From 622b71d0bad58ec26830b6f6327e1f0aae946449 Mon Sep 17 00:00:00 2001 From: Ye Luo Date: Fri, 15 Mar 2019 17:56:21 -0500 Subject: [PATCH 1/2] Add QE6.4 patch. --- .../add_pw2qmcpack_to_qe-6.4.diff | 2382 +++++++++++++++++ .../download_and_patch_qe6.4.sh | 61 + 2 files changed, 2443 insertions(+) create mode 100644 external_codes/quantum_espresso/add_pw2qmcpack_to_qe-6.4.diff create mode 100755 external_codes/quantum_espresso/download_and_patch_qe6.4.sh diff --git a/external_codes/quantum_espresso/add_pw2qmcpack_to_qe-6.4.diff b/external_codes/quantum_espresso/add_pw2qmcpack_to_qe-6.4.diff new file mode 100644 index 0000000000..5059effbea --- /dev/null +++ b/external_codes/quantum_espresso/add_pw2qmcpack_to_qe-6.4.diff @@ -0,0 +1,2382 @@ +diff -W 205 -urN qe-6.4_original/clib/esh5_interfaces.c qe-6.4_updated/clib/esh5_interfaces.c +--- qe-6.4_original/clib/esh5_interfaces.c 1969-12-31 18:00:00.000000000 -0600 ++++ qe-6.4_updated/clib/esh5_interfaces.c 2019-03-04 13:29:02.000000000 -0600 +@@ -0,0 +1,962 @@ ++/* ++ * Copyright (C) 2004 PWSCF group ++ * Copyright (C) 2007 QMCPACK developers ++ * ++ * @author Jeongnim Kim http://www.mcc.uiuc.edu/qmcpack/ ++ * @brief Implements generic hdf5 interfaces for plane wave codes and qmcpack ++ * ++ * - esh5_open_file: open hdf5 file ++ * - esh5_close_file : close hdf5 file ++ * - esh5_open_eigg : open eigenstates ++ * - esh5_close_eigg : close eigenstates ++ * - esh5_open_eigr : open eigenstates_nx_ny_nz ++ * - esh5_close_eigr : close eigenstates_nx_ny_nz ++ * ++ */ ++ ++#if defined(__HDF5) || defined(__HDF5_C) ++ ++#include ++#include ++#include ++#include ++#include ++#include ++#include ++#include "hdf5.h" ++#include "hdf5_hl.h" ++ ++#define F77_FUNC_(name,NAME) name ## _ ++ ++/* file handler */ ++static hid_t h_file=-1; ++/* handler for electrons or atoms*/ ++static hid_t h_ptcls=-1; ++/* kpoint handler */ ++static hid_t h_kpoint=-1; ++/* spin handler */ ++static hid_t h_spin=-1; ++/* density handler */ ++static hid_t h_density=-1; ++/* number of fft grid */ ++static int num_grid[3]; ++/* number of real-space grids */ ++static int h_ngridtot=0; ++/* check for gamma */ ++static int is_gamma=0; ++/* number of atoms */ ++static int num_atoms=0; ++/* number of atom species */ ++static int num_species=0; ++/* number of electrons */ ++static int num_els[2]; ++/* number of spin channels */ ++static int num_spins=1; ++/* number of kpoints */ ++static int num_kpoints=1; ++/* number of bands */ ++static int num_bands=0; ++/* number of gvectors */ ++static int num_gvectors=0; ++/* number of gvectors */ ++static int num_gvectors_max=0; ++/* igmapped */ ++static int *igmapped=0; ++/* current k-point */ ++static int kpoint_now=-1; ++/* is complex orbital */ ++static int psi_r_is_complex=1; ++/* append data */ ++static int append_h5=0; ++static int iteration=0; ++static H5E_auto_t err_func; ++static void *client_data=0; ++ ++ ++/** create a file and write version & application ++ * @param fname name of the output file ++ * @param length size of the file name ++ * ++ * h_file is initialized. ++ */ ++void F77_FUNC_(esh5_open_file,ESH5_OPEN_FILE)(const char* fname, const int* length, int* old) ++{ ++ H5Eget_auto (&err_func, &client_data); ++ H5Eset_auto (NULL, NULL); ++ ++ append_h5=*old; ++ ++ char * hfname = ( char * ) malloc( (*length) + 1 ) ; ++ memcpy( hfname , fname , *length ) ; ++ hfname[*length] = '\0' ; ++ ++ if(h_file>=0) H5Fclose(h_file); ++ h_file = H5Fopen(hfname,H5F_ACC_RDWR,H5P_DEFAULT); ++ if(h_file>=0) ++ { ++ // always delete the already existing file. ++ printf("esh5 destory the existing %s\n",hfname); ++ remove(hfname); ++ h_file=-1; ++ } ++ //if((append_h5)||(iteration)) ++ //{ ++ // printf("esh5 open existing %s\n",hfname); ++ // h_file = H5Fopen(hfname,H5F_ACC_RDWR,H5P_DEFAULT); ++ //} ++ if(h_file<0) ++ { ++ printf("esh5 create %s\n",hfname); ++ h_file = H5Fcreate(hfname,H5F_ACC_TRUNC,H5P_DEFAULT,H5P_DEFAULT); ++ /* impelements version 1.00 hdf5 format */ ++ int version[]={2,1,0}; ++ hsize_t dim=3; ++ herr_t ret=H5LTmake_dataset(h_file,"version",1,&dim,H5T_NATIVE_INT,version); ++ hsize_t ns=1; ++ { ++ hid_t strtype = H5Tcopy (H5T_C_S1); ++ ret = H5Tset_size (strtype, 7); /* create string of length 5 */ ++ ret=H5LTmake_dataset(h_file,"format",1,&ns,strtype,"ES-HDF"); ++ } ++ ++ hid_t h_app = H5Gcreate(h_file,"application",0); ++ { ++ hid_t strtype = H5Tcopy (H5T_C_S1); ++ ret = H5Tset_size (strtype, 8); /* create string of length 5 */ ++ ret=H5LTmake_dataset(h_app,"code",1,&ns,strtype,"espresso"); ++ } ++ version[0]=4; ++ version[2]=4; ++ ret=H5LTmake_dataset(h_app,"version",1,&dim,H5T_NATIVE_INT,version); ++ H5Gclose(h_app); ++ } ++ free(hfname); ++// iteration = iteration+1; ++} ++ ++void F77_FUNC_(esh5_close_file,ESH5_CLOSE_FILE)() ++{ ++ if(h_file>=0) H5Fclose(h_file); ++ h_file=-1; ++ H5Eset_auto (err_func, client_data); ++ ++ //clear the gmap ++ if(num_gvectors_max) free(igmapped); ++} ++ ++/** create electrons and create sub groups ++ * @param nels_up ++ * @param nels_down ++ * @param nspins number_of_spins ++ * @param nkpts number_of_kpoints ++ * @param nband number of electron states ++ * @param ngr 3D mesh ++ */ ++void F77_FUNC_(esh5_open_electrons,ESH5_OPEN_ELECTRONS) ++ ( const int* nels_up, const int* nels_down , const int* nspins ++ , const int* nkpts ,const int *nband , const int* ngr ++ ) ++{ ++ //save the values ++ num_els[0]=*nels_up; ++ num_els[1]=*nels_down; ++ num_spins=*nspins; ++ num_grid[0]=ngr[0]; ++ num_grid[1]=ngr[1]; ++ num_grid[2]=ngr[2]; ++ num_bands=*nband; ++ num_kpoints = *nkpts; ++ ++ h_ptcls = H5Gopen(h_file,"electrons"); ++ if(h_ptcls<0) ++ { ++// printf("Creating electrons\n"); ++ h_ptcls = H5Gcreate(h_file,"electrons",0); ++ ++ //save the number of up and down electrons ++ const hsize_t dim1=1; ++ const hsize_t dim2=2; ++ const hsize_t dim3=3; ++ herr_t ret=H5LTmake_dataset(h_ptcls,"number_of_electrons",1,&dim2,H5T_NATIVE_INT,num_els); ++ ret=H5LTmake_dataset(h_ptcls,"number_of_spins",1,&dim1,H5T_NATIVE_INT,nspins); ++ ret=H5LTmake_dataset(h_ptcls,"number_of_kpoints",1,&dim1,H5T_NATIVE_INT,nkpts); ++ //20110515 psi_r_mesh is used specially ++ //ret=H5LTmake_dataset(h_ptcls,"psi_r_mesh",1,&dim3,H5T_NATIVE_INT,ngr); ++ //ret=H5LTmake_dataset(h_ptcls,"psi_r_is_complex",1,&dim1,H5T_NATIVE_INT,is_complex); ++ ++ //create kpoint/spin/state groups ++// for(int ik=0; ik<*nkpts; ++ik) ++// { ++// char twistname[16]; ++// sprintf(twistname,"kpoint_%i",ik + *kstart); ++// hid_t h1 = H5Gcreate(h_ptcls,twistname,0); ++// for(int ispin=0; ispin= 0); ++} ++///* close kpoint */ ++void F77_FUNC_(esh5_close_kpoint,ESH5_CLOSE_KPOINT)() ++{ ++ H5Gclose(h_kpoint); ++} ++ ++ ++/* write kpoint data */ ++void F77_FUNC_(esh5_write_kpoint_data,ESH5_WRITE_KPOINT_DATA) ++(const double* xk, const double* wgt, const int* ngk_g, const int* irrep, const int* nrelated) ++// (const double* xk, const double* wgt, const int* ngk_g, const hsize_t* gints) ++{ ++ hsize_t dim3=3; ++ hsize_t dim1=1; ++ hsize_t dim_g[2]; ++ dim_g[0] = *ngk_g; ++ dim_g[1] = 3; ++ ++ herr_t ret=H5LTmake_dataset(h_kpoint,"reduced_k",1,&dim3,H5T_NATIVE_DOUBLE,xk); ++ ret=H5LTmake_dataset(h_kpoint,"weight",1,&dim1,H5T_NATIVE_DOUBLE,wgt); ++ ret=H5LTmake_dataset(h_kpoint,"symgroup",1,&dim1,H5T_NATIVE_INT,irrep); ++ ret=H5LTmake_dataset(h_kpoint,"numsym",1,&dim1,H5T_NATIVE_INT,nrelated); ++//DO NOT WRITE THESE YET: 20110515 ++//20110515 ret=H5LTmake_dataset(h_kpoint,"number_of_gvectors",1,&dim1,H5T_NATIVE_INT,ngk_g); ++//20110515 ret=H5LTmake_dataset(h_kpoint,"gvectors",2,dim_g,H5T_NATIVE_INT, gints); ++} ++ ++/** open spin ++ * @param ispin the sin index ++ */ ++void F77_FUNC_(esh5_open_spin,ESH5_OPEN_SPIN)(const int* ispin) ++{ ++ char sname[32]; ++ sprintf(sname,"spin_%i",(*ispin)-1); ++ h_spin=H5Gopen(h_kpoint,sname); ++ if (h_spin < 0) { ++// fprintf (stderr, "Creating %s\n", sname); ++ h_spin=H5Gcreate(h_kpoint,sname,0); ++ for(int ib=0; ib= 0); ++} ++ ++/* close kpoint */ ++void F77_FUNC_(esh5_close_spin,ESH5_CLOSE_SPIN)() ++{ ++ H5Gclose(h_spin); ++} ++ ++ ++/* write eigen values ++ * @param ispin spin index ++ * @param eigval eigen values ++ * @param nband number of bans ++ */ ++void F77_FUNC_(esh5_write_eigvalues,ESH5_WRITE_EIGVALUES)(const double* eigval) ++{ ++ hsize_t dim3=(hsize_t)num_bands; ++ herr_t ret=H5LTmake_dataset(h_spin,"eigenvalues",1,&dim3,H5T_NATIVE_DOUBLE,eigval); ++ H5Fflush(h_spin,H5F_SCOPE_GLOBAL); ++ //assert (ret >= 0); ++} ++ ++ ++ ++/* write eigen value and eigen vector for (ibnd, ispin) */ ++void F77_FUNC_(esh5_write_psi_g,ESH5_WRITE_PSI_G)(const int* ibnd ++ , const double* eigv, const int* ngtot ++ ) ++{ ++ char aname[64]; ++ sprintf(aname,"state_%i/psi_g",(*ibnd)-1); ++ hsize_t dims[2]; ++ dims[0] = (hsize_t)*ngtot; ++ dims[1] = 2; ++ // fprintf(stderr, "aname = %s ", aname); ++ // fprintf (stderr, " ngtot = %d\n", *ngtot); ++ herr_t ret=H5LTmake_dataset(h_spin,aname,2,dims,H5T_NATIVE_DOUBLE,eigv); ++ //assert (ret >= 0); ++} ++ ++/* write eigen value and eigen vector for (ibnd, ispin) */ ++void F77_FUNC_(esh5_write_psi_r,ESH5_WRITE_PSI_R)(const int* ibnd ++ , const double* eigr, const int* use_complex ++ ) ++{ ++ static int first_time=1; ++ //need to flag this if they are not the same ++ psi_r_is_complex=*use_complex; ++ char aname[64]; ++ sprintf(aname,"state_%i/psi_r",(*ibnd)-1); ++ hsize_t dims_out=(hsize_t)(psi_r_is_complex)?4:3; ++ hsize_t dims[4],dim1=1; ++ dims[0] = num_grid[0]; ++ dims[1] = num_grid[1]; ++ dims[2] = num_grid[2]; ++ dims[3] = 2; ++ herr_t ret=H5LTmake_dataset(h_spin,aname,dims_out,dims,H5T_NATIVE_DOUBLE,eigr); ++ if(first_time) ++ { ++ first_time=0; ++ hid_t pid=H5Dopen(h_ptcls,"psi_r_is_complex"); ++ if(pid<0) ++ ret=H5LTmake_dataset(h_ptcls,"psi_r_is_complex",1,&dim1,H5T_NATIVE_INT,&psi_r_is_complex); ++ else ++ ret = H5Dwrite(pid, H5T_NATIVE_INT, H5S_ALL, H5S_ALL, H5P_DEFAULT,&psi_r_is_complex); ++ } ++} ++ ++ ++/** open density group and write its grid properties ++ * @param gint G in reduced coordinates ++ * @param ngm number of g vectors ++ * @param nr1s grid of the first direction ++ * @param nr2s grid of the second direction ++ * @param nr3s grid of the third direction ++ * ++ * The ordering of gvectors is handled by pwscf. ++ */ ++void F77_FUNC_(esh5_open_density,ESH5_OPEN_DENSITY)(const int* gint ++ , const int* ngm, int *nr1s, int *nr2s, int *nr3s) ++{ ++ num_grid[0]=*nr1s; ++ num_grid[1]=*nr2s; ++ num_grid[2]=*nr3s; ++ num_gvectors=*ngm; ++ ++ h_density = H5Gcreate(h_ptcls,"density",0); ++ hsize_t dim3=3; ++ herr_t ret=H5LTmake_dataset(h_density,"mesh",1,&dim3,H5T_NATIVE_INT,num_grid); ++ ++ // { ++ // int *ig=(int*)malloc(3*num_gvectors*sizeof(int)); ++ // for(int i=0,i3=0; i= 0); ++ // free(ig); ++ // } ++ hsize_t gdims[2]; ++ gdims[0] = (hsize_t)num_gvectors; ++ gdims[1] = (hsize_t)3; ++ ret=H5LTmake_dataset(h_density,"gvectors",2,gdims,H5T_NATIVE_INT,gint); ++ ++ hsize_t dim1=1; ++ ret=H5LTmake_dataset(h_density,"number_of_gvectors",1, ++ &dim1,H5T_NATIVE_INT,ngm); ++} ++ ++/** open density group and write its grid properties ++ * @param nr1s grid of the first direction ++ * @param nr2s grid of the second direction ++ * @param nr3s grid of the third direction ++ */ ++void F77_FUNC_(esh5_open_density_r,ESH5_OPEN_DENSITY_R)(int *nr1s, int *nr2s, int *nr3s ++ ) ++{ ++ printf("ARE YOU GONE MAD \n"); ++ num_grid[0]=*nr1s; ++ num_grid[1]=*nr2s; ++ num_grid[2]=*nr3s; ++ ++ h_density = H5Gcreate(h_ptcls,"density",0); ++ hsize_t dim3=3; ++ herr_t ret=H5LTmake_dataset(h_density,"mesh",1,&dim3,H5T_NATIVE_INT,num_grid); ++} ++ ++void F77_FUNC_(esh5_close_density,ESH5_CLOSE_DENSITY)() ++{ ++ H5Gclose(h_density); ++} ++ ++/* write eigen value and eigen vector for (ibnd, ispin) */ ++void F77_FUNC_(esh5_write_density_r,ESH5_WRITE_DENSITY_R)(const int* ispin,const double* rho) ++{ ++ char aname[8]; ++ sprintf(aname,"spin_%i",(*ispin)-1); ++ /*hid_t h2 = H5Gcreate(h_density,aname,0);*/ ++ hid_t h2 = H5Gopen(h_density,aname); ++ /* write eigenvector */ ++ hsize_t dims[3]; ++ for(int i=0; i<3; ++i) dims[i] = num_grid[i]; ++ herr_t ret=H5LTmake_dataset(h2,"density_r",3,dims,H5T_NATIVE_DOUBLE,rho); ++ H5Gclose(h2); ++} ++ ++void F77_FUNC_(esh5_write_density_g,ESH5_WRITE_DENSITY_G) ++ (const int* ispin , const double* rhog) ++{ ++ char aname[8]; ++ sprintf(aname,"spin_%i",(*ispin)-1); ++ /*hid_t h2 = H5Gopen(h_density,aname);*/ ++ hid_t h2 = H5Gcreate(h_density,aname,0); ++ hsize_t dims_g[2]; ++ dims_g[0]=num_gvectors; ++ dims_g[1]=2; ++ herr_t ret=H5LTmake_dataset(h2,"density_g",2,dims_g,H5T_NATIVE_DOUBLE,rhog); ++ H5Gclose(h2); ++} ++ ++/** write basisset: number of plane waves, plane wave coefficients ++ */ ++ void F77_FUNC_(esh5_write_gvectors,ESH5_WRITE_GVECTORS) ++(const int* restrict itmp, const int* restrict igwk, int* ngk_g) ++{ ++ ++ int ngtot=*ngk_g; ++ ++ //printf("esh5_write_gvectors number_of_gvectors %d\n",ngtot); ++ ++ if(ngtot>num_gvectors_max) ++ { ++ //free the space ++ if(num_gvectors_max) free(igmapped); ++ num_gvectors_max=ngtot; ++ igmapped=(int*)malloc(3*ngtot*sizeof(int)); ++ } ++ ++ for(int ig=0,i3=0; ig=0) H5Gclose(h_main); ++// h_main = H5Gcreate(h_file,"electrons",0); ++// //h_main = H5Gcreate(h_file,"eigenstates",0); ++//} ++// ++///* close eigenstates */ ++//void F77_FUNC_(esh5_close_eigg,ESH5_CLOSE_EIGG)() ++//{ ++// if(h_main>=0) H5Gclose(h_main); ++// h_main=-1; ++//} ++ ++void F77_FUNC_(esh5_write_rho,ESH5_WRITE_RHO)(const double* rho, const double* rhog, const int* ngm) ++{ ++ hid_t h1 = H5Gcreate(h_ptcls,"density",0); ++ ++ hsize_t dim3=3; ++ herr_t ret=H5LTmake_dataset(h1,"mesh",1,&dim3,H5T_NATIVE_INT,num_grid); ++ ++ hid_t h2 = H5Gcreate(h1,"spin_0",0); ++ /* write eigenvector */ ++ hsize_t dims[3]; ++ dims[0] = num_grid[0]; ++ dims[1] = num_grid[1]; ++ dims[2] = num_grid[2]; ++ ++ ret=H5LTmake_dataset(h2,"density_r",3,dims,H5T_NATIVE_DOUBLE,rho); ++ hsize_t dims_g[2]; ++ dims_g[0]=*ngm; ++ dims_g[1]=2; ++ ret=H5LTmake_dataset(h2,"density_g",1,dims_g,H5T_NATIVE_DOUBLE,rhog); ++ H5Gclose(h2); ++ H5Gclose(h1); ++ /* ++ hsize_t gdims[2]; ++ gdims[0]=ngm; ++ gdims[1]=2; ++ dataspace = H5Screate_simple(2, gdims, NULL); ++ dataset = H5Dcreate(h_file, "chargedensity_g", H5T_NATIVE_DOUBLE, dataspace, H5P_DEFAULT); ++ ret = H5Dwrite(dataset, H5T_NATIVE_DOUBLE, H5S_ALL, H5S_ALL, H5P_DEFAULT,rhog); ++ H5Sclose(dataspace); ++ H5Dclose(dataset); ++ */ ++ ++ /* testing with paraview/vtk ++ if(is_gamma) ++ { ++ char vtkname[32]; ++ sprintf(vtkname,"band%i.vtk",(*ibnd)-1); ++ FILE *vtk=fopen(vtkname,"w"); ++ ++ fprintf(vtk,"# vtk DataFile Version 3.0\n"); ++ fprintf(vtk,"vtk output\n"); ++ fprintf(vtk,"ASCII\n"); ++ fprintf(vtk,"DATASET STRUCTURED_POINTS\n"); ++ fprintf(vtk,"DIMENSIONS %i %i %i\n",h_ngrid[0],h_ngrid[1],h_ngrid[2]); ++ fprintf(vtk,"ORIGIN 0 0 0\n"); ++ fprintf(vtk,"SPACING 1 1 1\n"); ++ fprintf(vtk,"\nPOINT_DATA %i\n",h_ngridtot); ++ fprintf(vtk,"SCALARS scalars float\n"); ++ fprintf(vtk,"LOOKUP_TABLE default\n"); ++ ++ for(int i=0,i2=0; i=0) H5Fclose(h_file); ++ ++ h_file = H5Fopen(hfname,H5F_ACC_RDWR,H5P_DEFAULT); ++ h_ptcls = H5Gopen(h_file,"electrons"); ++ if (h_ptcls<0) ++ { ++ printf("Something is wrong %s\n", hfname); ++ return; ++ } ++ ++ // go through each pool and copy the datasets over in the right places ++ for( int i=1;i< *npools;i++) ++ { ++ char name2[*length+10]; ++ int len2=0; ++ len2 = sprintf(name2,"%s_part%u",hfname,i); ++ ++ char * othername = ( char * ) malloc( (len2) + 1 ) ; ++ memcpy( othername , name2 , len2 ) ; ++ othername[len2] = '\0' ; ++ ++// printf("%s %s",name2,othername); ++ ++ hid_t h_file2 = H5Fopen(othername,H5F_ACC_RDONLY,H5P_DEFAULT); ++ hid_t h_ptcls2 = H5Gopen(h_file2,"electrons"); ++ ++ if(h_ptcls2 < 0) ++ { ++ printf("WHOAAA!!! No electrons?!"); ++ return; ++ } ++ else ++ { ++ // create kpoint/spin/state groups ++ for(int ik=0; ik=0) H5Fclose(h_file2); ++ remove(othername); ++ } ++ H5Gclose(h_ptcls); ++ if(h_file>=0) H5Fclose(h_file); ++ h_file=-1; ++ H5Eset_auto (err_func, client_data); ++} ++ ++#endif +diff -W 205 -urN qe-6.4_original/clib/make.depend qe-6.4_updated/clib/make.depend +--- qe-6.4_original/clib/make.depend 2019-03-04 07:51:39.000000000 -0600 ++++ qe-6.4_updated/clib/make.depend 2019-03-04 13:29:02.000000000 -0600 +@@ -1,3 +1,4 @@ + md5.o : + md5_from_file.o : + memstat.o : ../include/c_defs.h ++esh5_interfaces.o : ../include/c_defs.h +diff -W 205 -urN qe-6.4_original/clib/Makefile qe-6.4_updated/clib/Makefile +--- qe-6.4_original/clib/Makefile 2019-03-04 07:51:39.000000000 -0600 ++++ qe-6.4_updated/clib/Makefile 2019-03-04 13:29:02.000000000 -0600 +@@ -16,14 +16,18 @@ + ptrace.o \ + sockets.o \ + qmmm_aux.o \ +-qsort.o ++qsort.o \ ++esh5_interfaces.o + + all : clib.a + +-clib.a : $(OBJS) ++clib.a : $(OBJS) + $(AR) $(ARFLAGS) $@ $? + $(RANLIB) $@ + ++esh5_interfaces.o : esh5_interfaces.c ++ $(CC) -std=c99 $(CFLAGS) -c $< ++ + source : + co -l $(OBJS:.o=.c) + +diff -W 205 -urN qe-6.4_original/install/configure qe-6.4_updated/install/configure +--- qe-6.4_original/install/configure 2019-03-04 07:51:39.000000000 -0600 ++++ qe-6.4_updated/install/configure 2019-03-04 13:29:02.000000000 -0600 +@@ -9659,10 +9659,10 @@ + hdf5_libs=`$with_hdf5_path/bin/h5fc -show | awk -F'-L' '{$1="";$2="-L"$2; print $0}'` + try_dflags="$try_dflags -D__HDF5_SERIAL" + else +- hdf5_libs="-L$with_hdf5_path/lib -lhdf5_fortran -lhdf5 -lrt -lz -ldl -lm -Wl,-rpath -Wl,$with_hdf5_path/lib" ++ hdf5_libs="-L$with_hdf5_path/lib -lhdf5_fortran -lhdf5_hl -lhdf5 -lrt -lz -ldl -lm -Wl,-rpath -Wl,$with_hdf5_path/lib" + fi + try_iflags="$try_iflags -I$with_hdf5_path/include" +- try_dflags="$try_dflags -D__HDF5" ++ try_dflags="$try_dflags -D__HDF5 -DH5_USE_16_API" + fi + + hdf5_line="HDF5_LIBS=$hdf5_libs" +diff -W 205 -urN qe-6.4_original/PP/src/Makefile qe-6.4_updated/PP/src/Makefile +--- qe-6.4_original/PP/src/Makefile 2019-03-04 07:51:39.000000000 -0600 ++++ qe-6.4_updated/PP/src/Makefile 2019-03-04 13:29:02.000000000 -0600 +@@ -63,7 +63,7 @@ + plan_avg.x plotband.x plotproj.x plotrho.x pmw.x pp.x projwfc.x \ + pawplot.x sumpdos.x pw2wannier90.x pw2critic.x pw2gw.x \ + wannier_ham.x wannier_plot.x molecularpdos.x \ +- pw2bgw.x wfck2r.x fermi_velocity.x fermi_proj.x ppacf.x ++ pw2bgw.x wfck2r.x fermi_velocity.x fermi_proj.x ppacf.x pw2qmcpack.x + + + libpp.a : $(PPOBJS) +@@ -205,6 +205,11 @@ + fermisurface.o libpp.a $(MODULES) $(LIBOBJS) $(QELIBS) + - ( cd ../../bin ; ln -fs ../PP/src/$@ . ) + ++pw2qmcpack.x : pw2qmcpack.o libpp.a $(MODULES) $(LIBOBJS) ++ $(LD) $(LDFLAGS) -o $@ \ ++ pw2qmcpack.o libpp.a $(MODULES) $(LIBOBJS) $(QELIBS) ++ - ( cd ../../bin ; ln -fs ../PP/src/$@ . ) ++ + tldeps : + if test -n "$(TLDEPS)" ; then \ + ( cd ../.. ; $(MAKE) $(TLDEPS) || exit 1 ) ; fi +diff -W 205 -urN qe-6.4_original/PP/src/pw2qmcpack.f90 qe-6.4_updated/PP/src/pw2qmcpack.f90 +--- qe-6.4_original/PP/src/pw2qmcpack.f90 1969-12-31 18:00:00.000000000 -0600 ++++ qe-6.4_updated/PP/src/pw2qmcpack.f90 2019-03-04 13:29:02.000000000 -0600 +@@ -0,0 +1,1340 @@ ++! ++! Copyright (C) 2004 PWSCF group ++! This file is distributed under the terms of the ++! GNU General Public License. See the file `License' ++! in the root directory of the present distribution, ++! or http://www.gnu.org/copyleft/gpl.txt . ++! ++!----------------------------------------------------------------------- ++PROGRAM pw2qmcpack ++ !----------------------------------------------------------------------- ++ ++ ! This subroutine writes the file "prefix".pwscf.xml and "prefix".pwscf.h5 ++ ! containing the plane wave coefficients and other stuff needed by QMCPACK. ++ ++ USE io_files, ONLY : nd_nmbr, prefix, tmp_dir ++ USE io_global, ONLY : stdout, ionode, ionode_id ++ USE mp, ONLY : mp_bcast ++ USE mp_global, ONLY : mp_startup, npool, nimage, nproc_pool, nproc_file, nproc_pool_file ++ USE control_flags, ONLY : gamma_only ++ USE mp_world, ONLY : world_comm, nproc ++ USE environment,ONLY : environment_start, environment_end ++ USE KINDS, ONLY : DP ++ ! ++ IMPLICIT NONE ++ INTEGER :: ios ++ LOGICAL :: write_psir, expand_kp, debug ++ REAL(DP) :: t1, t2, dt ++ ! directory for temporary files ++ CHARACTER(len=256) :: outdir ++ ! ++ CHARACTER(LEN=256), EXTERNAL :: trimcheck ++ ++ NAMELIST / inputpp / prefix, outdir, write_psir, expand_kp, debug ++#ifdef __MPI ++ CALL mp_startup ( ) ++#endif ++ ++ CALL environment_start ( 'pw2qmcpack' ) ++#if defined(__HDF5) || defined(__HDF5_C) ++ IF ( nimage > 1) & ++ CALL errore('pw2qmcpack', ' image parallelization not (yet) implemented', 1) ++ ++ ! CALL start_postproc(nd_nmbr) ++ ! ++ ! set default values for variables in namelist ++ ! ++ prefix = 'pwscf' ++ write_psir = .false. ++ expand_kp = .false. ++ debug = .false. ++ CALL get_environment_variable( 'ESPRESSO_TMPDIR', outdir ) ++ IF ( TRIM( outdir ) == ' ' ) outdir = './' ++ ios = 0 ++ IF ( ionode ) THEN ++ ! ++ CALL input_from_file ( ) ++ !READ (5, inputpp, err=200, iostat=ios) ++ READ (5, inputpp, iostat=ios) ++ tmp_dir = trimcheck (outdir) ++ ! ++ END IF ++ CALL mp_bcast( ios, ionode_id, world_comm ) ++ IF ( ios/=0 ) CALL errore('pw2qmcpack', 'reading inputpp namelist', ABS(ios)) ++ ! ++ ! ... Broadcast variables ++ ! ++ CALL mp_bcast(prefix, ionode_id, world_comm ) ++ CALL mp_bcast(tmp_dir, ionode_id, world_comm ) ++ CALL mp_bcast(write_psir, ionode_id, world_comm ) ++ CALL mp_bcast(expand_kp, ionode_id, world_comm ) ++ CALL mp_bcast(debug, ionode_id, world_comm ) ++ ! ++ CALL start_clock ( 'read_file' ) ++ CALL read_file ++ CALL stop_clock ( 'read_file' ) ++ IF ( gamma_only ) & ++ CALL errore('pw2qmcpack', 'Using gamma trick results a reduced G space that is not supported by QMCPACK & ++ & though pw2qmcpack itself still can convert the WF to an h5 file in this case (experts only). & ++ & Please run pw.x with k point 0.0 0.0 0.0 instead of gamma.',1) ++ ! ++ CALL openfil_pp ++ ! ++ CALL start_clock ( 'compute_qmcpack' ) ++ CALL compute_qmcpack(write_psir, expand_kp, debug) ++ CALL stop_clock ( 'compute_qmcpack' ) ++ ! ++ IF ( ionode ) THEN ++ WRITE( 6, * ) ++ ! ++ CALL print_clock( 'read_file_lite' ) ++ CALL print_clock( 'compute_qmcpack' ) ++ ! ++ WRITE( 6, '(/5x,"Called by read_file_lite:")' ) ++ CALL print_clock ( 'read_pseudo' ) ++ CALL print_clock ( 'read_rho' ) ++ CALL print_clock ( 'fft_rho' ) ++ CALL print_clock ( 'read_wave' ) ++ ! ++ WRITE( 6, '(/5x,"Called by compute_qmcpack:")' ) ++ CALL print_clock ( 'big_loop' ) ++ CALL print_clock ( 'write_h5' ) ++ CALL print_clock ( 'glue_h5' ) ++ ENDIF ++#else ++#error HDF5 flag neither enabled during configure nor added manually in make.inc ++ CALL errore('pw2qmcpack', ' HDF5 flag not enabled during configure',1) ++#endif ++ CALL environment_end ( 'pw2qmcpack' ) ++ CALL stop_pp ++ STOP ++ ++ ++ ++END PROGRAM pw2qmcpack ++ ++SUBROUTINE check_norm(ng, eigvec, collect_intra_pool, jks, ibnd, tag) ++ USE mp_pools, ONLY: me_pool, intra_pool_comm ++ USE mp, ONLY: mp_sum ++ USE KINDS, ONLY: DP ++ ! ++ IMPLICIT NONE ++ ! ++ COMPLEX(DP), INTENT(IN) :: eigvec(ng) ++ INTEGER, INTENT(IN) :: ng, jks, ibnd ++ LOGICAL, INTENT(IN) :: collect_intra_pool ++ CHARACTER(len=*), INTENT(IN) :: tag ++ ! ++ INTEGER :: ig ++ REAL(DP) :: total_norm ++ ! ++ ! check normalization before writing h5 ++ total_norm = 0.d0 ++ !$omp parallel do reduction(+:total_norm) ++ DO ig=1, ng ++ total_norm = total_norm + eigvec(ig)*CONJG(eigvec(ig)) ++ ENDDO ++ ! collect within a pool ++ IF(collect_intra_pool) CALL mp_sum ( total_norm , intra_pool_comm ) ++ ! compute the norm ++ total_norm = SQRT(total_norm) ++ ! check abort if necessary ++ IF (me_pool==0 .AND. ABS(total_norm-1.d0)>1.d-6) THEN ++ WRITE(*,"(A,I3,A,I3,3A,F20.15)") "The wrong norm of k-point ", jks, " band ", ibnd, " , ", & ++ tag, ", is ", total_norm ++ IF (.NOT. collect_intra_pool) THEN ++ WRITE(*,"(3A)") "The orbitals went wrong before being written to h5 file. ", & ++ "Please first add debug=.true. in the pw2qmcpack input file to check ", & ++ "if the orbitals can be read from QE files correctly." ++ ELSE ++ WRITE(*,"(2A)") "The orbitals read from QE files are incorrect. ", & ++ "Perhaps your QE orbital files are corrupted." ++ ENDIF ++ STOP ++ ENDIF ++ ! ++END SUBROUTINE ++ ++SUBROUTINE compute_qmcpack(write_psir, expand_kp, debug) ++ ++ USE kinds, ONLY: DP ++ USE ions_base, ONLY : nat, ntyp => nsp, ityp, tau, zv, atm ++ USE cell_base, ONLY: omega, alat, tpiba2, at, bg ++ USE constants, ONLY: tpi ++ USE run_info, ONLY: title ++ USE gvect, ONLY: ngm, ngm_g, g, ig_l2g ++ USE klist , ONLY: nks, nelec, nelup, neldw, wk, xk, nkstot ++ USE lsda_mod, ONLY: lsda, nspin, isk ++ USE scf, ONLY: rho, rho_core, rhog_core, vnew ++ USE wvfct, ONLY: npw, npwx, nbnd, g2kin, wg, et ++ USE klist, ONLY: igk_k ++ USE gvecw, ONLY : ecutwfc ++ USE control_flags, ONLY: gamma_only ++ USE becmod, ONLY: becp, calbec, allocate_bec_type, deallocate_bec_type ++ USE io_global, ONLY: stdout, ionode, ionode_id ++ USE mp_world, ONLY: world_comm, mpime ++ USE io_files, ONLY: nd_nmbr, nwordwfc, iunwfc, iun => iunsat, tmp_dir, prefix ++ USE wavefunctions, ONLY : evc, psic ++ use iotk_module ++ use iotk_xtox_interf ++ USE mp_global, ONLY: inter_pool_comm, intra_pool_comm, nproc_pool, kunit ++ USE mp_global, ONLY: npool, my_pool_id, intra_image_comm ++ USE mp_pools, ONLY: me_pool ++ USE mp, ONLY: mp_sum, mp_max, mp_bcast, mp_barrier ++ use scatter_mod, ONLY : gather_grid, scatter_grid ++ use fft_base, ONLY : dffts ++ use fft_interfaces, ONLY : invfft, fwfft ++ USE dfunct, ONLY : newd ++ USE symm_base, ONLY : nsym, s, ftau ++ ++ IMPLICIT NONE ++ LOGICAL :: write_psir, expand_kp, debug ++ LOGICAL :: pool_ionode ++ INTEGER :: ig, ibnd, ik, io, na, j, ispin, nbndup, nbnddown, & ++ nk, ngtot, ig7, ikk, iks, kpcnt, jks, nt, ijkb0, ikb, ih, jh, jkb, at_num, & ++ nelec_tot, nelec_up, nelec_down, ii, igx, igy, igz, n_rgrid(3), & ++ nkqs, nr1s,nr2s,nr3s ++ INTEGER, ALLOCATABLE :: indx(:), igtog(:), igtomin(:), g_global_to_local(:) ++ LOGICAL :: exst, found ++ REAL(DP) :: ek, eloc, enl, charge, etotefield ++ REAL(DP) :: bg_qmc(3,3), g_red(3), lattice_real(3,3) ++ COMPLEX(DP), ALLOCATABLE :: phase(:),eigpacked(:) ++ COMPLEX(DP), ALLOCATABLE :: psitr(:) ++ REAL(DP), ALLOCATABLE :: tau_r(:,:),psireal(:),eigval(:) !,g_cart(:,:) ++ INTEGER :: ios, ierr, h5len,oldh5,ig_c,save_complex, nup,ndown ++ INTEGER, EXTERNAL :: atomic_number, is_complex ++ !REAL(DP), ALLOCATABLE :: g_qmc(:,:) ++ INTEGER, ALLOCATABLE :: gint_den(:,:), gint_qmc(:,:) ++ COMPLEX(DP), ALLOCATABLE :: den_g_global(:,:) ++ REAL (DP), EXTERNAL :: ewald ++ COMPLEX(DP), ALLOCATABLE, TARGET :: tmp_psic(:) ++ COMPLEX(DP), DIMENSION(:), POINTER :: psiCptr ++ REAL(DP), DIMENSION(:), POINTER :: psiRptr ++! ********************************************************************** ++ INTEGER :: npw_sym ++ INTEGER, ALLOCATABLE, TARGET :: igk_sym(:) ++ REAL(DP), ALLOCATABLE :: g2kin_sym(:) ++! ********************************************************************** ++ INTEGER :: nkfull,max_nk,max_sym,isym,nxxs ++ INTEGER , ALLOCATABLE :: num_irrep(:) ++ INTEGER, ALLOCATABLE :: xkfull_index(:,:) ! maps to sym_list and xk_full_list ++ INTEGER, ALLOCATABLE :: sym_list(:) ++ REAL(DP), ALLOCATABLE :: xk_full_list(:,:) ++ REAL(DP) :: t1, t2, dt ++ integer, allocatable :: rir(:) ++ COMPLEX(DP), ALLOCATABLE :: tmp_evc(:) ++ ++ CHARACTER(256) :: tmp,h5name,eigname,tmp_combo ++ CHARACTER(iotk_attlenx) :: attr ++ ++ INTEGER :: rest, nbase, basekindex, nktot ++ REAL(DP) :: xk_cryst(3) ++ ++ INTEGER :: npwx_tot, igk_g; ++ ++ NULLIFY(psiRptr) ++ NULLIFY(psiCptr) ++ ++ ! Ye Luo ++ ! define the pool level ionode ++ ! an image ionode must be pool ionode ++ if(me_pool==0) then ++ pool_ionode=.true. ++ else ++ pool_ionode=.false. ++ endif ++ ++ ! MAMorales: ++ ! removed USPP functions ++ ++ ! Ye Luo: ++ ! sum up npwx to npwx_tot inside a pool and maximize it among pools. ++ npwx_tot = npwx ++ CALL mp_sum ( npwx_tot, intra_pool_comm ) ++ CALL mp_max ( npwx_tot, inter_pool_comm ) ++ !write(*,*) mpime, ionode_id, npwx_tot, npw ++ ++ ! this limits independent definition of ecutrho to < 4*ecutwf ++ ! four times npwx should be enough ++ ALLOCATE (indx (4*npwx_tot) ) ++ ALLOCATE (igtog (4*npwx_tot) ) ++ ALLOCATE (g_global_to_local(ngm_g) ) ++ ALLOCATE (igtomin(4*npwx_tot) ) ++ ALLOCATE (tmp_evc(npwx_tot) ) ++ ++ indx(:) = 0 ++ igtog(:) = 0 ++ igtomin(:) = 0 ++ ++ rest = ( nkstot - kunit * ( nkstot / kunit / npool ) * npool ) / kunit ++ nbase = nks * my_pool_id ++ IF ( ( my_pool_id + 1 ) > rest ) nbase = nbase + rest * kunit ++ !write(*,*) "debug",mpime, nks, nbase ++ ++ IF( lsda ) THEN ++! IF( expand_kp ) & ++! CALL errore ('pw2qmcpack','expand_kp not implemented with nspin>1`', 1) ++ nbndup = nbnd ++ nbnddown = nbnd ++ nk = nks/2 ++ nktot = nkstot/2 ++ ! nspin = 2 ++ ELSE ++ nbndup = nbnd ++ nbnddown = 0 ++ nk = nks ++ nktot = nkstot ++ ! nspin = 1 ++ ENDIF ++ ++! ! sanity check for lsda logic to follow ++! if (ionode) then ++! DO ik = 1, nktot ++! iks=ik+nktot ++! xk_cryst(:) = at(1,:)*xk(1,ik) + at(2,:)*xk(2,ik) + at(3,:)*xk(3,ik) - ( at(1,:)*xk(1,iks) + at(2,:)*xk(2,iks) + at(3,:)*xk(3,iks)) ++! if (abs(xk_cryst(1))+abs(xk_cryst(2))+abs(xk_cryst(3)) .gt. 1e-12) then ++! print *,"not paired %i %i",ik,iks ++! endif ++! ENDDO ++! endif ++ ++ ++ ! ++ ++ ! for now, I'm assuming that symmetry rotations do not affect npw, ++ ! meaning that rotations don't displace elements outside the cutoff ++ nr1s = dffts%nr1 ++ nr2s = dffts%nr2 ++ nr3s = dffts%nr3 ++ nxxs = dffts%nr1x * dffts%nr2x * dffts%nr3x ++ allocate (igk_sym( npwx ), g2kin_sym ( npwx ) ) ++ ++ if (ionode) then ++ if(expand_kp) then ++ max_sym = min(48, 2 * nsym) ++ max_nk = nktot * max_sym ++ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,max_sym),sym_list(max_nk)) ++ ALLOCATE(xk_full_list(3,max_nk)) ++ ALLOCATE(rir(nxxs)) ++ call generate_symmetry_equivalent_list() ++ if(ionode) print *,'Total number of k-points after expansion:',nkfull ++ else ++ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,1),sym_list(nktot)) ++ ALLOCATE(xk_full_list(3,nktot)) ++ nkfull = nktot ++ do ik = 1, nktot ++ xk_full_list(:,ik) = xk(:,ik) ++ num_irrep(ik) = 1 ++ sym_list(ik) = 1 ++ xkfull_index(ik,1) = ik ++ enddo ++ endif ++ else ++ if(expand_kp) then ++ max_sym = min(48, 2 * nsym) ++ max_nk = nktot * max_sym ++ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,max_sym),sym_list(max_nk)) ++ ALLOCATE(xk_full_list(3,max_nk)) ++ ALLOCATE(rir(nxxs)) ++ else ++ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,1),sym_list(nktot)) ++ ALLOCATE(xk_full_list(3,nktot)) ++ nkfull = nktot ++ endif ++ endif ++ ++ CALL mp_bcast(xkfull_index, ionode_id, world_comm ) ++ CALL mp_bcast(xk_full_list, ionode_id, world_comm ) ++ CALL mp_bcast(sym_list, ionode_id, world_comm ) ++ CALL mp_bcast(num_irrep, ionode_id, world_comm ) ++ CALL mp_bcast(nkfull, ionode_id, world_comm ) ++ ++ ! IF ( nbase > 0 ) THEN ++ ! num_irrep(1:nks) = num_irrep(nbase+1:nbase+nks) ++ ! xk_full_list(:,1:nks) = xk_full_list(:,nbase+1:nbase+nks) ++ ! END IF ++ ++ DO ik = 1, nks ++ basekindex = ik + nbase ++ CALL gk_sort (xk (1, basekindex), ngm, g, ecutwfc / tpiba2, npw, igk_k(:,ik), g2kin) ++ ++ DO ig =1, npw ++ ! mapping to the global g vectors. ++ igk_g = ig_l2g(igk_k(ig,ik)) ++ IF( igk_g > 4*npwx_tot ) & ++ CALL errore ('pw2qmcpack','increase allocation of index', ig) ++ indx( igk_g ) = 1 ++ ENDDO ++ ENDDO ++ call mp_max(indx, world_comm) ++ ++ ngtot = 0 ++ ! igtomin maps indices from the full set of G-vectors to the ++ ! minimal set which includes the G-spheres of all k-points ++ DO ig = 1, 4*npwx_tot ++ IF( indx(ig) > 0 ) THEN ++ ngtot = ngtot + 1 ++ igtog(ngtot) = ig ++ igtomin(ig) = ngtot ++ ENDIF ++ ENDDO ++ ++ if (debug) then ++ write(6,"(A)") " pw2qmcpack found" ++ write(6,"(A,A8,2A8,4A10,1A4)") " MPI rank", "pool id", "npwx", "npw", "npwx_tot", "ngtot", "ngm", "ngm_g", "nks" ++ write(*,"(A,I9,I8,2I8,4I10,1I4)") " ", mpime, me_pool, npwx, npw, npwx_tot, ngtot, ngm, ngm_g, nks ++ endif ++ ++ ALLOCATE (gint_qmc(3,ngtot)) ++ ALLOCATE (gint_den(3,ngm_g)) ++ ALLOCATE (den_g_global(ngm_g,nspin)) ++ !ALLOCATE (g_qmc(3,ngtot)) ++ !ALLOCATE (g_cart(3,ngtot)) ++ ALLOCATE (tau_r(3,nat)) ++ ++ ! get the number of electrons ++ nelec_tot= NINT(nelec) ++ nup=NINT(nelup) ++ ndown=NINT(neldw) ++ ++ if(nup .eq. 0) then ++ ndown=nelec_tot/2 ++ nup=nelec_tot-ndown ++ endif ++ ++ bg_qmc(:,:)=bg(:,:)/alat ++ ++ if((npool>1) .and. (my_pool_id>0)) then ++ h5name = TRIM( prefix ) // '.pwscf.h5' // "_part"//trim(iotk_itoa(my_pool_id)) ++ else ++ h5name = TRIM( prefix ) // '.pwscf.h5' ++ endif ++ eigname = "eigenstates_"//trim(iotk_itoa(nr1s))//'_'//trim(iotk_itoa(nr2s))//'_'//trim(iotk_itoa(nr3s)) ++ ++ tmp = TRIM( tmp_dir )//TRIM( h5name ) ++ h5len = LEN_TRIM(tmp) ++ ++#if defined(__HDF5) || defined(__HDF5_C) ++ ! writing to xml and hdf5 ++ ! open hdf5 file ++ oldh5=0 ++ if(pool_ionode) CALL esh5_open_file(tmp,h5len,oldh5) ++ ++ ++ if(ionode) then ++ !! create a file for particle set ++ tmp = TRIM( tmp_dir ) // TRIM( prefix )// '.ptcl.xml' ++ CALL iotk_open_write(iun, FILE=TRIM(tmp), ROOT="qmcsystem", IERR=ierr ) ++ ++ CALL iotk_write_attr (attr,"name","global",first=.true.) ++ CALL iotk_write_begin(iun, "simulationcell",ATTR=attr) ++ CALL iotk_write_attr (attr,"name","lattice",first=.true.) ++ CALL iotk_write_attr (attr,"units","bohr") ++ CALL iotk_write_begin(iun, "parameter",ATTR=attr) ++ ++ lattice_real=alat*at ++ WRITE(iun,100) lattice_real(1,1), lattice_real(2,1), lattice_real(3,1) ++ WRITE(iun,100) lattice_real(1,2), lattice_real(2,2), lattice_real(3,2) ++ WRITE(iun,100) lattice_real(1,3), lattice_real(2,3), lattice_real(3,3) ++ ++ CALL esh5_write_supercell(lattice_real) ++ ++ CALL iotk_write_end(iun, "parameter") ++ CALL iotk_write_attr (attr,"name","reciprocal",first=.true.) ++ CALL iotk_write_attr (attr,"units","2pi/bohr") ++ CALL iotk_write_begin(iun, "parameter",ATTR=attr) ++ WRITE(iun,100) bg_qmc(1,1), bg_qmc(2,1), bg_qmc(3,1) ++ WRITE(iun,100) bg_qmc(1,2), bg_qmc(2,2), bg_qmc(3,2) ++ WRITE(iun,100) bg_qmc(1,3), bg_qmc(2,3), bg_qmc(3,3) ++ CALL iotk_write_end(iun, "parameter") ++ ++ CALL iotk_write_attr (attr,"name","bconds",first=.true.) ++ CALL iotk_write_begin(iun, "parameter",ATTR=attr) ++ WRITE(iun,'(a)') 'p p p' ++ CALL iotk_write_end(iun, "parameter") ++ ++ CALL iotk_write_attr (attr,"name","LR_dim_cutoff",first=.true.) ++ CALL iotk_write_begin(iun, "parameter",ATTR=attr) ++ WRITE(iun,'(a)') '15' ++ CALL iotk_write_end(iun, "parameter") ++ CALL iotk_write_end(iun, "simulationcell") ++ ++ ! ++ CALL iotk_write_attr (attr,"name","ion0",first=.true.) ++ CALL iotk_write_attr (attr,"size",nat) ++ CALL iotk_write_begin(iun, "particleset",ATTR=attr) ++ ++ CALL esh5_open_atoms(nat,ntyp) ++ ++ ! ionic species --> group ++ DO na=1,ntyp ++ ++ tmp=TRIM(atm(na)) ++ h5len=LEN_TRIM(tmp) ++ CALL esh5_write_species(na,tmp,h5len,atomic_number(tmp),zv(na)) ++ ++ CALL iotk_write_attr (attr,"name",TRIM(atm(na)),first=.true.) ++ CALL iotk_write_begin(iun, "group",ATTR=attr) ++ ! charge ++ CALL iotk_write_attr (attr,"name","charge",first=.true.) ++ CALL iotk_write_begin(iun, "parameter",ATTR=attr) ++ write(iun,"(8X, F3.1)") zv(na) ++ CALL iotk_write_end(iun, "parameter") ++ ! atomic number ++ CALL iotk_write_attr (attr,"name","atomicnumber",first=.true.) ++ CALL iotk_write_begin(iun, "parameter",ATTR=attr) ++ write(iun,"(8X, I3)") atomic_number(TRIM(atm(na))) ++ CALL iotk_write_end(iun, "parameter") ++ ! ++ CALL iotk_write_end(iun, "group") ++ ENDDO ++ ++ ++ ! ++ CALL iotk_write_attr (attr,"name","ionid",first=.true.) ++ CALL iotk_write_attr (attr,"datatype","stringArray") ++ CALL iotk_write_begin(iun, "attrib",ATTR=attr) ++ write(iun,'(a)') (TRIM(atm(ityp(na))),na=1,nat) ++ CALL iotk_write_end(iun, "attrib") ++ ++ ! ++ CALL iotk_write_attr (attr,"name","position",first=.true.) ++ CALL iotk_write_attr (attr,"datatype","posArray") ++ CALL iotk_write_attr (attr,"condition","0") ++ CALL iotk_write_begin(iun, "attrib",ATTR=attr) ++ ! write in cartesian coordinates in bohr ++ ! problem with xyz ordering inrelation to real-space grid ++ DO na = 1, nat ++ tau_r(1,na)=alat*tau(1,na) ++ tau_r(2,na)=alat*tau(2,na) ++ tau_r(3,na)=alat*tau(3,na) ++ WRITE(iun,100) (tau_r(j,na),j=1,3) ++ ENDDO ++ !write(iun,100) tau ++ CALL iotk_write_end(iun, "attrib") ++ CALL iotk_write_end(iun, "particleset") ++ ++ !cartesian positions ++ CALL esh5_write_positions(tau_r) ++ CALL esh5_write_species_ids(ityp) ++ ++ CALL esh5_close_atoms() ++ ! ++ ++ ! ++ CALL iotk_write_attr (attr,"name","e",first=.true.) ++ CALL iotk_write_attr (attr,"random","yes") ++ CALL iotk_write_attr (attr,"random_source","ion0") ++ CALL iotk_write_begin(iun, "particleset",ATTR=attr) ++ ++ ! ++ CALL iotk_write_attr (attr,"name","u",first=.true.) ++ CALL iotk_write_attr (attr,"size",nup) ++ CALL iotk_write_begin(iun, "group",ATTR=attr) ++ CALL iotk_write_attr (attr,"name","charge",first=.true.) ++ CALL iotk_write_begin(iun, "parameter",ATTR=attr) ++ write(iun,*) -1 ++ CALL iotk_write_end(iun, "parameter") ++ CALL iotk_write_end(iun, "group") ++ ++ ! ++ CALL iotk_write_attr (attr,"name","d",first=.true.) ++ CALL iotk_write_attr (attr,"size",ndown) ++ CALL iotk_write_begin(iun, "group",ATTR=attr) ++ CALL iotk_write_attr (attr,"name","charge",first=.true.) ++ CALL iotk_write_begin(iun, "parameter",ATTR=attr) ++ write(iun,*) -1 ++ CALL iotk_write_end(iun, "parameter") ++ CALL iotk_write_end(iun, "group") ++ CALL iotk_write_end(iun, "particleset") ++ CALL iotk_close_write(iun) ++ ++ !! close the file ++ !!DO ik = 0, nk-1 ++ ik=0 ++ ! NOT create a xml input file for each k-point ++ ! IF(nk .gt. 1) THEN ++ ! tmp = TRIM( tmp_dir ) // TRIM( prefix ) //TRIM(iotk_index(ik))// '.wfs.xml' ++ ! ELSE ++ ! tmp = TRIM( tmp_dir ) // TRIM( prefix )// '.wfs.xml' ++ ! ENDIF ++ tmp = TRIM( tmp_dir ) // TRIM( prefix )// '.wfs.xml' ++ CALL iotk_open_write(iun, FILE=TRIM(tmp), ROOT="qmcsystem", IERR=ierr ) ++ ! ++ CALL iotk_write_attr (attr,"name","psi0",first=.true.) ++ CALL iotk_write_attr (attr,"target","e") ++ CALL iotk_write_begin(iun, "wavefunction",ATTR=attr) ++ write(iun,'(a)') ' ' ++ CALL iotk_write_attr (attr,"type","bspline",first=.true.) ++ CALL iotk_write_attr (attr,"href",TRIM(h5name)) ++ CALL iotk_write_attr (attr,"sort","1") ++ CALL iotk_write_attr (attr,"tilematrix","1 0 0 0 1 0 0 0 1") ++ CALL iotk_write_attr (attr,"twistnum","0") ++ CALL iotk_write_attr (attr,"source","ion0") ++ CALL iotk_write_attr (attr,"version","0.10") ++ CALL iotk_write_begin(iun, "determinantset",ATTR=attr) ++ CALL iotk_write_attr (attr,"ecut",ecutwfc/2,first=.true.) ++ ! basisset to overwrite cutoff to a smaller value ++ !CALL iotk_write_begin(iun, "basisset",ATTR=attr) ++ ! ! add grid to use spline on FFT grid ++ ! CALL iotk_write_attr (attr,"dir","0",first=.true.) ++ ! CALL iotk_write_attr (attr,"npts",nr1s) ++ ! CALL iotk_write_attr (attr,"closed","no") ++ ! CALL iotk_write_empty(iun, "grid",ATTR=attr) ++ ! CALL iotk_write_attr (attr,"dir","1",first=.true.) ++ ! CALL iotk_write_attr (attr,"npts",nr2s) ++ ! CALL iotk_write_attr (attr,"closed","no") ++ ! CALL iotk_write_empty(iun, "grid",ATTR=attr) ++ ! CALL iotk_write_attr (attr,"dir","2",first=.true.) ++ ! CALL iotk_write_attr (attr,"npts",nr3s) ++ ! CALL iotk_write_attr (attr,"closed","no") ++ ! CALL iotk_write_empty(iun, "grid",ATTR=attr) ++ !CALL iotk_write_end(iun, "basisset") ++ ++ !CALL iotk_write_attr (attr,"href",TRIM(h5name),first=.true.) ++ !CALL iotk_write_empty(iun, "coefficients",ATTR=attr) ++ ++ ! write the index of the twist angle ++ !!!! remove twistIndex and twistAngle ++ !using determinantset@twistnum ++ !CALL iotk_write_attr (attr,"name","twistIndex",first=.true.) ++ !CALL iotk_write_begin(iun, "h5tag",ATTR=attr) ++ !write(iun,*) ik ++ !CALL iotk_write_end(iun, "h5tag") ++ ++ !CALL iotk_write_attr (attr,"name","twistAngle",first=.true.) ++ !CALL iotk_write_begin(iun, "h5tag",ATTR=attr) ++ !g_red(1)=at(1,1)*xk(1,ik+1)+at(2,1)*xk(2,ik+1)+at(3,1)*xk(3,ik+1) ++ !g_red(2)=at(1,2)*xk(1,ik+1)+at(2,2)*xk(2,ik+1)+at(3,2)*xk(3,ik+1) ++ !g_red(3)=at(1,3)*xk(1,ik+1)+at(2,3)*xk(2,ik+1)+at(3,3)*xk(3,ik+1) ++ !!write(iun,100) xk(1,ik+1),xk(2,ik+1),xk(3,ik+1) ++ !write(iun,100) g_red(1),g_red(2),g_red(3) ++ !CALL iotk_write_end(iun, "h5tag") ++ !write(iun,'(a)') ' ' ++ ++ ++ CALL iotk_write_begin(iun, "slaterdeterminant") ++ ! build determinant for up electrons ++ CALL iotk_write_attr (attr,"id","updet",first=.true.) ++ CALL iotk_write_attr (attr,"size",nup) ++ CALL iotk_write_begin(iun, "determinant",ATTR=attr) ++ CALL iotk_write_attr (attr,"mode","ground",first=.true.) ++ CALL iotk_write_attr (attr,"spindataset",0) ++ CALL iotk_write_begin(iun, "occupation",ATTR=attr) ++ CALL iotk_write_end(iun, "occupation") ++ CALL iotk_write_end(iun, "determinant") ++ ++ ! build determinant for down electrons ++ CALL iotk_write_attr (attr,"id","downdet",first=.true.) ++ CALL iotk_write_attr (attr,"size",ndown) ++ IF( lsda ) CALL iotk_write_attr (attr,"ref","updet") ++ CALL iotk_write_begin(iun, "determinant",ATTR=attr) ++ CALL iotk_write_attr (attr,"mode","ground",first=.true.) ++ IF( lsda ) THEN ++ CALL iotk_write_attr (attr,"spindataset",1) ++ ELSE ++ CALL iotk_write_attr (attr,"spindataset",0) ++ ENDIF ++ CALL iotk_write_begin(iun, "occupation",ATTR=attr) ++ CALL iotk_write_end(iun, "occupation") ++ CALL iotk_write_end(iun, "determinant") ++ CALL iotk_write_end(iun, "slaterdeterminant") ++ ++ CALL iotk_write_end(iun, "determinantset") ++ ++ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! ++ ! two-body jastro ++ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! ++ CALL iotk_write_attr (attr,"name","J2",first=.true.) ++ CALL iotk_write_attr (attr,"type","Two-Body"); ++ CALL iotk_write_attr (attr,"function","Bspline"); ++ CALL iotk_write_attr (attr,"print","yes"); ++ CALL iotk_write_begin(iun, "jastrow",ATTR=attr) ++ ++ ! for uu ++ CALL iotk_write_attr (attr,"speciesA","u",first=.true.) ++ CALL iotk_write_attr (attr,"speciesB","u") ++ !CALL iotk_write_attr (attr,"rcut","10") ++ CALL iotk_write_attr (attr,"size","8") ++ CALL iotk_write_begin(iun, "correlation",ATTR=attr) ++ CALL iotk_write_attr (attr,"id","uu",first=.true.) ++ CALL iotk_write_attr (attr,"type","Array") ++ CALL iotk_write_begin(iun, "coefficients",ATTR=attr) ++ write(iun,*) "0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0" ++ CALL iotk_write_end(iun, "coefficients") ++ CALL iotk_write_end(iun, "correlation") ++ ++ ! for ud ++ CALL iotk_write_attr (attr,"speciesA","u",first=.true.) ++ CALL iotk_write_attr (attr,"speciesB","d") ++ !CALL iotk_write_attr (attr,"rcut","10") ++ CALL iotk_write_attr (attr,"size","8") ++ CALL iotk_write_begin(iun, "correlation",ATTR=attr) ++ CALL iotk_write_attr (attr,"id","ud",first=.true.) ++ CALL iotk_write_attr (attr,"type","Array") ++ CALL iotk_write_begin(iun, "coefficients",ATTR=attr) ++ write(iun,*) "0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0" ++ CALL iotk_write_end(iun, "coefficients") ++ CALL iotk_write_end(iun, "correlation") ++ ++ CALL iotk_write_end(iun, "jastrow") ++ ++ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! ++ ! one-body jastro ++ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! ++ CALL iotk_write_attr (attr,"name","J1",first=.true.) ++ CALL iotk_write_attr (attr,"type","One-Body"); ++ CALL iotk_write_attr (attr,"function","Bspline"); ++ CALL iotk_write_attr (attr,"source","ion0"); ++ CALL iotk_write_attr (attr,"print","yes"); ++ CALL iotk_write_begin(iun, "jastrow",ATTR=attr) ++ ++ DO na=1,ntyp ++ tmp=TRIM(atm(na)) ++ tmp_combo='e'//TRIM(atm(na)) ++ ++ !h5len=LEN_TRIM(tmp) ++ CALL iotk_write_attr (attr,"elementType",TRIM(tmp),first=.true.) ++ !CALL iotk_write_attr (attr,"rcut","10") ++ CALL iotk_write_attr (attr,"size","8") ++ CALL iotk_write_begin(iun, "correlation",ATTR=attr) ++ ++ CALL iotk_write_attr (attr,"id",TRIM(tmp_combo),first=.true.) ++ CALL iotk_write_attr (attr,"type","Array") ++ CALL iotk_write_begin(iun, "coefficients",ATTR=attr) ++ write(iun,*) "0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0" ++ CALL iotk_write_end(iun, "coefficients") ++ CALL iotk_write_end(iun, "correlation") ++ ENDDO ++ CALL iotk_write_end(iun, "jastrow") ++ ++ CALL iotk_write_end(iun, "wavefunction") ++ ++ CALL iotk_close_write(iun) ++ !ENDDO ++ ++ endif ! ionode ++ ++ g_global_to_local(:)=0 ++ DO ig=1,ngm ++ g_global_to_local(ig_l2g(ig))=ig ++ ENDDO ++ ++ gint_qmc(:,:) = 0 ++ DO ig=1, ngtot ++ ig_c = g_global_to_local(igtog(ig)) ++ if (ig_c>0) then ++ !g_cart(1,ig)=tpi/alat*g(1,ig_c) ++ !g_cart(2,ig)=tpi/alat*g(2,ig_c) ++ !g_cart(3,ig)=tpi/alat*g(3,ig_c) ++ !g_qmc(1,ig)=at(1,1)*g(1,ig_c)+at(2,1)*g(2,ig_c)+at(3,1)*g(3,ig_c) ++ !g_qmc(2,ig)=at(1,2)*g(1,ig_c)+at(2,2)*g(2,ig_c)+at(3,2)*g(3,ig_c) ++ !g_qmc(3,ig)=at(1,3)*g(1,ig_c)+at(2,3)*g(2,ig_c)+at(3,3)*g(3,ig_c) ++ gint_qmc(1,ig)=NINT(at(1,1)*g(1,ig_c)+at(2,1)*g(2,ig_c)+at(3,1)*g(3,ig_c)) ++ gint_qmc(2,ig)=NINT(at(1,2)*g(1,ig_c)+at(2,2)*g(2,ig_c)+at(3,2)*g(3,ig_c)) ++ gint_qmc(3,ig)=NINT(at(1,3)*g(1,ig_c)+at(2,3)*g(2,ig_c)+at(3,3)*g(3,ig_c)) ++ !WRITE(io,'(3(1x,f20.15))') g_cart(1,ig),g_cart(2,ig),g_cart(3,ig) ++ endif ++ ENDDO ++ call mp_sum(gint_qmc, intra_pool_comm) ++ ++ gint_den(:,:) = 0 ++ DO ig=1,ngm ++ gint_den(1,ig_l2g(ig))=NINT(at(1,1)*g(1,ig)+at(2,1)*g(2,ig)+at(3,1)*g(3,ig)) ++ gint_den(2,ig_l2g(ig))=NINT(at(1,2)*g(1,ig)+at(2,2)*g(2,ig)+at(3,2)*g(3,ig)) ++ gint_den(3,ig_l2g(ig))=NINT(at(1,3)*g(1,ig)+at(2,3)*g(2,ig)+at(3,3)*g(3,ig)) ++ ENDDO ++ DO ispin=1,nspin ++ den_g_global(:,ispin) = 0.d0 ++ DO ig=1,ngm ++ den_g_global(ig_l2g(ig),ispin) = rho%of_g(ig,ispin) ++ ENDDO ++ ENDDO ++ ++ call mp_sum(gint_den, intra_pool_comm) ++ call mp_sum(den_g_global, intra_pool_comm) ++ ++ n_rgrid(1)=nr1s ++ n_rgrid(2)=nr2s ++ n_rgrid(3)=nr3s ++ ++ save_complex=0 ++ if(ionode) then ++ DO ik = 1, nktot ++ !! evaluate the phase ++ !phase(:) = (0.d0,0.d0) ++ !if ( ig_(ik,ib)>0) phase( dffts%nl(ig_(ik,ib)) ) = (1.d0,0.d0) ++ g_red(1)=at(1,1)*xk_full_list(1,ik)+at(2,1)*xk_full_list(2,ik)+at(3,1)*xk_full_list(3,ik) ++ g_red(2)=at(1,2)*xk_full_list(1,ik)+at(2,2)*xk_full_list(2,ik)+at(3,2)*xk_full_list(3,ik) ++ g_red(3)=at(1,3)*xk_full_list(1,ik)+at(2,3)*xk_full_list(2,ik)+at(3,3)*xk_full_list(3,ik) ++ ++ IF(g_red(1)*g_red(1)+g_red(2)*g_red(2)+g_red(3)*g_red(3)>1e-12) THEN ++ save_complex=1 ++ END IF ++ END DO ++ endif ++ ++ CALL mp_bcast(save_complex, ionode_id, world_comm ) ++ ++ ++ ++! WRITE(io,'(A10,3(1x,i6))') 'ngrid: ',n_rgrid(1:3) ++ ++ !CALL esh5_open_electrons(nup, ndown,nspin,nk,nbnd,n_rgrid)!, save_complex) ++ !CALL esh5_open_electrons(nup, ndown, nspin, nkfull, nbnd, n_rgrid)!, save_complex) ++ ++ if(pool_ionode) then ++ if(ionode) then ++ CALL esh5_open_electrons_base(nup, ndown, nspin, nkfull, nbnd, n_rgrid)!, save_complex) ++ else ++ CALL esh5_open_electrons(nup, ndown, nspin, nkfull, nbnd, n_rgrid)!, save_complex) ++ endif ++ endif ++ ++! IF (write_psir) THEN ++! CALL esh5_write_psi_r_mesh(n_rgrid) ++! ENDIF ++ ++ !!NOT YET DECIDED ++ !!CALL esh5_write_basis(g_qmc,g_cart,ngtot) ++ !!CALL esh5_write_parameters(nelec_tot,nspin,nbnd,nkfull,ecutwfc/2,alat,at) ++ ! ++ ++ ALLOCATE (eigpacked(ngtot)) ++ ALLOCATE (eigval(nbnd)) ++ ++!ionode writes all k-point and ev data ++ if(ionode)then ++ DO ik = 1, nkstot ++ basekindex = ik + nbase ++ ispin = 1 ++ if (basekindex > nktot) then ++ ispin = 2 ++ basekindex = basekindex - nktot ++ endif ++ DO iks = 1,num_irrep(basekindex) ++ jks = xkfull_index(basekindex,iks) ++ g_red(1)=at(1,1)*xk_full_list(1,jks)+at(2,1)*xk_full_list(2,jks)+at(3,1)*xk_full_list(3,jks) ++ g_red(2)=at(1,2)*xk_full_list(1,jks)+at(2,2)*xk_full_list(2,jks)+at(3,2)*xk_full_list(3,jks) ++ g_red(3)=at(1,3)*xk_full_list(1,jks)+at(2,3)*xk_full_list(2,jks)+at(3,3)*xk_full_list(3,jks) ++ ++ CALL esh5_open_kpoint(jks) ++ CALL esh5_write_kpoint_data(g_red,wk(basekindex)/num_irrep(basekindex),ngtot,iks,num_irrep(basekindex)) ++ ++ ! only the 1 index kpoint will write this g vectors ++ if(ik == 1) then ++ CALL esh5_write_gvectors_k(gint_qmc,ngtot) ++ endif ++ ++! if (lsda) then ++! ispin = isk(ik) ++! else ++! ispin=1 ++! endif ++ ++ CALL esh5_open_spin(ispin) ++ DO ibnd = 1, nbnd ++ eigval(ibnd)=0.5*et(ibnd,ik) ++ ENDDO ++ CALL esh5_write_eigvalues(eigval) ++ CALL esh5_close_spin() ++ ++ ++ CALL esh5_close_kpoint() ++ ENDDO ++ ENDDO ++ else ++ DO ik = 1, nks ++ basekindex = ik + nbase ++ if (basekindex > nktot) then ++ basekindex = basekindex - nktot ++ ispin=2 ++ else ++ ispin=1 ++ endif ++ DO iks = 1,num_irrep(basekindex) ++ jks = xkfull_index(basekindex,iks) ++ g_red(1)=at(1,1)*xk_full_list(1,jks)+at(2,1)*xk_full_list(2,jks)+at(3,1)*xk_full_list(3,jks) ++ g_red(2)=at(1,2)*xk_full_list(1,jks)+at(2,2)*xk_full_list(2,jks)+at(3,2)*xk_full_list(3,jks) ++ g_red(3)=at(1,3)*xk_full_list(1,jks)+at(2,3)*xk_full_list(2,jks)+at(3,3)*xk_full_list(3,jks) ++ ++ !! open kpoint ++ if(pool_ionode) CALL esh5_open_kpoint(jks) ++! CALL esh5_write_kpoint_data(g_red,wk(ik)/num_irrep(basekindex),ngtot) ++! if (lsda) then ++! ispin = isk(ik) ++! else ++! ispin=1 ++! endif ++ if(pool_ionode) CALL esh5_open_spin(ispin) ++ if(pool_ionode) CALL esh5_close_spin() ++ ++ if(pool_ionode) CALL esh5_close_kpoint() ++ ++ ENDDO ++ ENDDO ++ endif ++ ++100 FORMAT (3(1x,f20.15)) ++ ++ if(save_complex /=1 .and. write_psir) ALLOCATE(psireal(nxxs)) ++ if(write_psir .or. expand_kp) then ++ ALLOCATE(psitr(nxxs)) ++ IF(nproc_pool > 1) ALLOCATE(tmp_psic(nxxs)) ++ endif ++ ++! if(ionode) print *,'PW2QMCPACK npw=',npw,'ngtot=',ngtot ++ ! open real-space wavefunction on FFT grid ++ !!CALL esh5_open_eigr(nr1s,nr2s,nr3s) ++ !DO ik = 1, nk ++ ++ CALL start_clock ( 'big_loop' ) ++ if(nks .eq. 1) then ! treat 1 kpoint specially ++ if(pool_ionode) write(*,"(A,I8,A)") ' k pool ', my_pool_id, ' has only 1 Kpoint. Bypass everything ' ++ ik=1 ++ basekindex = ik + nbase ++ if (basekindex > nktot) then ++ basekindex = basekindex - nktot ++ ispin=2 ++ else ++ ispin=1 ++ endif ++ if(debug) write(6,*) " starting davcio!" ++ CALL davcio (evc, 2*nwordwfc, iunwfc, ik, - 1) ++ if(debug) write(6,*) " davcio ends!" ++ if(pool_ionode) CALL esh5_open_kpoint(basekindex) ++ if(pool_ionode) CALL esh5_open_spin(ispin) ++ DO ibnd = 1, nbnd ++ eigpacked(:)=(0.d0,0.d0) ++ eigpacked(igtomin(ig_l2g(igk_k(1:npw,ik))))=evc(1:npw,ibnd) ++ IF (debug) CALL check_norm(npw, evc(1,ibnd), .true., jks, ibnd, "before collection") ++ if (debug) write(6,"(A,1I5)") " collecting band ", ibnd ++ CALL mp_sum ( eigpacked , intra_pool_comm ) ++ if (debug) write(6,"(A,1I5)") " writing band ", ibnd ++ if (pool_ionode) THEN ++ CALL check_norm(ngtot, eigpacked, .false., jks, ibnd, "after collection before writing") ++ CALL esh5_write_psi_g(ibnd,eigpacked,ngtot) ++ ENDIF ++ enddo ++ if(pool_ionode) CALL esh5_close_spin() ++ if(pool_ionode) CALL esh5_close_kpoint() ++ else ! nk .neq. 1 ++ DO ik = 1, nks ++ basekindex = ik + nbase ++ if (basekindex > nktot) then ++ basekindex = basekindex - nktot ++ ispin=2 ++ else ++ ispin=1 ++ endif ++ DO iks = 1,num_irrep(basekindex) ++ jks = xkfull_index(basekindex,iks) ++ isym = sym_list(jks) ++ ++ if(expand_kp) then ++ call generate_symmetry_rotation(isym) ++ endif ++ ++ if(pool_ionode) CALL esh5_open_kpoint(jks) ++ ++! if(ionode) print *,'PW2QMCPACK ik,iks=',ik,iks ++ ++! DO ispin = 1, nspin ++! ikk = ik + nk*(ispin-1) ++! if (lsda) then ++! ispin = isk(ik) ++! else ++! ispin=1 ++! endif ++ ++ !!! MAM: This could be outside the num_irrep group is ispin = 1, ++ !!! can I switch the order of esh5_open_spin and ++ !!! esh5_open_kpoint??? ++ CALL gk_sort (xk (1:3, ik), ngm, g, ecutwfc / tpiba2, npw, igk_k(:,ik), g2kin) ++ CALL davcio (evc, 2*nwordwfc, iunwfc, ik, - 1) ++ CALL gk_sort (xk_full_list (1:3, jks), ngm, g, ecutwfc / tpiba2, npw_sym, igk_sym, g2kin_sym) ++ if(npw .ne. npw_sym ) then ++ write(*,*) 'Warning!!!: npw != npw_sym: ',npw,npw_sym ++ endif ++ ++ if(pool_ionode) CALL esh5_open_spin(ispin) ++ ++ DO ibnd = 1, nbnd !!transform G to R ++ ++! I should be able to do the rotation directly in G space, ++! but for now I'm doing it like this ++ IF(expand_kp) then ++ psic(:)=(0.d0,0.d0) ++ psitr(:)=(0.d0,0.d0) ++ tmp_evc(:) = (0.d0,0.d0) ++ IF(nproc_pool > 1) THEN ++ ! ++ psic(dffts%nl(ig_l2g(igk_k(1:npw,ik))))=evc(1:npw,ibnd) ++ ++! call errore ('pw2qmcpack','parallel version not fully implemented.',2) ++ if(gamma_only) then ++ call errore ('pw2qmcpack','problems with gamma_only, not fully implemented.',2) ++ endif ++ ! ++ CALL invfft ('Wave', psic, dffts) ++ ! ++! call cgather_smooth(psic,psitr) ++ call gather_grid(dffts,psic,psitr) ++ tmp_psic(1:nxxs) = psitr(rir(1:nxxs)) ++! call cscatter_smooth(tmp_psic,psic) ++ call scatter_grid(dffts,tmp_psic,psic) ++ ! ++ ! at this point, I have the rotated orbital in real space, might ++ ! want to keep it stored somewhere for later use if write_psir ++ ! ++ CALL fwfft ('Wave', psic, dffts) ++ ! ++ tmp_evc(1:npw_sym)=psic(dffts%nl(ig_l2g(igk_sym(1:npw_sym)))) ++ ! ++ ELSE ! nproc_pool <= 1 ++ ! ++ psic(dffts%nl(ig_l2g(igk_k(1:npw,ik))))=evc(1:npw,ibnd) ++ if(gamma_only) then ++ call errore ('pw2qmcpack','problems with gamma_only, not fully implemented.',2) ++ endif ++ ! ++ CALL invfft ('Wave', psic, dffts) ++ ! ++ psitr(1:nxxs) = psic(rir(1:nxxs)) ++ ! temporary hack to see if I have problems with inversion ++ ! symmetry ++ if(isym.lt.0 .AND. iks.gt.1 .AND. abs(isym).eq.abs(sym_list(xkfull_index(basekindex,iks-1))) ) then ++ psitr(1:nxxs) = CONJG(psitr(1:nxxs)) ++ endif ++ !psitr(:) = psic(:) ++ ! ++ CALL fwfft ('Wave', psitr, dffts) ++ ! ++ tmp_evc(1:npw_sym)=psitr(dffts%nl(ig_l2g(igk_sym(1:npw_sym)))) ++ ! ++ ENDIF ! nprocpool ++ ++ !mapping is different with expand_kp, revert to the slow method ++ DO ig=1, ngtot ++ ! now for all G vectors find the PW coefficient for this k-point ++ found = .FALSE. ++ !!! MMORALES: This is very inefficient, create a mapping in the beggining from g ++ !!! to the g grid used in qmcpack, and just set to -1 the elements ++ !!! outside the cutoff ++ DO ig7 = 1, npw_sym ++ IF( ig_l2g(igk_sym(ig7)) == igtog(ig) )THEN ++ !!! FIX FIX FIX, In parallel, this is completely incorrect since each proc only ++ !has limited data, you have to do a sum reduce at the very end to the head node ++ eigpacked(ig)=tmp_evc(ig7) ++ found = .TRUE. ++ GOTO 18 ++ ENDIF ++ ENDDO ! ig7 ++ ! if can't find the coefficient this is zero ++ 18 IF( .NOT. found ) eigpacked(ig)=(0.d0,0.d0) ++ ENDDO ! ig ++ ELSE ! expandkp = false ++ ! ++ !tmp_evc(:) = evc(:,ibnd) ++ eigpacked(:)=(0.d0,0.d0) ++ eigpacked(igtomin(ig_l2g(igk_k(1:npw,ik))))=evc(1:npw,ibnd) ++ IF (debug) CALL check_norm(npw, evc(1,ibnd), .true., jks, ibnd, "before collection") ++ ! ++ ENDIF ! expandkp ++ ++ CALL mp_sum ( eigpacked , intra_pool_comm ) ++ if (pool_ionode) THEN ++ CALL check_norm(ngtot, eigpacked, .false., jks, ibnd, "after collection before writing") ++ CALL esh5_write_psi_g(ibnd,eigpacked,ngtot) ++ ENDIF ++ ++ IF (write_psir) THEN ++ psic(:)=(0.d0,0.d0) ++ psic(dffts%nl(ig_l2g(igk_sym(1:npw_sym))))=tmp_evc(1:npw_sym) ++ if(gamma_only) psic(dffts%nlm(ig_l2g(igk_sym(1:npw_sym)))) = CONJG(tmp_evc(1:npw_sym)) ++ ! ++ CALL invfft ('Wave', psic, dffts) ++ ! ++ IF(nproc_pool > 1) THEN ++ ! ++ tmp_psic=psic ++! call cgather_smooth(psic,tmp_psic) ++ call gather_grid(dffts,psic,tmp_psic) ++ psiCptr => tmp_psic ++ ! ++ ELSE ++ ! ++ psiCptr => psic ++ ! ++ ENDIF ++ ! ++ IF(save_complex .eq. 1) THEN ++ ! ++ !psic(:)=psic(:)/omega ++ ii=1 ++ DO igx=1,nr1s ++ DO igy=0,nr2s-1 ++ DO igz=0,nr3s-1 ++ psitr(ii)=psiCptr(igx+nr1s*(igy+igz*nr2s))/omega ++ ii=ii+1 ++ ENDDO ++ ENDDO ++ ENDDO ++ if(pool_ionode) CALL esh5_write_psi_r(ibnd,psitr,save_complex) ++ ! ++ ELSE ++ ! ++ ii=1 ++ DO igx=1,nr1s ++ DO igy=0,nr2s-1 ++ DO igz=0,nr3s-1 ++ psireal(ii)=real(psiCptr(igx+nr1s*(igy+igz*nr2s)))/omega ++ ii=ii+1 ++ ENDDO ++ ENDDO ++ ENDDO ++ if(pool_ionode) CALL esh5_write_psi_r(ibnd,psireal,save_complex) ++ ! ++ ENDIF ++ ENDIF ! write_psir ++ !! conversion and output complete for each band ++ ENDDO ! ibnd ++ if(pool_ionode) CALL esh5_close_spin() ++! ENDDO ++ if(pool_ionode) CALL esh5_close_kpoint() ++ ENDDO ! iks ++ ENDDO ! ik ++ ++endif ! nk ++CALL stop_clock( 'big_loop' ) ++#endif ++ ! write charge density ++ ! ignore spin for the time being ++ !CALL esh5_write_rho(rho,rhog(1,1),ngm) ++ ++#if defined(__HDF5) || defined(__HDF5_C) ++ CALL start_clock( 'write_h5' ) ++ if(ionode) then ++ CALL esh5_open_density(gint_den,ngm_g,nr1s,nr2s,nr3s) ++ DO ispin = 1, nspin ++ CALL esh5_write_density_g(ispin,den_g_global(1,ispin)) ++ ENDDO ++ CALL esh5_close_density() ++ endif ++ ++ if(pool_ionode) CALL esh5_close_electrons() ++ if(pool_ionode) CALL esh5_close_file() ++ ++ CALL mp_barrier( intra_image_comm ) ++ CALL stop_clock( 'write_h5' ) ++! glue h5 together ++ CALL start_clock( 'glue_h5' ) ++ if(ionode) then ++ if(npool>1) then ++ h5name = TRIM( prefix ) // '.pwscf.h5' ++ tmp = TRIM( tmp_dir )//TRIM( h5name ) ++ h5len = LEN_TRIM(tmp) ++ call esh5_join_all(tmp,h5len,npool) ++ endif ++ endif ++ CALL stop_clock( 'glue_h5' ) ++#endif ++ ++ IF( ALLOCATED(igtog) ) DEALLOCATE (igtog) ++ IF( ALLOCATED(igtomin) ) DEALLOCATE (igtomin) ++ IF( ALLOCATED(indx) ) DEALLOCATE (indx) ++ IF( ALLOCATED(eigpacked) ) DEALLOCATE (eigpacked) ++ !IF( ALLOCATED(g_qmc) ) DEALLOCATE (g_qmc) ++ !IF( ALLOCATED(g_cart) ) DEALLOCATE (g_cart) ++ IF( ALLOCATED(psireal) ) DEALLOCATE (psireal) ++ IF( ALLOCATED(psitr) ) DEALLOCATE (psitr) ++ IF( ALLOCATED(tmp_psic) ) DEALLOCATE (tmp_psic) ++ IF( ALLOCATED(num_irrep) ) DEALLOCATE (num_irrep) ++ IF( ALLOCATED(xkfull_index) ) DEALLOCATE (xkfull_index) ++ IF( ALLOCATED(sym_list) ) DEALLOCATE (sym_list) ++ IF( ALLOCATED(xk_full_list) ) DEALLOCATE (xk_full_list) ++ IF( ALLOCATED(rir) ) DEALLOCATE (rir) ++ IF( ALLOCATED(igk_sym) ) DEALLOCATE (igk_sym) ++ IF( ALLOCATED(g2kin_sym) ) DEALLOCATE (g2kin_sym) ++ !DEALLOCATE (phase) ++ ++ CONTAINS ++ ++ SUBROUTINE generate_symmetry_equivalent_list() ++ ! ++ ! Code taken mostly from PW/exx.f90 ++ ! ++ !------------------------------------------------------------------------ ++ ! ++ USE kinds, ONLY: DP ++ USE cell_base, ONLY : at ++ USE lsda_mod, ONLY : nspin ++ USE klist, ONLY : xk ++ USE io_global, ONLY : stdout, ionode ++ ! ++ USE klist, ONLY : nkstot ++ USE io_global, ONLY : stdout ++ USE wvfct, ONLY : nbnd, npwx, npw, wg, et ++ USE klist, ONLY : wk, ngk, nks ++ USE symm_base, ONLY : nsym, s, ftau ++ USE lsda_mod, ONLY: lsda ++ use fft_base, ONLY : dffts ++! use fft_interfaces, ONLY : invfft ++ ++ ! ++ IMPLICIT NONE ++ ! ++ integer :: is, ik, ikq, iq, ns , nktot ++ logical :: xk_not_found ++ real (DP) :: sxk(3), dxk(3), xk_cryst(3), xkk_cryst(3) ++ logical :: exst ++ REAL (DP) :: eps =1.d-8 ++ ++ ! ++ ! find all k-points equivalent by symmetry to the points in the k-list ++ ! ++ ++ if(lsda)then ++ nktot=nkstot/2 ++ else ++ nktot=nkstot ++ endif ++ ++ nkfull = 0 ++ do ik =1, nktot ++ ! ++ num_irrep(ik) = 0 ++ ! ++ ! isym=1 is the identity ++ do is=1,nsym ++ xk_cryst(:) = at(1,:)*xk(1,ik) + at(2,:)*xk(2,ik) + at(3,:)*xk(3,ik) ++ sxk(:) = s(:,1,is)*xk_cryst(1) + & ++ s(:,2,is)*xk_cryst(2) + & ++ s(:,3,is)*xk_cryst(3) ++ ! add sxk to the auxiliary list if it is not already present ++ xk_not_found = .true. ++ do ikq=1, nkfull ++ if (xk_not_found ) then ++ dxk(:) = sxk(:)-xk_full_list(:,ikq) - nint(sxk(:)-xk_full_list(:,ikq)) ++ if ( abs(dxk(1)).le.eps .and. & ++ abs(dxk(2)).le.eps .and. & ++ abs(dxk(3)).le.eps ) xk_not_found = .false. ++ end if ++ end do ++ if (xk_not_found) then ++ nkfull = nkfull + 1 ++ num_irrep(ik) = num_irrep(ik) + 1 ++ xkfull_index(ik,num_irrep(ik)) = nkfull ++ xk_full_list(:,nkfull) = sxk(:) ++ sym_list(nkfull) = is ++ end if ++ ++ sxk(:) = - sxk(:) ++ xk_not_found = .true. ++ do ikq=1, nkfull ++ if (xk_not_found ) then ++ dxk(:) = sxk(:)-xk_full_list(:,ikq) - nint(sxk(:)-xk_full_list(:,ikq)) ++ if ( abs(dxk(1)).le.eps .and. & ++ abs(dxk(2)).le.eps .and. & ++ abs(dxk(3)).le.eps ) xk_not_found = .false. ++ end if ++ end do ++ if (xk_not_found) then ++ nkfull = nkfull + 1 ++ num_irrep(ik) = num_irrep(ik) + 1 ++ xkfull_index(ik,num_irrep(ik)) = nkfull ++ xk_full_list(:,nkfull) = sxk(:) ++ sym_list(nkfull) = -is ++ end if ++ ++ end do ++ end do ++ ! ++ ! transform kp list to cartesian again ++ do ik=1,nkfull ++ dxk(:) = bg(:,1)*xk_full_list(1,ik) + & ++ bg(:,2)*xk_full_list(2,ik) + & ++ bg(:,3)*xk_full_list(3,ik) ++ xk_full_list(:,ik) = dxk(:) ++ enddo ++ ! ++! if(ionode) then ++! print *,'Symmetry Inequivalent list of k-points:' ++! print *,'Total number: ',nkstot ++! do ik =1, nkstot ++! WRITE(*,'(i6,3(1x,f20.15))') ik, xk(1:3,ik) ++! enddo ++! print *,'Full list of k-points (crystal):' ++! print *,'Total number of k-points: ',nkfull ++! print *,'IRREP, N, SYM-ID, KP: ' ++! do ik =1, nkstot ++! do ns=1,num_irrep(ik) ++! WRITE(*,'(i6,i6,i6,3(1x,f20.15))') ik,ns,sym_list(xkfull_index(ik,ns)) & ++! ,xk_full_list(1:3,xkfull_index(ik,ns)) ++! enddo ++! enddo ++! endif ++ ! ++ ! check symm operations ++ ! ++! do ikq =1,nkfull ++! is = abs(sym_list(ikq)) ++! if ( mod (s (2, 1, is) * dffts%nr1, dffts%nr2) .ne.0 .or. & ++! mod (s (3, 1, is) * dffts%nr1, dffts%nr3) .ne.0 .or. & ++! mod (s (1, 2, is) * dffts%nr2, dffts%nr1) .ne.0 .or. & ++! mod (s (3, 2, is) * dffts%nr2, dffts%nr3) .ne.0 .or. & ++! mod (s (1, 3, is) * dffts%nr3, dffts%nr1) .ne.0 .or. & ++! mod (s (2, 3, is) * dffts%nr3, dffts%nr2) .ne.0 ) then ++! call errore ('generate_symmetry_equivalent_list',' problems with grid',is) ++! end if ++! end do ++ ++ END SUBROUTINE generate_symmetry_equivalent_list ++ ! ++ SUBROUTINE generate_symmetry_rotation(is0) ++ USE kinds, ONLY: DP ++ USE klist, ONLY : xk ++ USE io_global, ONLY : stdout, ionode ++ ! ++ USE io_global, ONLY : stdout ++ USE symm_base, ONLY : nsym, s, ftau ++ use fft_base, ONLY : dffts ++ ++ ! ++ IMPLICIT NONE ++ ! ++ integer, intent(in) :: is0 ++ ! ++ integer :: i,j,k, ir, ri, rj, rk, is ++ logical :: exst ++ REAL (DP) :: eps =1.d-6 ++ ++ ! ++ do ir=1, nxxs ++ rir(ir) = ir ++ end do ++ is = abs(is0) ++ do k = 1, dffts%nr3 ++ do j = 1, dffts%nr2 ++ do i = 1, dffts%nr1 ++ call ruotaijk (s(1,1,is), ftau(1,is), i, j, k, & ++ dffts%nr1,dffts%nr2,dffts%nr3, ri, rj , rk ) ++ ir = i + ( j-1)*dffts%nr1x + ( k-1)*dffts%nr1x*dffts%nr2x ++ rir(ir) = ri + (rj-1)*dffts%nr1x + (rk-1)*dffts%nr1x*dffts%nr2x ++ end do ++ end do ++ end do ++ ! ++ END SUBROUTINE generate_symmetry_rotation ++ ! ++END SUBROUTINE compute_qmcpack diff --git a/external_codes/quantum_espresso/download_and_patch_qe6.4.sh b/external_codes/quantum_espresso/download_and_patch_qe6.4.sh new file mode 100755 index 0000000000..b8a12b33d3 --- /dev/null +++ b/external_codes/quantum_espresso/download_and_patch_qe6.4.sh @@ -0,0 +1,61 @@ +#!/bin/sh + +# Attempt to automatically download and patch Quantum-Espresso for pw2qmcpack converter +# Patch developed by William Parker / Argonne National Lab +# This simple script, Paul Kent / Oak Ridge National LaB + +codename=qe-6.4 +untarname=q-e-qe-6.4 +archivename=${codename}.tar.gz +if [ ! -e ${archivename} ]; then +echo --- Did not find ${archivename} in current directory. +# Full URL of espresso download link obtained from qe-forge on 22 Feb 2018 +# Will need to be updated between versions +qeurl=https://github.com/QEF/q-e/archive/${codename}.tar.gz +echo --- Attempting to download. This can take several minutes. +wget --no-verbose ${qeurl} +else +echo --- Found and using ${archivename} in current directory. +fi + +if [ ! -e ${archivename} ]; then +echo --- ERROR: Could not find ${archivename} +echo --- Something went wrong... possibly a bad URL for the file download or you are offline +echo --- Please advise QMCPACK Developers via Google Groups if this problem persists +exit +fi + +if [ -e ${codename} ]; then +echo --- ERROR: folder ${codename} already exist! Could not unpack ${archivename}! +exit +fi + +echo --- Unpacking +tar xvzf ${archivename} +mv $untarname $codename +if [ ! -e ${codename}/PW/src/Makefile ]; then +echo --- ERROR: Could not find PW/src/Makefile +echo --- Something went wrong... probably a failure to download the full archive. +echo --- Check ${archivename}. Delete if a partial download and retry. +echo --- Also check $qeurl is valid - perhaps the files have moved online. +echo --- Please advise QMCPACK Developers via Google Groups if this problem persists +exit +fi + +cd ${codename} +patch -f -p1 -i ../add_pw2qmcpack_to_${codename}.diff +cd .. +if [ -e $codename/PP/src/pw2qmcpack.f90 ]; then +echo --- SUCCESS: ${codename} patched for pw2qmcpack converter +echo There are two ways to build +echo "1) if your system already has HDF5 installed with Fortran, use the --with-hdf5 configuration option." +echo " Example configure: ./configure --with-hdf5=path_to_hdf5_include_and_lib" +echo " Currently HDF5 support in QE itself is preliminary. To enable use of pw2qmcpack" +echo " but use the old non-HDF5 I/O within QE, replace '-D__HDF5' with '-D__HDF5_C' in make.inc." +echo "2) if your system has HDF5 with C only, manually edit make.inc by adding '-D__HDF5_C -DH5_USE_16_API'" +echo " in 'DFLAGS' and provide include and library path in 'IFLAGS' and 'HDF5_LIB'" +else +echo --- ERROR: Could not find PP/src/pw2qmcpack.f90 after patching +echo --- Probably the patch is missing or the archive has been updated. +echo --- Please advise QMCPACK Developers via Google Groups. +fi From 456262cffd043ca2da9c58b89758795d4cf738c3 Mon Sep 17 00:00:00 2001 From: Ye Luo Date: Fri, 15 Mar 2019 18:04:50 -0500 Subject: [PATCH 2/2] Remove qe 5.3 and 6.2.1 support. --- .../add_pw2qmcpack_to_espresso-5.3.0.diff | 41724 ---------------- .../add_pw2qmcpack_to_qe-6.2.1.diff | 2403 - .../download_and_patch_qe5.3.0.sh | 48 - .../download_and_patch_qe6.2.1.sh | 53 - 4 files changed, 44228 deletions(-) delete mode 100644 external_codes/quantum_espresso/add_pw2qmcpack_to_espresso-5.3.0.diff delete mode 100644 external_codes/quantum_espresso/add_pw2qmcpack_to_qe-6.2.1.diff delete mode 100755 external_codes/quantum_espresso/download_and_patch_qe5.3.0.sh delete mode 100755 external_codes/quantum_espresso/download_and_patch_qe6.2.1.sh diff --git a/external_codes/quantum_espresso/add_pw2qmcpack_to_espresso-5.3.0.diff b/external_codes/quantum_espresso/add_pw2qmcpack_to_espresso-5.3.0.diff deleted file mode 100644 index 95899b0696..0000000000 --- a/external_codes/quantum_espresso/add_pw2qmcpack_to_espresso-5.3.0.diff +++ /dev/null @@ -1,41724 +0,0 @@ -diff -urN espresso-5.3.0-orig/clib/esh5_interfaces.c espresso-5.3.0-new/clib/esh5_interfaces.c ---- espresso-5.3.0-orig/clib/esh5_interfaces.c 1969-12-31 18:00:00.000000000 -0600 -+++ espresso-5.3.0-new/clib/esh5_interfaces.c 2016-08-29 20:18:06.991485469 -0500 -@@ -0,0 +1,962 @@ -+/* -+ * Copyright (C) 2004 PWSCF group -+ * Copyright (C) 2007 QMCPACK developers -+ * -+ * @author Jeongnim Kim http://www.mcc.uiuc.edu/qmcpack/ -+ * @brief Implements generic hdf5 interfaces for plane wave codes and qmcpack -+ * -+ * - esh5_open_file: open hdf5 file -+ * - esh5_close_file : close hdf5 file -+ * - esh5_open_eigg : open eigenstates -+ * - esh5_close_eigg : close eigenstates -+ * - esh5_open_eigr : open eigenstates_nx_ny_nz -+ * - esh5_close_eigr : close eigenstates_nx_ny_nz -+ * -+ */ -+ -+#if defined(__HDF5) -+ -+#include -+#include -+#include -+#include -+#include -+#include -+#include -+#include "c_defs.h" -+#include "hdf5.h" -+#include "hdf5_hl.h" -+ -+/* file handler */ -+static hid_t h_file=-1; -+/* handler for electrons or atoms*/ -+static hid_t h_ptcls=-1; -+/* kpoint handler */ -+static hid_t h_kpoint=-1; -+/* spin handler */ -+static hid_t h_spin=-1; -+/* density handler */ -+static hid_t h_density=-1; -+/* number of fft grid */ -+static int num_grid[3]; -+/* number of real-space grids */ -+static int h_ngridtot=0; -+/* check for gamma */ -+static int is_gamma=0; -+/* number of atoms */ -+static int num_atoms=0; -+/* number of atom species */ -+static int num_species=0; -+/* number of electrons */ -+static int num_els[2]; -+/* number of spin channels */ -+static int num_spins=1; -+/* number of kpoints */ -+static int num_kpoints=1; -+/* number of bands */ -+static int num_bands=0; -+/* number of gvectors */ -+static int num_gvectors=0; -+/* number of gvectors */ -+static int num_gvectors_max=0; -+/* igmapped */ -+static int *igmapped=0; -+/* current k-point */ -+static int kpoint_now=-1; -+/* is complex orbital */ -+static int psi_r_is_complex=1; -+/* append data */ -+static int append_h5=0; -+static int iteration=0; -+static H5E_auto_t err_func; -+static void *client_data=0; -+ -+ -+/** create a file and write version & application -+ * @param fname name of the output file -+ * @param length size of the file name -+ * -+ * h_file is initialized. -+ */ -+void F77_FUNC_(esh5_open_file,ESH5_OPEN_FILE)(const char* fname, const int* length, int* old) -+{ -+ H5Eget_auto (&err_func, &client_data); -+ H5Eset_auto (NULL, NULL); -+ -+ append_h5=*old; -+ -+ char * hfname = ( char * ) malloc( (*length) + 1 ) ; -+ memcpy( hfname , fname , *length ) ; -+ hfname[*length] = '\0' ; -+ -+ if(h_file>=0) H5Fclose(h_file); -+ h_file = H5Fopen(hfname,H5F_ACC_RDWR,H5P_DEFAULT); -+ if(h_file>=0) -+ { -+ // always delete the already existing file. -+ printf("esh5 destory the existing %s\n",hfname); -+ remove(hfname); -+ h_file=-1; -+ } -+ //if((append_h5)||(iteration)) -+ //{ -+ // printf("esh5 open existing %s\n",hfname); -+ // h_file = H5Fopen(hfname,H5F_ACC_RDWR,H5P_DEFAULT); -+ //} -+ if(h_file<0) -+ { -+ printf("esh5 create %s\n",hfname); -+ h_file = H5Fcreate(hfname,H5F_ACC_TRUNC,H5P_DEFAULT,H5P_DEFAULT); -+ /* impelements version 1.00 hdf5 format */ -+ int version[]={2,1,0}; -+ hsize_t dim=3; -+ herr_t ret=H5LTmake_dataset(h_file,"version",1,&dim,H5T_NATIVE_INT,version); -+ hsize_t ns=1; -+ { -+ hid_t strtype = H5Tcopy (H5T_C_S1); -+ ret = H5Tset_size (strtype, 7); /* create string of length 5 */ -+ ret=H5LTmake_dataset(h_file,"format",1,&ns,strtype,"ES-HDF"); -+ } -+ -+ hid_t h_app = H5Gcreate(h_file,"application",0); -+ { -+ hid_t strtype = H5Tcopy (H5T_C_S1); -+ ret = H5Tset_size (strtype, 8); /* create string of length 5 */ -+ ret=H5LTmake_dataset(h_app,"code",1,&ns,strtype,"espresso"); -+ } -+ version[0]=4; -+ version[2]=4; -+ ret=H5LTmake_dataset(h_app,"version",1,&dim,H5T_NATIVE_INT,version); -+ H5Gclose(h_app); -+ } -+ free(hfname); -+// iteration = iteration+1; -+} -+ -+void F77_FUNC_(esh5_close_file,ESH5_CLOSE_FILE)() -+{ -+ if(h_file>=0) H5Fclose(h_file); -+ h_file=-1; -+ H5Eset_auto (err_func, client_data); -+ -+ //clear the gmap -+ if(num_gvectors_max) free(igmapped); -+} -+ -+/** create electrons and create sub groups -+ * @param nels_up -+ * @param nels_down -+ * @param nspins number_of_spins -+ * @param nkpts number_of_kpoints -+ * @param nband number of electron states -+ * @param ngr 3D mesh -+ */ -+void F77_FUNC_(esh5_open_electrons,ESH5_OPEN_ELECTRONS) -+ ( const int* nels_up, const int* nels_down , const int* nspins -+ , const int* nkpts ,const int *nband , const int* ngr -+ ) -+{ -+ //save the values -+ num_els[0]=*nels_up; -+ num_els[1]=*nels_down; -+ num_spins=*nspins; -+ num_grid[0]=ngr[0]; -+ num_grid[1]=ngr[1]; -+ num_grid[2]=ngr[2]; -+ num_bands=*nband; -+ num_kpoints = *nkpts; -+ -+ h_ptcls = H5Gopen(h_file,"electrons"); -+ if(h_ptcls<0) -+ { -+// printf("Creating electrons\n"); -+ h_ptcls = H5Gcreate(h_file,"electrons",0); -+ -+ //save the number of up and down electrons -+ const hsize_t dim1=1; -+ const hsize_t dim2=2; -+ const hsize_t dim3=3; -+ herr_t ret=H5LTmake_dataset(h_ptcls,"number_of_electrons",1,&dim2,H5T_NATIVE_INT,num_els); -+ ret=H5LTmake_dataset(h_ptcls,"number_of_spins",1,&dim1,H5T_NATIVE_INT,nspins); -+ ret=H5LTmake_dataset(h_ptcls,"number_of_kpoints",1,&dim1,H5T_NATIVE_INT,nkpts); -+ //20110515 psi_r_mesh is used specially -+ //ret=H5LTmake_dataset(h_ptcls,"psi_r_mesh",1,&dim3,H5T_NATIVE_INT,ngr); -+ //ret=H5LTmake_dataset(h_ptcls,"psi_r_is_complex",1,&dim1,H5T_NATIVE_INT,is_complex); -+ -+ //create kpoint/spin/state groups -+// for(int ik=0; ik<*nkpts; ++ik) -+// { -+// char twistname[16]; -+// sprintf(twistname,"kpoint_%i",ik + *kstart); -+// hid_t h1 = H5Gcreate(h_ptcls,twistname,0); -+// for(int ispin=0; ispin= 0); -+} -+///* close kpoint */ -+void F77_FUNC_(esh5_close_kpoint,ESH5_CLOSE_KPOINT)() -+{ -+ H5Gclose(h_kpoint); -+} -+ -+ -+/* write kpoint data */ -+void F77_FUNC_(esh5_write_kpoint_data,ESH5_WRITE_KPOINT_DATA) -+(const double* xk, const double* wgt, const int* ngk_g, const int* irrep, const int* nrelated) -+// (const double* xk, const double* wgt, const int* ngk_g, const hsize_t* gints) -+{ -+ hsize_t dim3=3; -+ hsize_t dim1=1; -+ hsize_t dim_g[2]; -+ dim_g[0] = *ngk_g; -+ dim_g[1] = 3; -+ -+ herr_t ret=H5LTmake_dataset(h_kpoint,"reduced_k",1,&dim3,H5T_NATIVE_DOUBLE,xk); -+ ret=H5LTmake_dataset(h_kpoint,"weight",1,&dim1,H5T_NATIVE_DOUBLE,wgt); -+ ret=H5LTmake_dataset(h_kpoint,"symgroup",1,&dim1,H5T_NATIVE_INT,irrep); -+ ret=H5LTmake_dataset(h_kpoint,"numsym",1,&dim1,H5T_NATIVE_INT,nrelated); -+//DO NOT WRITE THESE YET: 20110515 -+//20110515 ret=H5LTmake_dataset(h_kpoint,"number_of_gvectors",1,&dim1,H5T_NATIVE_INT,ngk_g); -+//20110515 ret=H5LTmake_dataset(h_kpoint,"gvectors",2,dim_g,H5T_NATIVE_INT, gints); -+} -+ -+/** open spin -+ * @param ispin the sin index -+ */ -+void F77_FUNC_(esh5_open_spin,ESH5_OPEN_SPIN)(const int* ispin) -+{ -+ char sname[32]; -+ sprintf(sname,"spin_%i",(*ispin)-1); -+ h_spin=H5Gopen(h_kpoint,sname); -+ if (h_spin < 0) { -+// fprintf (stderr, "Creating %s\n", sname); -+ h_spin=H5Gcreate(h_kpoint,sname,0); -+ for(int ib=0; ib= 0); -+} -+ -+/* close kpoint */ -+void F77_FUNC_(esh5_close_spin,ESH5_CLOSE_SPIN)() -+{ -+ H5Gclose(h_spin); -+} -+ -+ -+/* write eigen values -+ * @param ispin spin index -+ * @param eigval eigen values -+ * @param nband number of bans -+ */ -+void F77_FUNC_(esh5_write_eigvalues,ESH5_WRITE_EIGVALUES)(const double* eigval) -+{ -+ hsize_t dim3=(hsize_t)num_bands; -+ herr_t ret=H5LTmake_dataset(h_spin,"eigenvalues",1,&dim3,H5T_NATIVE_DOUBLE,eigval); -+ H5Fflush(h_spin,H5F_SCOPE_GLOBAL); -+ //assert (ret >= 0); -+} -+ -+ -+ -+/* write eigen value and eigen vector for (ibnd, ispin) */ -+void F77_FUNC_(esh5_write_psi_g,ESH5_WRITE_PSI_G)(const int* ibnd -+ , const double* eigv, const int* ngtot -+ ) -+{ -+ char aname[64]; -+ sprintf(aname,"state_%i/psi_g",(*ibnd)-1); -+ hsize_t dims[2]; -+ dims[0] = (hsize_t)*ngtot; -+ dims[1] = 2; -+ // fprintf(stderr, "aname = %s ", aname); -+ // fprintf (stderr, " ngtot = %d\n", *ngtot); -+ herr_t ret=H5LTmake_dataset(h_spin,aname,2,dims,H5T_NATIVE_DOUBLE,eigv); -+ //assert (ret >= 0); -+} -+ -+/* write eigen value and eigen vector for (ibnd, ispin) */ -+void F77_FUNC_(esh5_write_psi_r,ESH5_WRITE_PSI_R)(const int* ibnd -+ , const double* eigr, const int* use_complex -+ ) -+{ -+ static int first_time=1; -+ //need to flag this if they are not the same -+ psi_r_is_complex=*use_complex; -+ char aname[64]; -+ sprintf(aname,"state_%i/psi_r",(*ibnd)-1); -+ hsize_t dims_out=(hsize_t)(psi_r_is_complex)?4:3; -+ hsize_t dims[4],dim1=1; -+ dims[0] = num_grid[0]; -+ dims[1] = num_grid[1]; -+ dims[2] = num_grid[2]; -+ dims[3] = 2; -+ herr_t ret=H5LTmake_dataset(h_spin,aname,dims_out,dims,H5T_NATIVE_DOUBLE,eigr); -+ if(first_time) -+ { -+ first_time=0; -+ hid_t pid=H5Dopen(h_ptcls,"psi_r_is_complex"); -+ if(pid<0) -+ ret=H5LTmake_dataset(h_ptcls,"psi_r_is_complex",1,&dim1,H5T_NATIVE_INT,&psi_r_is_complex); -+ else -+ ret = H5Dwrite(pid, H5T_NATIVE_INT, H5S_ALL, H5S_ALL, H5P_DEFAULT,&psi_r_is_complex); -+ } -+} -+ -+ -+/** open density group and write its grid properties -+ * @param gint G in reduced coordinates -+ * @param ngm number of g vectors -+ * @param nr1s grid of the first direction -+ * @param nr2s grid of the second direction -+ * @param nr3s grid of the third direction -+ * -+ * The ordering of gvectors is handled by pwscf. -+ */ -+void F77_FUNC_(esh5_open_density,ESH5_OPEN_DENSITY)(const int* gint -+ , const int* ngm, int *nr1s, int *nr2s, int *nr3s) -+{ -+ num_grid[0]=*nr1s; -+ num_grid[1]=*nr2s; -+ num_grid[2]=*nr3s; -+ num_gvectors=*ngm; -+ -+ h_density = H5Gcreate(h_ptcls,"density",0); -+ hsize_t dim3=3; -+ herr_t ret=H5LTmake_dataset(h_density,"mesh",1,&dim3,H5T_NATIVE_INT,num_grid); -+ -+ // { -+ // int *ig=(int*)malloc(3*num_gvectors*sizeof(int)); -+ // for(int i=0,i3=0; i= 0); -+ // free(ig); -+ // } -+ hsize_t gdims[2]; -+ gdims[0] = (hsize_t)num_gvectors; -+ gdims[1] = (hsize_t)3; -+ ret=H5LTmake_dataset(h_density,"gvectors",2,gdims,H5T_NATIVE_INT,gint); -+ -+ hsize_t dim1=1; -+ ret=H5LTmake_dataset(h_density,"number_of_gvectors",1, -+ &dim1,H5T_NATIVE_INT,ngm); -+} -+ -+/** open density group and write its grid properties -+ * @param nr1s grid of the first direction -+ * @param nr2s grid of the second direction -+ * @param nr3s grid of the third direction -+ */ -+void F77_FUNC_(esh5_open_density_r,ESH5_OPEN_DENSITY_R)(int *nr1s, int *nr2s, int *nr3s -+ ) -+{ -+ printf("ARE YOU GONE MAD \n"); -+ num_grid[0]=*nr1s; -+ num_grid[1]=*nr2s; -+ num_grid[2]=*nr3s; -+ -+ h_density = H5Gcreate(h_ptcls,"density",0); -+ hsize_t dim3=3; -+ herr_t ret=H5LTmake_dataset(h_density,"mesh",1,&dim3,H5T_NATIVE_INT,num_grid); -+} -+ -+void F77_FUNC_(esh5_close_density,ESH5_CLOSE_DENSITY)() -+{ -+ H5Gclose(h_density); -+} -+ -+/* write eigen value and eigen vector for (ibnd, ispin) */ -+void F77_FUNC_(esh5_write_density_r,ESH5_WRITE_DENSITY_R)(const int* ispin,const double* rho) -+{ -+ char aname[8]; -+ sprintf(aname,"spin_%i",(*ispin)-1); -+ /*hid_t h2 = H5Gcreate(h_density,aname,0);*/ -+ hid_t h2 = H5Gopen(h_density,aname); -+ /* write eigenvector */ -+ hsize_t dims[3]; -+ for(int i=0; i<3; ++i) dims[i] = num_grid[i]; -+ herr_t ret=H5LTmake_dataset(h2,"density_r",3,dims,H5T_NATIVE_DOUBLE,rho); -+ H5Gclose(h2); -+} -+ -+void F77_FUNC_(esh5_write_density_g,ESH5_WRITE_DENSITY_G) -+ (const int* ispin , const double* rhog) -+{ -+ char aname[8]; -+ sprintf(aname,"spin_%i",(*ispin)-1); -+ /*hid_t h2 = H5Gopen(h_density,aname);*/ -+ hid_t h2 = H5Gcreate(h_density,aname,0); -+ hsize_t dims_g[2]; -+ dims_g[0]=num_gvectors; -+ dims_g[1]=2; -+ herr_t ret=H5LTmake_dataset(h2,"density_g",2,dims_g,H5T_NATIVE_DOUBLE,rhog); -+ H5Gclose(h2); -+} -+ -+/** write basisset: number of plane waves, plane wave coefficients -+ */ -+ void F77_FUNC_(esh5_write_gvectors,ESH5_WRITE_GVECTORS) -+(const int* restrict itmp, const int* restrict igwk, int* ngk_g) -+{ -+ -+ int ngtot=*ngk_g; -+ -+ //printf("esh5_write_gvectors number_of_gvectors %d\n",ngtot); -+ -+ if(ngtot>num_gvectors_max) -+ { -+ //free the space -+ if(num_gvectors_max) free(igmapped); -+ num_gvectors_max=ngtot; -+ igmapped=(int*)malloc(3*ngtot*sizeof(int)); -+ } -+ -+ for(int ig=0,i3=0; ig=0) H5Gclose(h_main); -+// h_main = H5Gcreate(h_file,"electrons",0); -+// //h_main = H5Gcreate(h_file,"eigenstates",0); -+//} -+// -+///* close eigenstates */ -+//void F77_FUNC_(esh5_close_eigg,ESH5_CLOSE_EIGG)() -+//{ -+// if(h_main>=0) H5Gclose(h_main); -+// h_main=-1; -+//} -+ -+void F77_FUNC_(esh5_write_rho,ESH5_WRITE_RHO)(const double* rho, const double* rhog, const int* ngm) -+{ -+ hid_t h1 = H5Gcreate(h_ptcls,"density",0); -+ -+ hsize_t dim3=3; -+ herr_t ret=H5LTmake_dataset(h1,"mesh",1,&dim3,H5T_NATIVE_INT,num_grid); -+ -+ hid_t h2 = H5Gcreate(h1,"spin_0",0); -+ /* write eigenvector */ -+ hsize_t dims[3]; -+ dims[0] = num_grid[0]; -+ dims[1] = num_grid[1]; -+ dims[2] = num_grid[2]; -+ -+ ret=H5LTmake_dataset(h2,"density_r",3,dims,H5T_NATIVE_DOUBLE,rho); -+ hsize_t dims_g[2]; -+ dims_g[0]=*ngm; -+ dims_g[1]=2; -+ ret=H5LTmake_dataset(h2,"density_g",1,dims_g,H5T_NATIVE_DOUBLE,rhog); -+ H5Gclose(h2); -+ H5Gclose(h1); -+ /* -+ hsize_t gdims[2]; -+ gdims[0]=ngm; -+ gdims[1]=2; -+ dataspace = H5Screate_simple(2, gdims, NULL); -+ dataset = H5Dcreate(h_file, "chargedensity_g", H5T_NATIVE_DOUBLE, dataspace, H5P_DEFAULT); -+ ret = H5Dwrite(dataset, H5T_NATIVE_DOUBLE, H5S_ALL, H5S_ALL, H5P_DEFAULT,rhog); -+ H5Sclose(dataspace); -+ H5Dclose(dataset); -+ */ -+ -+ /* testing with paraview/vtk -+ if(is_gamma) -+ { -+ char vtkname[32]; -+ sprintf(vtkname,"band%i.vtk",(*ibnd)-1); -+ FILE *vtk=fopen(vtkname,"w"); -+ -+ fprintf(vtk,"# vtk DataFile Version 3.0\n"); -+ fprintf(vtk,"vtk output\n"); -+ fprintf(vtk,"ASCII\n"); -+ fprintf(vtk,"DATASET STRUCTURED_POINTS\n"); -+ fprintf(vtk,"DIMENSIONS %i %i %i\n",h_ngrid[0],h_ngrid[1],h_ngrid[2]); -+ fprintf(vtk,"ORIGIN 0 0 0\n"); -+ fprintf(vtk,"SPACING 1 1 1\n"); -+ fprintf(vtk,"\nPOINT_DATA %i\n",h_ngridtot); -+ fprintf(vtk,"SCALARS scalars float\n"); -+ fprintf(vtk,"LOOKUP_TABLE default\n"); -+ -+ for(int i=0,i2=0; i=0) H5Fclose(h_file); -+ -+ h_file = H5Fopen(hfname,H5F_ACC_RDWR,H5P_DEFAULT); -+ h_ptcls = H5Gopen(h_file,"electrons"); -+ if (h_ptcls<0) -+ { -+ printf("Something is wrong"); -+ printf( hfname ); -+ return; -+ } -+ -+ // go through each pool and copy the datasets over in the right places -+ for( int i=1;i< *npools;i++) -+ { -+ char name2[*length+10]; -+ int len2=0; -+ len2 = sprintf(name2,"%s_part%u",hfname,i); -+ -+ char * othername = ( char * ) malloc( (len2) + 1 ) ; -+ memcpy( othername , name2 , len2 ) ; -+ othername[len2] = '\0' ; -+ -+// printf("%s %s",name2,othername); -+ -+ hid_t h_file2 = H5Fopen(othername,H5F_ACC_RDONLY,H5P_DEFAULT); -+ hid_t h_ptcls2 = H5Gopen(h_file2,"electrons"); -+ -+ if(h_ptcls2 < 0) -+ { -+ printf("WHOAAA!!! No electrons?!"); -+ return; -+ } -+ else -+ { -+ // create kpoint/spin/state groups -+ for(int ik=0; ik=0) H5Fclose(h_file2); -+ remove(othername); -+ } -+ H5Gclose(h_ptcls); -+ if(h_file>=0) H5Fclose(h_file); -+ h_file=-1; -+ H5Eset_auto (err_func, client_data); -+} -+ -+#endif -diff -urN espresso-5.3.0-orig/clib/make.depend espresso-5.3.0-new/clib/make.depend ---- espresso-5.3.0-orig/clib/make.depend 2016-01-09 02:23:51.000000000 -0600 -+++ espresso-5.3.0-new/clib/make.depend 2016-08-29 20:13:54.925433086 -0500 -@@ -1,5 +1,6 @@ - c_mkdir.o : ../include/c_defs.h - cptimer.o : ../include/c_defs.h -+esh5_interfaces.o : ../include/c_defs.h - eval_infix.o : ../include/c_defs.h - indici.o : ../include/c_defs.h - md5.o : -diff -urN espresso-5.3.0-orig/clib/Makefile espresso-5.3.0-new/clib/Makefile ---- espresso-5.3.0-orig/clib/Makefile 2016-01-09 02:23:51.000000000 -0600 -+++ espresso-5.3.0-new/clib/Makefile 2016-08-29 20:13:54.921433117 -0500 -@@ -16,12 +16,18 @@ - ptrace.o \ - qsort.o - -+C99_OBJS = \ -+esh5_interfaces.o -+ - all : clib.a - --clib.a : $(OBJS) -+clib.a : $(OBJS) $(C99_OBJS) - $(AR) $(ARFLAGS) $@ $? - $(RANLIB) $@ - -+esh5_interfaces.o : esh5_interfaces.c -+ $(CC) $(CFLAGS) $(CFLAGS_C99) -c $< -+ - source : - co -l $(OBJS:.o=.c) - -diff -urN espresso-5.3.0-orig/install/aclocal.m4 espresso-5.3.0-new/install/aclocal.m4 ---- espresso-5.3.0-orig/install/aclocal.m4 2016-01-09 02:24:17.000000000 -0600 -+++ espresso-5.3.0-new/install/aclocal.m4 2016-08-29 20:13:54.925433086 -0500 -@@ -25,6 +25,7 @@ - m4_include([m4/x_ac_qe_f90rule.m4]) - m4_include([m4/x_ac_qe_fft.m4]) - m4_include([m4/x_ac_qe_fftw_pointer.m4]) -+m4_include([m4/x_ac_qe_hdf5.m4]) - m4_include([m4/x_ac_qe_lapack.m4]) - m4_include([m4/x_ac_qe_ld.m4]) - m4_include([m4/x_ac_qe_mass.m4]) -diff -urN espresso-5.3.0-orig/install/autom4te.cache/output.0 espresso-5.3.0-new/install/autom4te.cache/output.0 ---- espresso-5.3.0-orig/install/autom4te.cache/output.0 1969-12-31 18:00:00.000000000 -0600 -+++ espresso-5.3.0-new/install/autom4te.cache/output.0 2016-08-29 20:13:54.929433052 -0500 -@@ -0,0 +1,11494 @@ -+@%:@! /bin/sh -+@%:@ Guess values for system-dependent variables and create Makefiles. -+@%:@ Generated by GNU Autoconf 2.69 for ESPRESSO 5.3.0. -+@%:@ -+@%:@ -+@%:@ Copyright (C) 1992-1996, 1998-2012 Free Software Foundation, Inc. -+@%:@ -+@%:@ -+@%:@ This configure script is free software; the Free Software Foundation -+@%:@ gives unlimited permission to copy, distribute and modify it. -+## -------------------- ## -+## M4sh Initialization. ## -+## -------------------- ## -+ -+# Be more Bourne compatible -+DUALCASE=1; export DUALCASE # for MKS sh -+if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then : -+ emulate sh -+ NULLCMD=: -+ # Pre-4.2 versions of Zsh do word splitting on ${1+"$@"}, which -+ # is contrary to our usage. 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" >&6; } -+ case $arch in -+ aix ) -+ try_arflags="-X64 ruv" -+ ;; -+ necsx ) -+ try_arflags="rv" -+ ;; -+ ppc64 | ppc64-mn | ppc64-bg | ppc64-bgq ) -+ # PowerPC, PowerPC MareNostrum, BG/P, BQ/Q -+ try_arflags="ruv" -+ ;; -+ esac -+ if test "$arflags" = "" ; then arflags="$try_arflags" ; fi -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${arflags}" >&5 -+$as_echo "${arflags}" >&6; } -+ -+ -+ -+ -+ -+# Checking MPIF90... -+ac_ext=${ac_fc_srcext-f} -+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5' -+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_fc_compiler_gnu -+if test -n "$ac_tool_prefix"; then -+ for ac_prog in gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor xlf90 f90 pgf90 pghpf epcf90 g77 xlf f77 frt pgf77 cf77 fort77 fl32 af77 -+ do -+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. -+set dummy $ac_tool_prefix$ac_prog; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if ${ac_cv_prog_FC+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$FC"; then -+ ac_cv_prog_FC="$FC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then -+ ac_cv_prog_FC="$ac_tool_prefix$ac_prog" -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+ done -+IFS=$as_save_IFS -+ -+fi -+fi -+FC=$ac_cv_prog_FC -+if test -n "$FC"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $FC" >&5 -+$as_echo "$FC" >&6; } -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$FC" && break -+ done -+fi -+if test -z "$FC"; then -+ ac_ct_FC=$FC -+ for ac_prog in gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor xlf90 f90 pgf90 pghpf epcf90 g77 xlf f77 frt pgf77 cf77 fort77 fl32 af77 -+do -+ # Extract the first word of "$ac_prog", so it can be a program name with args. -+set dummy $ac_prog; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if ${ac_cv_prog_ac_ct_FC+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$ac_ct_FC"; then -+ ac_cv_prog_ac_ct_FC="$ac_ct_FC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then -+ ac_cv_prog_ac_ct_FC="$ac_prog" -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+ done -+IFS=$as_save_IFS -+ -+fi -+fi -+ac_ct_FC=$ac_cv_prog_ac_ct_FC -+if test -n "$ac_ct_FC"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_FC" >&5 -+$as_echo "$ac_ct_FC" >&6; } -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$ac_ct_FC" && break -+done -+ -+ if test "x$ac_ct_FC" = x; then -+ FC="" -+ else -+ case $cross_compiling:$ac_tool_warned in -+yes:) -+{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 -+$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} -+ac_tool_warned=yes ;; -+esac -+ FC=$ac_ct_FC -+ fi -+fi -+ -+ -+# Provide some information about the compiler. -+$as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran compiler version" >&5 -+set X $ac_compile -+ac_compiler=$2 -+for ac_option in --version -v -V -qversion; do -+ { { ac_try="$ac_compiler $ac_option >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_compiler $ac_option >&5") 2>conftest.err -+ ac_status=$? -+ if test -s conftest.err; then -+ sed '10a\ -+... rest of stderr output deleted ... -+ 10q' conftest.err >conftest.er1 -+ cat conftest.er1 >&5 -+ fi -+ rm -f conftest.er1 conftest.err -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; } -+done -+rm -f a.out -+ -+# If we don't use `.F' as extension, the preprocessor is not run on the -+# input file. (Note that this only needs to work for GNU compilers.) -+ac_save_ext=$ac_ext -+ac_ext=F -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU Fortran compiler" >&5 -+$as_echo_n "checking whether we are using the GNU Fortran compiler... 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" >&6; } -+if ${ac_cv_prog_fc_g+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ FCFLAGS=-g -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+if ac_fn_fc_try_compile "$LINENO"; then : -+ ac_cv_prog_fc_g=yes -+else -+ ac_cv_prog_fc_g=no -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_fc_g" >&5 -+$as_echo "$ac_cv_prog_fc_g" >&6; } -+if test "$ac_test_FCFLAGS" = set; then -+ FCFLAGS=$ac_save_FCFLAGS -+elif test $ac_cv_prog_fc_g = yes; then -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-g -O2" -+ else -+ FCFLAGS="-g" -+ fi -+else -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-O2" -+ else -+ FCFLAGS= -+ fi -+fi -+ -+if test $ac_compiler_gnu = yes; then -+ GFC=yes -+else -+ GFC= -+fi -+ac_ext=${ac_fc_srcext-f} -+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5' -+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_fc_compiler_gnu -+ -+ -+ -+ -+@%:@ Check whether --enable-parallel was given. -+if test "${enable_parallel+set}" = set; then : -+ enableval=$enable_parallel; set_use_parallel=1 -+ if test "$enableval" = "yes" ; then -+ use_parallel=1 -+ else -+ use_parallel=0 -+ fi -+else -+ set_use_parallel=0 use_parallel=1 -+fi -+ -+ -+# candidate fortran compilers good for all cases -+try_mpif90="mpif90" -+try_f90="gfortran g95 f90" -+ -+# candidate compilers and flags based on architecture -+case $arch in -+ia32 | ia64 | x86_64 ) -+ try_f90="ifort pgf90 pathf95 sunf95 openf95 nagfor $try_f90" -+ ;; -+arm ) -+ try_f90="$try_f90" -+ ;; -+solaris ) -+ try_f90="sunf95 $try_f90" -+ ;; -+aix ) -+ try_mpif90="mpxlf90_r mpxlf90" -+ try_f90="xlf90_r xlf90 $try_f90" -+ try_dflags="-D__AIX -D__XLF" -+ ;; -+crayxt* ) -+ try_f90="ftn" -+ try_mpif90="ftn" -+ ;; -+mac686 | cygwin ) -+ try_f90="ifort $try_f90" -+ ;; -+mingw* ) -+ ld="$F90" -+ # this is set for C/C++, but we need it for Fortran, too. -+ try_dflags="-D_WIN32" -+ ;; -+necsx ) -+ sxopt=`echo $host|awk '{print substr(,1,3)}'` -+ echo $sxopt $host -+ try_mpif90="sxmpif90" -+ try_f90="sxf90" -+ try_dflags='-D__SX6 ' -+ use_fft_asl=0 -+ use_fft_mathkeisan=1 -+ use_fft_para=0 -+# default for Nec: no parallel unless explicitly required -+ if test "$set_use_parallel" -ne 1 ; then use_parallel=0 ; fi -+ if test "$use_parallel" -eq 1 ; then use_fft_para=1 ; fi -+ try_dflags_fft_asl='-DASL' -+ try_dflags_fft_mathkeisan=' ' -+ try_dflags_fft_para='-D__USE_3D_FFT' -+ ;; -+ppc64 ) -+ try_mpif90="mpxlf90_r mpf90_r mpif90" -+ try_f90="xlf90_r $try_f90" -+ try_dflags="-D__XLF" -+ ;; -+# PowerPC MareNostrum -+ppc64-mn ) -+ try_f90="xlf90_r" -+ try_dflags="-D__XLF" -+ ;; -+# IBM BlueGene -+ppc64-bg | ppc64-bgq ) -+ if test "$use_openmp" -eq 0 ; then -+ try_mpif90="mpixlf90" -+ try_f90="bgxlf90" -+ else -+ try_mpif90="mpixlf90_r" -+ # Executable paths are usually consistent across several -+ # IBM BG/P BG/Q machine deployed -+ ld="/bgsys/drivers/ppcfloor/comm/xl.ndebug/bin/mpixlf90_r" -+ try_f90="bgxlf90_r" -+ fi -+ try_arflags="ruv" -+ try_dflags="-D__XLF" -+ ;; -+* ) -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: $arch : unsupported architecture?" >&5 -+$as_echo "$as_me: WARNING: $arch : unsupported architecture?" >&2;} -+ ;; -+esac -+ -+# check serial Fortran 90 compiler. This must be done before performing -+# the check for the parallel compiler (section below) because option -+# --disable-parallel will do very strange things otherwise. The reason -+# seems to be that autoconf does not repeat all tests for the second -+# occurrence of AC_PROG_FC. So the first occurrence is the one that -+# must always be performed, the second is optional. PG & CC sep.2006 -+ -+# use F90 if set -+if test "$f90" = "" ; then f90="$try_f90" ; fi -+ac_ext=${ac_fc_srcext-f} -+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5' -+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_fc_compiler_gnu -+if test -n "$ac_tool_prefix"; then -+ for ac_prog in $f90 -+ do -+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. -+set dummy $ac_tool_prefix$ac_prog; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... 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" >&6; } -+if ${ac_cv_fc_compiler_gnu+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ cat > conftest.$ac_ext <<_ACEOF -+ program main -+#ifndef __GNUC__ -+ choke me -+#endif -+ -+ end -+_ACEOF -+if ac_fn_fc_try_compile "$LINENO"; then : -+ ac_compiler_gnu=yes -+else -+ ac_compiler_gnu=no -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ac_cv_fc_compiler_gnu=$ac_compiler_gnu -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_fc_compiler_gnu" >&5 -+$as_echo "$ac_cv_fc_compiler_gnu" >&6; } -+ac_ext=$ac_save_ext -+ac_test_FCFLAGS=${FCFLAGS+set} -+ac_save_FCFLAGS=$FCFLAGS -+FCFLAGS= -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $FC accepts -g" >&5 -+$as_echo_n "checking whether $FC accepts -g... " >&6; } -+if ${ac_cv_prog_fc_g+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ FCFLAGS=-g -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+if ac_fn_fc_try_compile "$LINENO"; then : -+ ac_cv_prog_fc_g=yes -+else -+ ac_cv_prog_fc_g=no -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_fc_g" >&5 -+$as_echo "$ac_cv_prog_fc_g" >&6; } -+if test "$ac_test_FCFLAGS" = set; then -+ FCFLAGS=$ac_save_FCFLAGS -+elif test $ac_cv_prog_fc_g = yes; then -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-g -O2" -+ else -+ FCFLAGS="-g" -+ fi -+else -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-O2" -+ else -+ FCFLAGS= -+ fi -+fi -+ -+if test $ac_compiler_gnu = yes; then -+ GFC=yes -+else -+ GFC= -+fi -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ else -+ ac_ext=${ac_fc_srcext-f} -+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5' -+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_fc_compiler_gnu -+if test -n "$ac_tool_prefix"; then -+ for ac_prog in $mpif90 -+ do -+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. -+set dummy $ac_tool_prefix$ac_prog; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if ${ac_cv_prog_FC+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$FC"; then -+ ac_cv_prog_FC="$FC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then -+ ac_cv_prog_FC="$ac_tool_prefix$ac_prog" -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+ done -+IFS=$as_save_IFS -+ -+fi -+fi -+FC=$ac_cv_prog_FC -+if test -n "$FC"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $FC" >&5 -+$as_echo "$FC" >&6; } -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$FC" && break -+ done -+fi -+if test -z "$FC"; then -+ ac_ct_FC=$FC -+ for ac_prog in $mpif90 -+do -+ # Extract the first word of "$ac_prog", so it can be a program name with args. -+set dummy $ac_prog; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if ${ac_cv_prog_ac_ct_FC+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$ac_ct_FC"; then -+ ac_cv_prog_ac_ct_FC="$ac_ct_FC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then -+ ac_cv_prog_ac_ct_FC="$ac_prog" -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+ done -+IFS=$as_save_IFS -+ -+fi -+fi -+ac_ct_FC=$ac_cv_prog_ac_ct_FC -+if test -n "$ac_ct_FC"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_FC" >&5 -+$as_echo "$ac_ct_FC" >&6; } -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$ac_ct_FC" && break -+done -+ -+ if test "x$ac_ct_FC" = x; then -+ FC="" -+ else -+ case $cross_compiling:$ac_tool_warned in -+yes:) -+{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 -+$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} -+ac_tool_warned=yes ;; -+esac -+ FC=$ac_ct_FC -+ fi -+fi -+ -+ -+# Provide some information about the compiler. -+$as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran compiler version" >&5 -+set X $ac_compile -+ac_compiler=$2 -+for ac_option in --version -v -V -qversion; do -+ { { ac_try="$ac_compiler $ac_option >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_compiler $ac_option >&5") 2>conftest.err -+ ac_status=$? -+ if test -s conftest.err; then -+ sed '10a\ -+... rest of stderr output deleted ... -+ 10q' conftest.err >conftest.er1 -+ cat conftest.er1 >&5 -+ fi -+ rm -f conftest.er1 conftest.err -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; } -+done -+rm -f a.out -+ -+# If we don't use `.F' as extension, the preprocessor is not run on the -+# input file. (Note that this only needs to work for GNU compilers.) -+ac_save_ext=$ac_ext -+ac_ext=F -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU Fortran compiler" >&5 -+$as_echo_n "checking whether we are using the GNU Fortran compiler... " >&6; } -+if ${ac_cv_fc_compiler_gnu+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ cat > conftest.$ac_ext <<_ACEOF -+ program main -+#ifndef __GNUC__ -+ choke me -+#endif -+ -+ end -+_ACEOF -+if ac_fn_fc_try_compile "$LINENO"; then : -+ ac_compiler_gnu=yes -+else -+ ac_compiler_gnu=no -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ac_cv_fc_compiler_gnu=$ac_compiler_gnu -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_fc_compiler_gnu" >&5 -+$as_echo "$ac_cv_fc_compiler_gnu" >&6; } -+ac_ext=$ac_save_ext -+ac_test_FCFLAGS=${FCFLAGS+set} -+ac_save_FCFLAGS=$FCFLAGS -+FCFLAGS= -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $FC accepts -g" >&5 -+$as_echo_n "checking whether $FC accepts -g... " >&6; } -+if ${ac_cv_prog_fc_g+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ FCFLAGS=-g -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+if ac_fn_fc_try_compile "$LINENO"; then : -+ ac_cv_prog_fc_g=yes -+else -+ ac_cv_prog_fc_g=no -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_fc_g" >&5 -+$as_echo "$ac_cv_prog_fc_g" >&6; } -+if test "$ac_test_FCFLAGS" = set; then -+ FCFLAGS=$ac_save_FCFLAGS -+elif test $ac_cv_prog_fc_g = yes; then -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-g -O2" -+ else -+ FCFLAGS="-g" -+ fi -+else -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-O2" -+ else -+ FCFLAGS= -+ fi -+fi -+ -+if test $ac_compiler_gnu = yes; then -+ GFC=yes -+else -+ GFC= -+fi -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+# this avoids that an empty MPIF90 field is produced if the corresponding -+# environment variable MPIF90 does not contain an acceptable compiler -+ if test "$FC" = "" ; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: MPIF90 not found: using MPIF90 anyway" >&5 -+$as_echo "$as_me: WARNING: MPIF90 not found: using MPIF90 anyway" >&2;} -+ FC=$MPIF90 -+ fi -+ fi -+ mpif90=$FC -+fi -+ -+# check which compiler does mpif90 wrap -+ -+case "$arch" in -+ ia32 | ia64 | x86_64 | mac686 ) -+ echo $ECHO_N "checking version of $mpif90... $ECHO_C" -+ ifort_version=`$mpif90 -V 2>&1 | grep "Intel(R)"` -+ sunf95_version=`$mpif90 -V 2>&1 | grep "Sun Fortran"` -+ openf95_version=`$mpif90 -V 2>&1 | grep "^Open64"` -+ pgf_version=`$mpif90 -V 2>&1 | grep "^pgf"` -+ g95_version=`$mpif90 -v 2>&1 | grep "g95"` -+ enzo_version=`$mpif90 -v 2>&1 | grep "PathScale ENZO"` -+ eko_version=`$mpif90 -v 2>&1 | grep "PathScale EKOPath"` -+ pathf95_version=`$mpif90 -v 2>&1 | grep "PathScale"` -+ gfortran_version=`$mpif90 -v 2>&1 | grep "gcc version"` -+ nagfor_version=`$mpif90 -v 2>&1 | grep "NAG Fortran"` -+ # -+ if test "$ifort_version" != "" -+ then -+ version=`$mpif90 -V 2>&1 | grep Version | -+ sed 's/.*Version//' | awk '{print }'` -+ ifort_version=`echo $version | sed 's/\..*//'` -+ echo "${ECHO_T}ifort $version" -+ f90_in_mpif90="ifort" -+ if test "$ifort_version" -gt 8; then -+ # flags for MKL - ifort 9 and later -+ MKL_LIBS="" -+ if test "$ifort_version" -gt 9; then -+ MKL_FLAGS="-static-intel" -+ else -+ MKL_FLAGS="-i-static" -+ fi -+ else -+ # flags for MKL - ifort 8 and earlier, obsolescent -+ MKL_LIBS="-lguide -lpthread" -+ MKL_FLAGS="" -+ fi -+ elif test "$sunf95_version" != "" -+ then -+ version=`echo $sunf95_version | awk '{print }'` -+ echo "${ECHO_T}sunf95 $version" -+ f90_in_mpif90="sunf95" -+ elif test "$openf95_version" != "" -+ then -+ version=`echo $openf95_version | awk '{print }'` -+ echo "${ECHO_T}openf95 $version" -+ f90_in_mpif90="openf95" -+ elif test "$pgf_version" != "" -+ then -+ version=`echo $pgf_version | awk '{print }'` -+ echo "${ECHO_T}pgf90 $version" -+ f90_in_mpif90="pgf90" -+ # flag to test MKL with PGI -+ MKL_FLAGS="-pgf90libs" -+ elif test "$enzo_version" != "" -+ then -+ version=`echo $enzo_version | awk '{print }'` -+ echo "${ECHO_T}pathf95 $version" -+ f90_in_mpif90="pathf95" -+ elif test "$eko_version" != "" -+ then -+ version=`echo $eko_version | awk '{print }'` -+ echo "${ECHO_T}pathf95 $version" -+ f90_in_mpif90="pathf95" -+ elif test "$g95_version" != "" -+ then -+ version=`echo $g95_version | awk '{print }'` -+ echo "${ECHO_T}g95 $version" -+ f90_in_mpif90="g95" -+ elif test "$pathf95_version" != "" -+ then -+ version=`echo $pathf95_version | awk '{print }'` -+ echo "${ECHO_T}pathf95 $version" -+ f90_in_mpif90="pathf95" -+ elif test "$gfortran_version" != "" -+ then -+ version=`echo $gfortran_version | awk '{print }'` -+ echo "${ECHO_T}gfortran $version" -+ f90_in_mpif90="gfortran" -+ elif test "$nagfor_version" != "" -+ then -+ # NAG 6.0 has the codename attached to version number... annoying -+ version=`echo $nagfor_version | awk '{print }'` -+ echo "${ECHO_T}nagfor $version" -+ f90_in_mpif90="nagfor" -+ else -+ echo "${ECHO_T}unknown, assuming gfortran" -+ f90_in_mpif90="gfortran" -+ fi -+ # check if serial and parallel compiler are the same -+ if test "$f90" != "$f90_in_mpif90"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: parallel compiler $mpif90 uses $f90_in_mpif90, but serial compiler $f90 was detected" >&5 -+$as_echo "$as_me: WARNING: parallel compiler $mpif90 uses $f90_in_mpif90, but serial compiler $f90 was detected" >&2;} -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: assuming F90=$f90_in_mpif90, discarding $f90" >&5 -+$as_echo "$as_me: WARNING: assuming F90=$f90_in_mpif90, discarding $f90" >&2;} -+ fi -+ f90=$f90_in_mpif90 -+ ;; -+esac -+ -+echo setting F90... $f90 -+echo setting MPIF90... $mpif90 -+ -+case "$f90" in -+f90 | fc | ftn ) -+ echo $ECHO_N "checking version wrapped by $f90 command... $ECHO_C" -+ -+ if $f90 -V 2>&1 | grep -q "Intel(R)" ; then -+ f90_version=ifort -+ elif $f90 -V 2>&1 | grep -q "Sun Fortran" ; then -+ f90_version=sunf95 -+ elif $f90 -V 2>&1 | grep -q "^Open64" ; then -+ f90_version=openf95 -+ elif $f90 -V 2>&1 | grep -q "^pgf" ; then -+ f90_version=pgf -+ elif $f90 -v 2>&1 | grep -q "PathScale ENZO" ; then -+ f90_version=pathf95 -+ elif $f90 -v 2>&1 | grep -q "PathScale EKOPath" ; then -+ f90_version=pathf95 -+ elif $f90 -version 2>&1 | grep -q "PathScale" ; then -+ f90_version=pathf95 -+ elif $f90 -v 2>&1 | grep -q "g95" ; then -+ f90_version=g95 -+ elif $f90 -v 2>&1 | grep -q "gcc version" ; then -+ f90_version=gfortran -+ elif $f90 -V 2>&1 | grep -q "Cray Fortran" ; then -+ f90_version=crayftn -+ elif $f90 -version 2>&1 | grep -q "NAG Fortran" ; then -+ f90_version=nagfor -+ else -+ echo $ECHO_N "unknown, leaving as... $ECHO_C" -+ f90_version=$f90 -+ fi -+ echo $f90_version -+ ;; -+* ) -+ f90_version=$f90 -+ ;; -+esac -+ -+ -+ -+ -+ -+ -+# Check environ... -+ -+ -+ @%:@ Check whether --enable-environment was given. -+if test "${enable_environment+set}" = set; then : -+ enableval=$enable_environment; if test "$enableval" = "yes" ; then -+ enable_environment=1 -+ else -+ enable_environment=0 -+ fi -+else -+ enable_environment=0 -+fi -+ -+ -+ if test "$enable_environment" -eq 1 ; -+ then -+ try_dflags="$try_dflags -D__ENVIRONMENT" -+ fi -+ -+ -+ -+ -+# Checking MPIF90... -+ -+ -+# candidate C and f77 compilers good for all cases -+try_cc="cc gcc" -+ -+case "$arch:$f90_version" in -+*:ifort* ) -+ try_cc="icc ecc $try_cc" -+ ;; -+*:pgf90 ) -+ try_cc="pgcc $try_cc" -+ ;; -+*:pathf95 ) -+ try_cc="pathcc $try_cc" -+ ;; -+*:sunf95 ) -+ try_cc="suncc $try_cc" -+ ;; -+*:openf95 ) -+ try_cc="opencc $try_cc" -+ ;; -+aix:*xlf*_r ) -+ try_cc="xlc_r $try_cc" -+ ;; -+aix:*xlf* ) -+ try_cc="xlc $try_cc" -+ ;; -+cray*:* ) -+ try_cc="cc" -+ ;; -+necsx:* ) -+ try_cc="sxcc" -+ ;; -+ppc64-bg*:*xlf90_r ) -+ try_cc="bgxlc_r" -+ ;; -+ppc64-bg*:*xlf90 ) -+ try_cc="bgxlc" -+ ;; -+ppc64:*xlf* | ppc64-mn:*xlf* ) -+ try_cc="xlc_r $try_cc" -+ ;; -+esac -+ -+# check serial C compiler -+if test "$env_cc" = "" ; then cc="$try_cc" ; else cc="$env_cc"; fi -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+if test -n "$ac_tool_prefix"; then -+ for ac_prog in $cc -+ do -+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. -+set dummy $ac_tool_prefix$ac_prog; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if ${ac_cv_prog_CC+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$CC"; then -+ ac_cv_prog_CC="$CC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then -+ ac_cv_prog_CC="$ac_tool_prefix$ac_prog" -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+ done -+IFS=$as_save_IFS -+ -+fi -+fi -+CC=$ac_cv_prog_CC -+if test -n "$CC"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $CC" >&5 -+$as_echo "$CC" >&6; } -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$CC" && break -+ done -+fi -+if test -z "$CC"; then -+ ac_ct_CC=$CC -+ for ac_prog in $cc -+do -+ # Extract the first word of "$ac_prog", so it can be a program name with args. -+set dummy $ac_prog; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if ${ac_cv_prog_ac_ct_CC+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$ac_ct_CC"; then -+ ac_cv_prog_ac_ct_CC="$ac_ct_CC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then -+ ac_cv_prog_ac_ct_CC="$ac_prog" -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+ done -+IFS=$as_save_IFS -+ -+fi -+fi -+ac_ct_CC=$ac_cv_prog_ac_ct_CC -+if test -n "$ac_ct_CC"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_CC" >&5 -+$as_echo "$ac_ct_CC" >&6; } -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$ac_ct_CC" && break -+done -+ -+ if test "x$ac_ct_CC" = x; then -+ CC="" -+ else -+ case $cross_compiling:$ac_tool_warned in -+yes:) -+{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 -+$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} -+ac_tool_warned=yes ;; -+esac -+ CC=$ac_ct_CC -+ fi -+fi -+ -+ -+test -z "$CC" && { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+as_fn_error $? "no acceptable C compiler found in \$PATH -+See \`config.log' for more details" "$LINENO" 5; } -+ -+# Provide some information about the compiler. -+$as_echo "$as_me:${as_lineno-$LINENO}: checking for C compiler version" >&5 -+set X $ac_compile -+ac_compiler=$2 -+for ac_option in --version -v -V -qversion; do -+ { { ac_try="$ac_compiler $ac_option >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_compiler $ac_option >&5") 2>conftest.err -+ ac_status=$? -+ if test -s conftest.err; then -+ sed '10a\ -+... rest of stderr output deleted ... -+ 10q' conftest.err >conftest.er1 -+ cat conftest.er1 >&5 -+ fi -+ rm -f conftest.er1 conftest.err -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; } -+done -+ -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU C compiler" >&5 -+$as_echo_n "checking whether we are using the GNU C compiler... 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"no acceptable egrep could be found in $PATH$PATH_SEPARATOR/usr/xpg4/bin" "$LINENO" 5 -+ fi -+else -+ ac_cv_path_EGREP=$EGREP -+fi -+ -+ fi -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_path_EGREP" >&5 -+$as_echo "$ac_cv_path_EGREP" >&6; } -+ EGREP="$ac_cv_path_EGREP" -+ -+ -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for ANSI C header files" >&5 -+$as_echo_n "checking for ANSI C header files... " >&6; } -+if ${ac_cv_header_stdc+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext -+/* end confdefs.h. */ -+#include -+#include -+#include -+#include -+ -+int -+main () -+{ -+ -+ ; -+ return 0; -+} -+_ACEOF -+if ac_fn_c_try_compile "$LINENO"; then : -+ ac_cv_header_stdc=yes -+else -+ ac_cv_header_stdc=no -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+if test $ac_cv_header_stdc = yes; then -+ # SunOS 4.x string.h does not declare mem*, contrary to ANSI. -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext -+/* end confdefs.h. */ -+#include -+ -+_ACEOF -+if (eval "$ac_cpp conftest.$ac_ext") 2>&5 | -+ $EGREP "memchr" >/dev/null 2>&1; then : -+ -+else -+ ac_cv_header_stdc=no -+fi -+rm -f conftest* -+ -+fi -+ -+if test $ac_cv_header_stdc = yes; then -+ # ISC 2.0.2 stdlib.h does not declare free, contrary to ANSI. -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext -+/* end confdefs.h. */ -+#include -+ -+_ACEOF -+if (eval "$ac_cpp conftest.$ac_ext") 2>&5 | -+ $EGREP "free" >/dev/null 2>&1; then : -+ -+else -+ ac_cv_header_stdc=no -+fi -+rm -f conftest* -+ -+fi -+ -+if test $ac_cv_header_stdc = yes; then -+ # /bin/cc in Irix-4.0.5 gets non-ANSI ctype macros unless using -ansi. -+ if test "$cross_compiling" = yes; then : -+ : -+else -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext -+/* end confdefs.h. */ -+#include -+#include -+#if ((' ' & 0x0FF) == 0x020) -+# define ISLOWER(c) ('a' <= (c) && (c) <= 'z') -+# define TOUPPER(c) (ISLOWER(c) ? 'A' + ((c) - 'a') : (c)) -+#else -+# define ISLOWER(c) \ -+ (('a' <= (c) && (c) <= 'i') \ -+ || ('j' <= (c) && (c) <= 'r') \ -+ || ('s' <= (c) && (c) <= 'z')) -+# define TOUPPER(c) (ISLOWER(c) ? ((c) | 0x40) : (c)) -+#endif -+ -+#define XOR(e, f) (((e) && !(f)) || (!(e) && (f))) -+int -+main () -+{ -+ int i; -+ for (i = 0; i < 256; i++) -+ if (XOR (islower (i), ISLOWER (i)) -+ || toupper (i) != TOUPPER (i)) -+ return 2; -+ return 0; -+} -+_ACEOF -+if ac_fn_c_try_run "$LINENO"; then : -+ -+else -+ ac_cv_header_stdc=no -+fi -+rm -f core *.core core.conftest.* gmon.out bb.out conftest$ac_exeext \ -+ conftest.$ac_objext conftest.beam conftest.$ac_ext -+fi -+ -+fi -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_header_stdc" >&5 -+$as_echo "$ac_cv_header_stdc" >&6; } -+if test $ac_cv_header_stdc = yes; then -+ -+$as_echo "@%:@define STDC_HEADERS 1" >>confdefs.h -+ -+fi -+ -+# On IRIX 5.3, sys/types and inttypes.h are conflicting. -+for ac_header in sys/types.h sys/stat.h stdlib.h string.h memory.h strings.h \ -+ inttypes.h stdint.h unistd.h -+do : -+ as_ac_Header=`$as_echo "ac_cv_header_$ac_header" | $as_tr_sh` -+ac_fn_c_check_header_compile "$LINENO" "$ac_header" "$as_ac_Header" "$ac_includes_default -+" -+if eval test \"x\$"$as_ac_Header"\" = x"yes"; then : -+ cat >>confdefs.h <<_ACEOF -+@%:@define `$as_echo "HAVE_$ac_header" | $as_tr_cpp` 1 -+_ACEOF -+ -+fi -+ -+done -+ -+ -+ -+ -+# check size of pointers to int - needed to decide the size of integer -+# arrays in fortran holding C pointers for FFTW -+ -+# The cast to long int works around a bug in the HP C Compiler -+# version HP92453-01 B.11.11.23709.GP, which incorrectly rejects -+# declarations like `int a3[[(sizeof (unsigned char)) >= 0]];'. -+# This bug is HP SR number 8606223364. -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking size of int *" >&5 -+$as_echo_n "checking size of int *... " >&6; } -+if ${ac_cv_sizeof_int_p+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if ac_fn_c_compute_int "$LINENO" "(long int) (sizeof (int *))" "ac_cv_sizeof_int_p" "$ac_includes_default"; then : -+ -+else -+ if test "$ac_cv_type_int_p" = yes; then -+ { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+as_fn_error 77 "cannot compute sizeof (int *) -+See \`config.log' for more details" "$LINENO" 5; } -+ else -+ ac_cv_sizeof_int_p=0 -+ fi -+fi -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_sizeof_int_p" >&5 -+$as_echo "$ac_cv_sizeof_int_p" >&6; } -+ -+ -+ -+cat >>confdefs.h <<_ACEOF -+@%:@define SIZEOF_INT_P $ac_cv_sizeof_int_p -+_ACEOF -+ -+ -+SIZEOF_INT_P=$ac_cv_sizeof_int_p -+ -+ -+# check if the structure mallinfo is present in malloc.h -+ac_fn_c_check_header_mongrel "$LINENO" "malloc.h" "ac_cv_header_malloc_h" "$ac_includes_default" -+if test "x$ac_cv_header_malloc_h" = xyes; then : -+ have_malloc_h=1 -+else -+ have_malloc_h=0 -+fi -+ -+ -+if test "$have_malloc_h" -ne 0 -+then -+ac_fn_c_check_member "$LINENO" "struct mallinfo" "arena" "ac_cv_member_struct_mallinfo_arena" "#include -+" -+if test "x$ac_cv_member_struct_mallinfo_arena" = xyes; then : -+ $as_echo "@%:@define HAVE_MALLINFO 1" >>confdefs.h -+ -+fi -+ -+ -+fi -+ -+ -+ -+# Checking F77... -+ -+ -+# candidate f77 compilers good for all cases -+try_f77="$f90" -+ -+case "$arch:$f90_version" in -+*:pgf90 ) -+ try_f77="pgf77 $f90" -+ ;; -+aix:*xlf*_r ) -+ try_f77="xlf_r $f90" -+ ;; -+aix:*xlf* ) -+ try_f77="xlf $f90" -+ ;; -+sparc:* | solaris:sunf95 ) -+ try_f77="f77 $f90" -+ ;; -+ppc64-bg*:*xlf90_r ) -+ try_f77="bgxlf_r" -+ ;; -+ppc64-bg*:*xlf90 ) -+ try_f77="bgxlf" -+ ;; -+ppc64:*xlf* | ppc64-mn:*xlf* ) -+ try_f77="xlf_r $f90" -+ ;; -+esac -+ -+# check serial Fortran 77 compiler (use F77 if it was set) -+if test "$f77" = "" ; then f77="$try_f77" ; fi -+ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+if test -n "$ac_tool_prefix"; then -+ for ac_prog in $f77 -+ do -+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. -+set dummy $ac_tool_prefix$ac_prog; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if ${ac_cv_prog_F77+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$F77"; then -+ ac_cv_prog_F77="$F77" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then -+ ac_cv_prog_F77="$ac_tool_prefix$ac_prog" -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+ done -+IFS=$as_save_IFS -+ -+fi -+fi -+F77=$ac_cv_prog_F77 -+if test -n "$F77"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $F77" >&5 -+$as_echo "$F77" >&6; } -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$F77" && break -+ done -+fi -+if test -z "$F77"; then -+ ac_ct_F77=$F77 -+ for ac_prog in $f77 -+do -+ # Extract the first word of "$ac_prog", so it can be a program name with args. -+set dummy $ac_prog; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if ${ac_cv_prog_ac_ct_F77+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$ac_ct_F77"; then -+ ac_cv_prog_ac_ct_F77="$ac_ct_F77" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then -+ ac_cv_prog_ac_ct_F77="$ac_prog" -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+ done -+IFS=$as_save_IFS -+ -+fi -+fi -+ac_ct_F77=$ac_cv_prog_ac_ct_F77 -+if test -n "$ac_ct_F77"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_F77" >&5 -+$as_echo "$ac_ct_F77" >&6; } -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$ac_ct_F77" && break -+done -+ -+ if test "x$ac_ct_F77" = x; then -+ F77="" -+ else -+ case $cross_compiling:$ac_tool_warned in -+yes:) -+{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 -+$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} -+ac_tool_warned=yes ;; -+esac -+ F77=$ac_ct_F77 -+ fi -+fi -+ -+ -+# Provide some information about the compiler. -+$as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran 77 compiler version" >&5 -+set X $ac_compile -+ac_compiler=$2 -+for ac_option in --version -v -V -qversion; do -+ { { ac_try="$ac_compiler $ac_option >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_compiler $ac_option >&5") 2>conftest.err -+ ac_status=$? -+ if test -s conftest.err; then -+ sed '10a\ -+... rest of stderr output deleted ... -+ 10q' conftest.err >conftest.er1 -+ cat conftest.er1 >&5 -+ fi -+ rm -f conftest.er1 conftest.err -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; } -+done -+rm -f a.out -+ -+# If we don't use `.F' as extension, the preprocessor is not run on the -+# input file. (Note that this only needs to work for GNU compilers.) -+ac_save_ext=$ac_ext -+ac_ext=F -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU Fortran 77 compiler" >&5 -+$as_echo_n "checking whether we are using the GNU Fortran 77 compiler... " >&6; } -+if ${ac_cv_f77_compiler_gnu+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ cat > conftest.$ac_ext <<_ACEOF -+ program main -+#ifndef __GNUC__ -+ choke me -+#endif -+ -+ end -+_ACEOF -+if ac_fn_f77_try_compile "$LINENO"; then : -+ ac_compiler_gnu=yes -+else -+ ac_compiler_gnu=no -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ac_cv_f77_compiler_gnu=$ac_compiler_gnu -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_f77_compiler_gnu" >&5 -+$as_echo "$ac_cv_f77_compiler_gnu" >&6; } -+ac_ext=$ac_save_ext -+ac_test_FFLAGS=${FFLAGS+set} -+ac_save_FFLAGS=$FFLAGS -+FFLAGS= -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $F77 accepts -g" >&5 -+$as_echo_n "checking whether $F77 accepts -g... " >&6; } -+if ${ac_cv_prog_f77_g+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ FFLAGS=-g -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+if ac_fn_f77_try_compile "$LINENO"; then : -+ ac_cv_prog_f77_g=yes -+else -+ ac_cv_prog_f77_g=no -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_f77_g" >&5 -+$as_echo "$ac_cv_prog_f77_g" >&6; } -+if test "$ac_test_FFLAGS" = set; then -+ FFLAGS=$ac_save_FFLAGS -+elif test $ac_cv_prog_f77_g = yes; then -+ if test "x$ac_cv_f77_compiler_gnu" = xyes; then -+ FFLAGS="-g -O2" -+ else -+ FFLAGS="-g" -+ fi -+else -+ if test "x$ac_cv_f77_compiler_gnu" = xyes; then -+ FFLAGS="-O2" -+ else -+ FFLAGS= -+ fi -+fi -+ -+if test $ac_compiler_gnu = yes; then -+ G77=yes -+else -+ G77= -+fi -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+f77=$F77 -+ -+echo setting F77... $f77 -+ -+ -+ -+ -+ -+# Checking F90... -+ -+ -+# debug flags are implemented only for a few cases -+@%:@ Check whether --enable-debug was given. -+if test "${enable_debug+set}" = set; then : -+ enableval=$enable_debug; if test "$enableval" = "yes" ; then -+ use_debug=1 -+ else -+ use_debug=0 -+ fi -+else -+ use_debug=0 -+fi -+ -+ -+# shared library flags are implemented only for a few (untested) cases -+@%:@ Check whether --enable-shared was given. -+if test "${enable_shared+set}" = set; then : -+ enableval=$enable_shared; if test "$enableval" = "yes" ; then -+ use_shared=1 -+ else -+ use_shared=0 -+ fi -+else -+ use_shared=1 -+fi -+ -+ -+# check Fortran compiler flags -+# have_cpp=0: use external C preprocessing for fortran code -+# have_cpp=1: use C-like preprocessing in fortran compiler -+have_cpp=1 -+xlf_flags=0 -+ -+echo using F90... $f90 -+ -+case "$arch:$f90_version" in -+ia32:ifort* | ia64:ifort* | x86_64:ifort* | mac686:ifort* | crayxt*:ifort* ) -+ try_fflags="-O2 -assume byterecl -g -traceback -par-report0 -vec-report0" -+ if test "$use_debug" -eq 1; then -+ try_fflags="$try_fflags -fpe0 -CB" -+ fi -+ try_fflags_nomain="-nofor_main" -+ try_fflags_openmp="-openmp" -+ try_f90flags="\$(FFLAGS) -nomodule" -+ try_fflags_noopt="-O0 -assume byterecl -g -traceback" -+ try_ldflags="" -+ try_ldflags_static="-static" -+ try_ldflags_openmp="-openmp" -+ try_dflags="$try_dflags -D__INTEL" -+ pre_fdflags="-fpp " -+ ;; -+x86_64:nagfor* ) -+ try_fflags="-O3 -kind=byte -dcfuns -mismatch" -+ if test "$use_debug" -eq 1; then -+ try_fflags="$try_fflags -g" -+ fi -+ try_fflags_nomain="" -+ try_fflags_openmp="-openmp" -+ try_f90flags="-O3 -kind=byte -dcfuns -mismatch" -+ try_fflags_noopt="-O0 -kind=byte -dcfuns -mismatch" -+ try_ldflags="" -+ try_ldflags_static="-unsharedrts" -+ try_ldflags_openmp="-openmp" -+ # -D__GFORTRAN needed -+ try_dflags="$try_dflags -D__NAG -D__GFORTRAN" -+ have_cpp=0 -+ ;; -+ia32:pgf* | ia64:pgf* | x86_64:pgf* ) -+ try_fflags_nomain="-Mnomain" -+ try_fflags="-fast -r8" -+ try_fflags_openmp="-mp" -+ try_f90flags="-fast -r8 -Mcache_align" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ try_ldflags_openmp="-mp" -+ try_ldflags_static="-Bstatic" -+ try_dflags="$try_dflags -D__PGI" -+ have_cpp=0 -+ ;; -+ia32:path* | ia64:path* | x86_64:path* ) -+ try_fflags="-march=auto -O2" -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ try_ldflags_static="-static" -+ have_cpp=0 -+ ;; -+*:g95 ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-O3 -g -freal=nan -finteger=12345678 -flogical=none -cpp" -+ else -+ try_fflags="-O3 -cpp" -+ fi -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0 -cpp" -+ try_ldflags="" -+ try_ldflags_static="-static" -+ ;; -+*:*gfortran ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-O3 -g -Wall -fbounds-check -frange-check" -+ else -+ try_fflags="-O3 -g" -+ fi -+ try_fflags_openmp="-fopenmp" -+ try_f90flags="\$(FFLAGS) -x f95-cpp-input" -+ try_fflags_noopt="-O0 -g" -+ try_ldflags="-g -pthread" -+ try_ldflags_openmp="-fopenmp" -+ try_dflags="$try_dflags -D__GFORTRAN -D__STD_F95" -+ try_ldflags_static="-static" -+ ;; -+*:sunf95 ) -+ try_fflags="-O4" -+ try_fflags_openmp="-openmp" -+ try_f90flags="\$(FFLAGS) -fpp" -+ try_fflags_noopt="-O0" -+ try_ldflags="-fast" -+ try_ldflags_static="-Bstatic" -+ imod="-M" -+ ;; -+*:openf95 ) -+ try_fflags="-O3" -+ try_f90flags="\$(FFLAGS) -ftpp" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ imod="-I" -+ ;; -+aix:*xlf* ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-q64 -qalias=noaryovrlp -g -C \ -+-qarch=auto -qtune=auto -qdpc -Q -qalias=nointptr" -+ else -+ try_fflags="-q64 -qalias=noaryovrlp -O3 -qstrict \ -+-qarch=auto -qtune=auto -qdpc -Q -qalias=nointptr" -+ fi -+ try_fflags_openmp="-qsmp=omp" -+ try_f90flags="\$(FFLAGS) -qsuffix=cpp=f90 -qfree=f90" -+ try_fflags_noopt="-q64 -O0" -+ try_ldflags="-q64" -+ try_ldflags_openmp="-qsmp=omp" -+ # try_ldflags_static="-bstatic" -+ pre_fdflags="-WF," -+ xlf_flags=1 -+ ;; -+solaris:sunf95 ) -+ try_fflags="-fast -O2 -fpp" -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0 " -+ try_ldflags="" -+ imod="-M" -+ ;; -+sparc:f90 ) -+ try_fflags="-fast -O1 -nodepend -xvector=no -xchip=ultra3 \ -+-xarch=v8plusb -xlic_lib=sunperf" -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0 -xlic_lib=sunperf" -+ try_ldflags="" -+ imod="-M" -+ have_cpp=0 -+ ;; -+crayxt*:cray* ) -+ try_fflags_nomain="" -+ #NOTE: by default OpenMP is always ON (see crayftn man page) -+ try_fflags_openmp="-homp" -+ try_fflags="-O2" -+ #NOTE: add '-rm' to get messages from crayftn about why -+ # optimizations have not been applied -+ try_f90flags="-O3,fp3 -f free" -+ try_fflags_noopt="-O0" -+ try_ldflags_openmp="-homp" -+ try_ldflags="-v" -+ try_ldflags_static="-static" -+ try_dflags="$try_dflags -D__CRAY" -+ have_cpp=0 -+ ;; -+crayxt*:pgf* ) -+# see comment above for pgf* -+ try_fflags_nomain="-Mnomain" -+ try_fflags_openmp="-mp" -+ try_fflags="-O3 -r8" -+ try_f90flags="-fast -Mcache_align -r8 -Mpreprocess" -+ try_fflags_noopt="-O0" -+ try_ldflags_openmp="-mp" -+ try_ldflags="-v" -+ try_dflags="$try_dflags -D__PGI -D__IOTK_WORKAROUND1" -+ have_cpp=1 -+ ;; -+crayxt*:pathf* ) -+ try_fflags="-march=auto -O2 -cpp" -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ try_ldflags_static="-static" -+ have_cpp=1 -+ ;; -+necsx:* ) -+ try_fflags=' -float0 -Cvopt -eab -R5 -Wf,-Ncont,-A dbl4,-P nh,-ptr byte,-pvctl noifopt loopcnt=9999999 expand=12 fullmsg vwork=stack,-fusion,-O noif,-init stack=nan heap=nan' -+ try_f90flags=' -f2003 -float0 -Cvopt -eab -R5 -Wf,-Ncont,-A dbl4,-P nh,-ptr byte,-pvctl noifopt loopcnt=9999999 expand=12 fullmsg vwork=stack,-fusion,-O noif,-init stack=nan heap=nan' -+ try_f90flags="-$sxopt $try_f90flags" -+ try_fflags_noopt='-float0 ' -+ try_f90flags_noopt='-f2003 -float0 -eab -R5 -C debug -Wf,-Ncont,-A dbl4,-P nh ,ptr byte,-init stack=nan heap=nan' -+ try_f90flags_noopt="$try_f90flags_noopt" -+ try_f90flags_inline='-f2003 -float0 -Cvopt -eab -R5 -pi noauto incdir exp=w0gauss -Wf,-Ncont,-A dbl4,-P nh,-ptr byte,-pvctl noifopt loopcnt=9999999 expand=12 fullmsg vwork=stack,-fusion,-O noif,-init stack=nan heap=nan' -+ try_f90flags_inline="$try_f90flags_inline" -+ try_ldflags_static='-P static' -+ try_ldflags='-Wl,-f zero' -+ try_ldflags="-p $try_ldflags" -+ pre_fdflags="" -+ ;; -+ -+ppc64:*xlf* ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-g -C -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q" -+ else -+ try_fflags="-q64 -qthreaded -O4 -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q" -+ fi -+ try_f90flags="\$(FFLAGS) -qfree=f90" -+ try_fflags_noopt="-q64 -qthreaded -O0" -+ try_ldflags="-q64 -qthreaded" -+ pre_fdflags="-WF," -+ xlf_flags=1 -+ ;; -+ppc64-mn:*xlf* ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-g -C -q64 -qstrict -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q -qtune=ppc970 -qarch=ppc970 -qcache=auto -qhot=vector,simd -qenablevmx" -+ else -+ try_fflags="-O3 -q64 -qstrict -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q -qtune=ppc970 -qarch=ppc970 -qcache=auto -qhot=vector,simd -qenablevmx" -+ fi -+ try_f90flags="\$(FFLAGS) -qfree=f90" -+ try_fflags_noopt="-O0 -q64" -+ try_ldflags="" -+ pre_fdflags="-WF," -+ xlf_flags=1 -+ ;; -+ppc64-bg:*xlf* ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-q32 -qalias=noaryovrlp:nointptr -g -C -qdpc=e" -+ else -+ try_fflags="-q32 -qalias=noaryovrlp:nointptr -O3 -qstrict -qdpc=e" -+ fi -+ try_fflags_openmp="-qsmp=omp -qthreaded" -+ try_f90flags="\$(FFLAGS) -qsuffix=cpp=f90" -+ try_fflags_noopt="-q32 -O0" -+ try_ldflags="-q32" -+ try_ldflags_openmp="-qsmp=omp -qthreaded" -+ pre_fdflags="-WF," -+ xlf_flags=1 -+ ;; -+ppc64-bgq:*xlf* ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-qalias=noaryovrlp:nointptr -g -C -qdpc=e" -+ else -+ try_fflags="-qalias=noaryovrlp:nointptr -O3 -qstrict -qdpc=e -qarch=qp -qtune=qp" -+ fi -+ try_fflags_openmp="-qsmp=noauto:omp -qtm -qthreaded" -+ try_f90flags="\$(FFLAGS) -qsuffix=cpp=f90" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ try_ldflags_openmp="-qstatic -qsmp=noauto:omp -qtm -qthreaded" -+ pre_fdflags="-WF," -+ xlf_flags=1 -+ ;; -+ -+* ) -+ # unknown, try these -+ try_fflags="-O1" -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ have_cpp=0 -+ ;; -+ -+esac -+ -+if test "$use_shared" -eq 0 ; then -+ try_ldflags="$try_ldflags $try_ldflags_static" ; fi -+ -+# Checking OpenMP... -+ -+ -+@%:@ Check whether --enable-openmp was given. -+if test "${enable_openmp+set}" = set; then : -+ enableval=$enable_openmp; if test "$enableval" = "yes" ; then -+ use_openmp=1 -+ else -+ use_openmp=0 -+ fi -+else -+ use_openmp=0 -+fi -+ -+ -+# preprocessing flag for OpenMP -+if test "$use_openmp" -eq 1 ; then try_dflags="$try_dflags -D__OPENMP" ; fi -+ -+ -+ -+if test "$use_openmp" -eq 1 ; then -+ try_f90flags="$try_f90flags $try_fflags_openmp" -+ try_fflags="$try_fflags $try_fflags_openmp" -+ try_ldflags="$try_ldflags $try_ldflags_openmp" -+fi -+ -+if test "$fflags" = "" ; then fflags=$try_fflags ; fi -+if test "$f90flags" = "" ; then f90flags=$try_f90flags ; fi -+if test "$fflags_noopt" = "" ; then fflags_noopt=$try_fflags_noopt ; fi -+if test "$fflags_nomain" = "" ; then fflags_nomain=$try_fflags_nomain ; fi -+ -+echo setting FFLAGS... $fflags -+echo setting F90FLAGS... $f90flags -+echo setting FFLAGS_NOOPT... $fflags_noopt -+if test "$fflags_nomain" != "" ; then echo setting FFLAGS_NOMAIN... $fflags_nomain ; fi -+ -+if test "$imod" = "" ; then imod="-I" ; fi -+ -+# compilation flags for all subsequent tests -+# remove all $(...) because at least one compiler doesn't like them -+# but if f90flags contains $(FFLAGS), substitute it -+if test "`echo $f90flags | grep '$(FFLAGS)'`" != "" -+then -+ test_fflags="`echo $fflags $f90flags | sed 's/\$([^)]*)//g'`" -+else -+ test_fflags="`echo $f90flags | sed 's/\$([^)]*)//g'`" -+fi -+ -+ -+ -+ -+ -+ -+ -+ -+ -+ -+# Checking preprocessor... -+ -+ -+# preprocessor - try cpp in all cases; the preprocessor returned by -+# AC_PROG_CPP -+# may sometimes refuse to preprocess fortran files -+if test "$cpp" = "" ; then cpp=$try_cpp; fi -+# if test "$cpp" = "" ; then cpp=$CPP; fi -+echo setting CPP... $cpp -+ -+echo $ECHO_N "setting CPPFLAGS... $ECHO_C" -+case $cpp in -+ cpp) try_cppflags="-P -C -traditional" ;; -+ fpp) try_cppflags="-P -C " ;; -+ *) try_cppflags="" ;; -+esac -+if test "$cppflags" = "" ; then cppflags=$try_cppflags ; fi -+echo "${ECHO_T}$cppflags" -+ -+# compilation flags for all subsequent tests -+test_cppflags="$test_cflags" -+ -+ -+ -+ -+ -+ -+ -+# Checking linker... -+ -+ -+# linker and archiver -+# note that from this point on, further additions to -+# linker flags should be added to ldflags rather than try_ldflags -+if test "$ld" = "" ; then ld="$mpif90" ; fi -+if test "$ldflags" = "" ; then ldflags="$try_ldflags" ; fi -+echo setting LD... $ld -+echo setting LDFLAGS... $ldflags -+ -+# compilation flags for all subsequent tests -+test_ldflags="`echo $ldflags | sed 's/\$([^)]*)//g'`" -+ -+ -+ -+ -+ -+ -+ -+# Checking F90 rule... -+ -+ -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether ${MAKE-make} sets \$(MAKE)" >&5 -+$as_echo_n "checking whether ${MAKE-make} sets \$(MAKE)... " >&6; } -+set x ${MAKE-make} -+ac_make=`$as_echo "$2" | sed 's/+/p/g; s/[^a-zA-Z0-9_]/_/g'` -+if eval \${ac_cv_prog_make_${ac_make}_set+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.make <<\_ACEOF -+SHELL = /bin/sh -+all: -+ @echo '@@@%%%=$(MAKE)=@@@%%%' -+_ACEOF -+# GNU make sometimes prints "make[1]: Entering ...", which would confuse us. -+case `${MAKE-make} -f conftest.make 2>/dev/null` in -+ *@@@%%%=?*=@@@%%%*) -+ eval ac_cv_prog_make_${ac_make}_set=yes;; -+ *) -+ eval ac_cv_prog_make_${ac_make}_set=no;; -+esac -+rm -f conftest.make -+fi -+if eval test \$ac_cv_prog_make_${ac_make}_set = yes; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: yes" >&5 -+$as_echo "yes" >&6; } -+ SET_MAKE= -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+ SET_MAKE="MAKE=${MAKE-make}" -+fi -+ -+echo $ECHO_N "checking whether Fortran files must be preprocessed... $ECHO_C" -+if test "$have_cpp" -ne 0 -+then -+ f90rule="\$(MPIF90) \$(F90FLAGS) -c \$<" -+ echo "${ECHO_T}no" -+else -+ f90rule="\$(CPP) \$(CPPFLAGS) \$< -o \$(*).F90 ; \\ -+ \$(MPIF90) \$(F90FLAGS) -c \$(*).F90 -o \$(*).o" -+ echo "${ECHO_T}yes" -+fi -+ -+ -+ -+ -+ -+# find Fortran to C wrappers -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking host system type" >&5 -+$as_echo_n "checking host system type... " >&6; } -+if ${ac_cv_host+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test "x$host_alias" = x; then -+ ac_cv_host=$ac_cv_build -+else -+ ac_cv_host=`$SHELL "$ac_aux_dir/config.sub" $host_alias` || -+ as_fn_error $? "$SHELL $ac_aux_dir/config.sub $host_alias failed" "$LINENO" 5 -+fi -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_host" >&5 -+$as_echo "$ac_cv_host" >&6; } -+case $ac_cv_host in -+*-*-*) ;; -+*) as_fn_error $? "invalid value of canonical host" "$LINENO" 5;; -+esac -+host=$ac_cv_host -+ac_save_IFS=$IFS; IFS='-' -+set x $ac_cv_host -+shift -+host_cpu=$1 -+host_vendor=$2 -+shift; shift -+# Remember, the first character of IFS is used to create $*, -+# except with old shells: -+host_os=$* -+IFS=$ac_save_IFS -+case $host_os in *\ *) host_os=`echo "$host_os" | sed 's/ /-/g'`;; esac -+ -+ -+ -+ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking how to get verbose linking output from $F77" >&5 -+$as_echo_n "checking how to get verbose linking output from $F77... " >&6; } -+if ${ac_cv_prog_f77_v+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ cat > conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+if ac_fn_f77_try_compile "$LINENO"; then : -+ ac_cv_prog_f77_v= -+# Try some options frequently used verbose output -+for ac_verb in -v -verbose --verbose -V -\#\#\#; do -+ cat > conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+ -+# Compile and link our simple test program by passing a flag (argument -+# 1 to this macro) to the Fortran compiler in order to get -+# "verbose" output that we can then parse for the Fortran linker -+# flags. -+ac_save_FFLAGS=$FFLAGS -+FFLAGS="$FFLAGS $ac_verb" -+eval "set x $ac_link" -+shift -+$as_echo "$as_me:${as_lineno-$LINENO}: $*" >&5 -+# gfortran 4.3 outputs lines setting COLLECT_GCC_OPTIONS, COMPILER_PATH, -+# LIBRARY_PATH; skip all such settings. -+ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | -+ sed '/^Driving:/d; /^Configured with:/d; -+ '"/^[_$as_cr_Letters][_$as_cr_alnum]*=/d"` -+$as_echo "$ac_f77_v_output" >&5 -+FFLAGS=$ac_save_FFLAGS -+ -+rm -rf conftest* -+ -+# On HP/UX there is a line like: "LPATH is: /foo:/bar:/baz" where -+# /foo, /bar, and /baz are search directories for the Fortran linker. -+# Here, we change these into -L/foo -L/bar -L/baz (and put it first): -+ac_f77_v_output="`echo $ac_f77_v_output | -+ grep 'LPATH is:' | -+ sed 's|.*LPATH is\(: *[^ ]*\).*|\1|;s|: */| -L/|g'` $ac_f77_v_output" -+ -+# FIXME: we keep getting bitten by quoted arguments; a more general fix -+# that detects unbalanced quotes in FLIBS should be implemented -+# and (ugh) tested at some point. -+case $ac_f77_v_output in -+ # With xlf replace commas with spaces, -+ # and remove "-link" and closing parenthesis. -+ *xlfentry*) -+ ac_f77_v_output=`echo $ac_f77_v_output | -+ sed ' -+ s/,/ /g -+ s/ -link / /g -+ s/) *$// -+ ' -+ ` ;; -+ -+ # With Intel ifc, ignore the quoted -mGLOB_options_string stuff (quoted -+ # $LIBS confuse us, and the libraries appear later in the output anyway). -+ *mGLOB_options_string*) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed 's/"-mGLOB[^"]*"/ /g'` ;; -+ -+ # Portland Group compiler has singly- or doubly-quoted -cmdline argument -+ # Singly-quoted arguments were reported for versions 5.2-4 and 6.0-4. -+ # Doubly-quoted arguments were reported for "PGF90/x86 Linux/x86 5.0-2". -+ *-cmdline\ * | *-ignore\ * | *-def\ *) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed "\ -+ s/-cmdline *'[^']*'/ /g; s/-cmdline *\"[^\"]*\"/ /g -+ s/-ignore *'[^']*'/ /g; s/-ignore *\"[^\"]*\"/ /g -+ s/-def *'[^']*'/ /g; s/-def *\"[^\"]*\"/ /g"` ;; -+ -+ # If we are using fort77 (the f2c wrapper) then filter output and delete quotes. -+ *fort77*f2c*gcc*) -+ ac_f77_v_output=`echo "$ac_f77_v_output" | sed -n ' -+ /:[ ]\+Running[ ]\{1,\}"gcc"/{ -+ /"-c"/d -+ /[.]c"*/d -+ s/^.*"gcc"/"gcc"/ -+ s/"//gp -+ }'` ;; -+ -+ # If we are using Cray Fortran then delete quotes. -+ *cft90*) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed 's/"//g'` ;; -+esac -+ -+ -+ # look for -l* and *.a constructs in the output -+ for ac_arg in $ac_f77_v_output; do -+ case $ac_arg in -+ [\\/]*.a | ?:[\\/]*.a | -[lLRu]*) -+ ac_cv_prog_f77_v=$ac_verb -+ break 2 ;; -+ esac -+ done -+done -+if test -z "$ac_cv_prog_f77_v"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: cannot determine how to obtain linking information from $F77" >&5 -+$as_echo "$as_me: WARNING: cannot determine how to obtain linking information from $F77" >&2;} -+fi -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: compilation failed" >&5 -+$as_echo "$as_me: WARNING: compilation failed" >&2;} -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_f77_v" >&5 -+$as_echo "$ac_cv_prog_f77_v" >&6; } -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran 77 libraries of $F77" >&5 -+$as_echo_n "checking for Fortran 77 libraries of $F77... " >&6; } -+if ${ac_cv_f77_libs+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test "x$FLIBS" != "x"; then -+ ac_cv_f77_libs="$FLIBS" # Let the user override the test. -+else -+ -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+ -+# Compile and link our simple test program by passing a flag (argument -+# 1 to this macro) to the Fortran compiler in order to get -+# "verbose" output that we can then parse for the Fortran linker -+# flags. -+ac_save_FFLAGS=$FFLAGS -+FFLAGS="$FFLAGS $ac_cv_prog_f77_v" -+eval "set x $ac_link" -+shift -+$as_echo "$as_me:${as_lineno-$LINENO}: $*" >&5 -+# gfortran 4.3 outputs lines setting COLLECT_GCC_OPTIONS, COMPILER_PATH, -+# LIBRARY_PATH; skip all such settings. -+ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | -+ sed '/^Driving:/d; /^Configured with:/d; -+ '"/^[_$as_cr_Letters][_$as_cr_alnum]*=/d"` -+$as_echo "$ac_f77_v_output" >&5 -+FFLAGS=$ac_save_FFLAGS -+ -+rm -rf conftest* -+ -+# On HP/UX there is a line like: "LPATH is: /foo:/bar:/baz" where -+# /foo, /bar, and /baz are search directories for the Fortran linker. -+# Here, we change these into -L/foo -L/bar -L/baz (and put it first): -+ac_f77_v_output="`echo $ac_f77_v_output | -+ grep 'LPATH is:' | -+ sed 's|.*LPATH is\(: *[^ ]*\).*|\1|;s|: */| -L/|g'` $ac_f77_v_output" -+ -+# FIXME: we keep getting bitten by quoted arguments; a more general fix -+# that detects unbalanced quotes in FLIBS should be implemented -+# and (ugh) tested at some point. -+case $ac_f77_v_output in -+ # With xlf replace commas with spaces, -+ # and remove "-link" and closing parenthesis. -+ *xlfentry*) -+ ac_f77_v_output=`echo $ac_f77_v_output | -+ sed ' -+ s/,/ /g -+ s/ -link / /g -+ s/) *$// -+ ' -+ ` ;; -+ -+ # With Intel ifc, ignore the quoted -mGLOB_options_string stuff (quoted -+ # $LIBS confuse us, and the libraries appear later in the output anyway). -+ *mGLOB_options_string*) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed 's/"-mGLOB[^"]*"/ /g'` ;; -+ -+ # Portland Group compiler has singly- or doubly-quoted -cmdline argument -+ # Singly-quoted arguments were reported for versions 5.2-4 and 6.0-4. -+ # Doubly-quoted arguments were reported for "PGF90/x86 Linux/x86 5.0-2". -+ *-cmdline\ * | *-ignore\ * | *-def\ *) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed "\ -+ s/-cmdline *'[^']*'/ /g; s/-cmdline *\"[^\"]*\"/ /g -+ s/-ignore *'[^']*'/ /g; s/-ignore *\"[^\"]*\"/ /g -+ s/-def *'[^']*'/ /g; s/-def *\"[^\"]*\"/ /g"` ;; -+ -+ # If we are using fort77 (the f2c wrapper) then filter output and delete quotes. -+ *fort77*f2c*gcc*) -+ ac_f77_v_output=`echo "$ac_f77_v_output" | sed -n ' -+ /:[ ]\+Running[ ]\{1,\}"gcc"/{ -+ /"-c"/d -+ /[.]c"*/d -+ s/^.*"gcc"/"gcc"/ -+ s/"//gp -+ }'` ;; -+ -+ # If we are using Cray Fortran then delete quotes. -+ *cft90*) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed 's/"//g'` ;; -+esac -+ -+ -+ -+ac_cv_f77_libs= -+ -+# Save positional arguments (if any) -+ac_save_positional="$@" -+ -+set X $ac_f77_v_output -+while test $@%:@ != 1; do -+ shift -+ ac_arg=$1 -+ case $ac_arg in -+ [\\/]*.a | ?:[\\/]*.a) -+ ac_exists=false -+ for ac_i in $ac_cv_f77_libs; do -+ if test x"$ac_arg" = x"$ac_i"; then -+ ac_exists=true -+ break -+ fi -+ done -+ -+ if test x"$ac_exists" = xtrue; then : -+ -+else -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -+fi -+ ;; -+ -bI:*) -+ ac_exists=false -+ for ac_i in $ac_cv_f77_libs; do -+ if test x"$ac_arg" = x"$ac_i"; then -+ ac_exists=true -+ break -+ fi -+ done -+ -+ if test x"$ac_exists" = xtrue; then : -+ -+else -+ if test "$ac_compiler_gnu" = yes; then -+ for ac_link_opt in $ac_arg; do -+ ac_cv_f77_libs="$ac_cv_f77_libs -Xlinker $ac_link_opt" -+ done -+else -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -+fi -+fi -+ ;; -+ # Ignore these flags. -+ -lang* | -lcrt*.o | -lc | -lgcc* | -lSystem | -libmil | -little \ -+ |-LANG:=* | -LIST:* | -LNO:* | -link) -+ ;; -+ -lkernel32) -+ case $host_os in -+ *cygwin*) ;; -+ *) ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -+ ;; -+ esac -+ ;; -+ -[LRuYz]) -+ # These flags, when seen by themselves, take an argument. -+ # We remove the space between option and argument and re-iterate -+ # unless we find an empty arg or a new option (starting with -) -+ case $2 in -+ "" | -*);; -+ *) -+ ac_arg="$ac_arg$2" -+ shift; shift -+ set X $ac_arg "$@" -+ ;; -+ esac -+ ;; -+ -YP,*) -+ for ac_j in `$as_echo "$ac_arg" | sed -e 's/-YP,/-L/;s/:/ -L/g'`; do -+ ac_exists=false -+ for ac_i in $ac_cv_f77_libs; do -+ if test x"$ac_j" = x"$ac_i"; then -+ ac_exists=true -+ break -+ fi -+ done -+ -+ if test x"$ac_exists" = xtrue; then : -+ -+else -+ ac_arg="$ac_arg $ac_j" -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_j" -+fi -+ done -+ ;; -+ -[lLR]*) -+ ac_exists=false -+ for ac_i in $ac_cv_f77_libs; do -+ if test x"$ac_arg" = x"$ac_i"; then -+ ac_exists=true -+ break -+ fi -+ done -+ -+ if test x"$ac_exists" = xtrue; then : -+ -+else -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -+fi -+ ;; -+ -zallextract*| -zdefaultextract) -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -+ ;; -+ # Ignore everything else. -+ esac -+done -+# restore positional arguments -+set X $ac_save_positional; shift -+ -+# We only consider "LD_RUN_PATH" on Solaris systems. If this is seen, -+# then we insist that the "run path" must be an absolute path (i.e. it -+# must begin with a "/"). -+case `(uname -sr) 2>/dev/null` in -+ "SunOS 5"*) -+ ac_ld_run_path=`$as_echo "$ac_f77_v_output" | -+ sed -n 's,^.*LD_RUN_PATH *= *\(/[^ ]*\).*$,-R\1,p'` -+ test "x$ac_ld_run_path" != x && -+ if test "$ac_compiler_gnu" = yes; then -+ for ac_link_opt in $ac_ld_run_path; do -+ ac_cv_f77_libs="$ac_cv_f77_libs -Xlinker $ac_link_opt" -+ done -+else -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_ld_run_path" -+fi -+ ;; -+esac -+fi # test "x$[]_AC_LANG_PREFIX[]LIBS" = "x" -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_f77_libs" >&5 -+$as_echo "$ac_cv_f77_libs" >&6; } -+FLIBS="$ac_cv_f77_libs" -+ -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for dummy main to link with Fortran 77 libraries" >&5 -+$as_echo_n "checking for dummy main to link with Fortran 77 libraries... " >&6; } -+if ${ac_cv_f77_dummy_main+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_f77_dm_save_LIBS=$LIBS -+ LIBS="$LIBS $FLIBS" -+ ac_fortran_dm_var=F77_DUMMY_MAIN -+ ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ # First, try linking without a dummy main: -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext -+/* end confdefs.h. */ -+ -+#ifdef F77_DUMMY_MAIN -+ -+# ifdef __cplusplus -+ extern "C" -+# endif -+ int F77_DUMMY_MAIN() { return 1; } -+ -+#endif -+int -+main () -+{ -+ -+ ; -+ return 0; -+} -+_ACEOF -+if ac_fn_c_try_link "$LINENO"; then : -+ ac_cv_fortran_dummy_main=none -+else -+ ac_cv_fortran_dummy_main=unknown -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext conftest.$ac_ext -+ -+ if test $ac_cv_fortran_dummy_main = unknown; then -+ for ac_func in MAIN__ MAIN_ __main MAIN _MAIN __MAIN main_ main__ _main; do -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext -+/* end confdefs.h. */ -+@%:@define $ac_fortran_dm_var $ac_func -+#ifdef F77_DUMMY_MAIN -+ -+# ifdef __cplusplus -+ extern "C" -+# endif -+ int F77_DUMMY_MAIN() { return 1; } -+ -+#endif -+int -+main () -+{ -+ -+ ; -+ return 0; -+} -+_ACEOF -+if ac_fn_c_try_link "$LINENO"; then : -+ ac_cv_fortran_dummy_main=$ac_func; break -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext conftest.$ac_ext -+ done -+ fi -+ ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ ac_cv_f77_dummy_main=$ac_cv_fortran_dummy_main -+ rm -rf conftest* -+ LIBS=$ac_f77_dm_save_LIBS -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_f77_dummy_main" >&5 -+$as_echo "$ac_cv_f77_dummy_main" >&6; } -+F77_DUMMY_MAIN=$ac_cv_f77_dummy_main -+if test "$F77_DUMMY_MAIN" != unknown; then : -+ if test $F77_DUMMY_MAIN != none; then -+ -+cat >>confdefs.h <<_ACEOF -+@%:@define F77_DUMMY_MAIN $F77_DUMMY_MAIN -+_ACEOF -+ -+ if test "x$ac_cv_fc_dummy_main" = "x$ac_cv_f77_dummy_main"; then -+ -+$as_echo "@%:@define FC_DUMMY_MAIN_EQ_F77 1" >>confdefs.h -+ -+ fi -+fi -+else -+ { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+as_fn_error $? "linking to Fortran libraries from C fails -+See \`config.log' for more details" "$LINENO" 5; } -+fi -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran 77 name-mangling scheme" >&5 -+$as_echo_n "checking for Fortran 77 name-mangling scheme... " >&6; } -+if ${ac_cv_f77_mangling+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ cat > conftest.$ac_ext <<_ACEOF -+ subroutine foobar() -+ return -+ end -+ subroutine foo_bar() -+ return -+ end -+_ACEOF -+if ac_fn_f77_try_compile "$LINENO"; then : -+ mv conftest.$ac_objext cfortran_test.$ac_objext -+ -+ ac_save_LIBS=$LIBS -+ LIBS="cfortran_test.$ac_objext $LIBS $FLIBS" -+ -+ ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ ac_success=no -+ for ac_foobar in foobar FOOBAR; do -+ for ac_underscore in "" "_"; do -+ ac_func="$ac_foobar$ac_underscore" -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext -+/* end confdefs.h. */ -+ -+/* Override any GCC internal prototype to avoid an error. -+ Use char because int might match the return type of a GCC -+ builtin and then its argument prototype would still apply. */ -+#ifdef __cplusplus -+extern "C" -+#endif -+char $ac_func (); -+#ifdef F77_DUMMY_MAIN -+ -+# ifdef __cplusplus -+ extern "C" -+# endif -+ int F77_DUMMY_MAIN() { return 1; } -+ -+#endif -+int -+main () -+{ -+return $ac_func (); -+ ; -+ return 0; -+} -+_ACEOF -+if ac_fn_c_try_link "$LINENO"; then : -+ ac_success=yes; break 2 -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext conftest.$ac_ext -+ done -+ done -+ ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ -+ if test "$ac_success" = "yes"; then -+ case $ac_foobar in -+ foobar) -+ ac_case=lower -+ ac_foo_bar=foo_bar -+ ;; -+ FOOBAR) -+ ac_case=upper -+ ac_foo_bar=FOO_BAR -+ ;; -+ esac -+ -+ ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ ac_success_extra=no -+ for ac_extra in "" "_"; do -+ ac_func="$ac_foo_bar$ac_underscore$ac_extra" -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext -+/* end confdefs.h. */ -+ -+/* Override any GCC internal prototype to avoid an error. -+ Use char because int might match the return type of a GCC -+ builtin and then its argument prototype would still apply. */ -+#ifdef __cplusplus -+extern "C" -+#endif -+char $ac_func (); -+#ifdef F77_DUMMY_MAIN -+ -+# ifdef __cplusplus -+ extern "C" -+# endif -+ int F77_DUMMY_MAIN() { return 1; } -+ -+#endif -+int -+main () -+{ -+return $ac_func (); -+ ; -+ return 0; -+} -+_ACEOF -+if ac_fn_c_try_link "$LINENO"; then : -+ ac_success_extra=yes; break -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext conftest.$ac_ext -+ done -+ ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ -+ if test "$ac_success_extra" = "yes"; then -+ ac_cv_f77_mangling="$ac_case case" -+ if test -z "$ac_underscore"; then -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, no underscore" -+ else -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, underscore" -+ fi -+ if test -z "$ac_extra"; then -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, no extra underscore" -+ else -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, extra underscore" -+ fi -+ else -+ ac_cv_f77_mangling="unknown" -+ fi -+ else -+ ac_cv_f77_mangling="unknown" -+ fi -+ -+ LIBS=$ac_save_LIBS -+ rm -rf conftest* -+ rm -f cfortran_test* -+else -+ { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+as_fn_error $? "cannot compile a simple Fortran program -+See \`config.log' for more details" "$LINENO" 5; } -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_f77_mangling" >&5 -+$as_echo "$ac_cv_f77_mangling" >&6; } -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ -+ -+ @%:@ Check whether --enable-wrappers was given. -+if test "${enable_wrappers+set}" = set; then : -+ enableval=$enable_wrappers; if test "$enableval" = "yes" ; then -+ check_wrappers=1 -+ else -+ check_wrappers=0 -+ fi -+else -+ check_wrappers=1 -+fi -+ -+ -+ # Find Fortran to C wrappers -+ if test "$check_wrappers" -ne 0; then -+ ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+case $ac_cv_f77_mangling in -+ "lower case, no underscore, no extra underscore") -+ $as_echo "@%:@define F77_FUNC(name,NAME) name" >>confdefs.h -+ -+ $as_echo "@%:@define F77_FUNC_(name,NAME) name" >>confdefs.h -+ ;; -+ "lower case, no underscore, extra underscore") -+ $as_echo "@%:@define F77_FUNC(name,NAME) name" >>confdefs.h -+ -+ $as_echo "@%:@define F77_FUNC_(name,NAME) name ## _" >>confdefs.h -+ ;; -+ "lower case, underscore, no extra underscore") -+ $as_echo "@%:@define F77_FUNC(name,NAME) name ## _" >>confdefs.h -+ -+ $as_echo "@%:@define F77_FUNC_(name,NAME) name ## _" >>confdefs.h -+ ;; -+ "lower case, underscore, extra underscore") -+ $as_echo "@%:@define F77_FUNC(name,NAME) name ## _" >>confdefs.h -+ -+ $as_echo "@%:@define F77_FUNC_(name,NAME) name ## __" >>confdefs.h -+ ;; -+ "upper case, no underscore, no extra underscore") -+ $as_echo "@%:@define F77_FUNC(name,NAME) NAME" >>confdefs.h -+ -+ $as_echo "@%:@define F77_FUNC_(name,NAME) NAME" >>confdefs.h -+ ;; -+ "upper case, no underscore, extra underscore") -+ $as_echo "@%:@define F77_FUNC(name,NAME) NAME" >>confdefs.h -+ -+ $as_echo "@%:@define F77_FUNC_(name,NAME) NAME ## _" >>confdefs.h -+ ;; -+ "upper case, underscore, no extra underscore") -+ $as_echo "@%:@define F77_FUNC(name,NAME) NAME ## _" >>confdefs.h -+ -+ $as_echo "@%:@define F77_FUNC_(name,NAME) NAME ## _" >>confdefs.h -+ ;; -+ "upper case, underscore, extra underscore") -+ $as_echo "@%:@define F77_FUNC(name,NAME) NAME ## _" >>confdefs.h -+ -+ $as_echo "@%:@define F77_FUNC_(name,NAME) NAME ## __" >>confdefs.h -+ ;; -+ *) -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: unknown Fortran name-mangling scheme" >&5 -+$as_echo "$as_me: WARNING: unknown Fortran name-mangling scheme" >&2;} -+ ;; -+esac -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ fi -+ -+ -+ -+ -+ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ -+F77=$f90 # use Fortran 90 actually -+FFLAGS="$test_fflags" -+LDFLAGS="$test_ldflags" -+ -+# Checking BLAS... -+ -+ -+have_blas=0 -+ -+# Flags for machine-specific libraries -+have_acml=0 -+have_atlas=0 -+have_essl=0 -+have_mkl=0 -+ -+ -+@%:@ Check whether --with-internal-blas was given. -+if test "${with_internal_blas+set}" = set; then : -+ withval=$with_internal_blas; if test "$withval" = "yes" ; then -+ use_internal_blas=1 -+ else -+ use_internal_blas=0 -+ fi -+else -+ use_internal_blas=0 -+fi -+ -+ -+# check for blas -+# supported vendor replacements: -+# mkl and acml on Intel/AMD architectures -+# essl on aix -+# SUNperf on sparc -+# atlas is used over blas if available -+# internal version is used if none is found -+ -+if test "$use_internal_blas" -eq 0 -+then -+ if test "$blas_libs" = "" -+ then -+ # check directories in LD_LIBRARY_PATH too -+ # (maybe they are already searched by default, but I'm not sure) -+ ld_library_path=`echo $LD_LIBRARY_PATH | sed 's/:/ /g'` -+ -+ case "$arch:$f90" in -+ -+ x86_64:path* | x86_64:openf95 | crayxt*:* ) -+ # check for acml - note that it contains lapack as well -+ try_libdirs="/opt/acml*/pathscale64/lib/" -+ try_libdirs="$ld_library_path $libdirs $try_libdirs" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ -+ if test "$use_openmp" -eq 0; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' acml; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ have_acml=1 blas_libs="$try_loption $LIBS" -+fi -+ -+ else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' acml_mp; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ have_acml=1 blas_libs="$try_loption $LIBS" -+fi -+ -+ fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ x86_64:pgf* ) -+ try_libdirs="/opt/acml*/pathscale64/lib/" -+ try_libdirs="$ld_library_path $libdirs $try_libdirs" -+ -+ # Check first MKL... -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ -+ # Check first MKL... -+ FFLAGS="$test_fflags" -+ LDFLAGS="$MKL_FLAGS $test_ldflags $try_loption" -+ LIBS="$MKL_LIBS" -+ -+ if test "$use_openmp" -eq 0; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core -ldl $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core -ldl -lpthread -lm $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_core -lmkl_pgi_thread" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ -+ # ... then ACML -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ -+ if test "$use_openmp" -eq 0; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' acml; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ have_acml=1 blas_libs="$try_loption $LIBS" -+fi -+ -+ else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' acml_mp; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ have_acml=1 blas_libs="$try_loption $LIBS" -+fi -+ -+ fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ ia64:* ) -+ # check for mkl (in several directories) -+ try_libdirs="/opt/intel/Compiler/*/*/mkl/lib/64 -+ /opt/intel/mkl/*/lib/64 -+ /opt/intel/mkl*/lib/64 -+ /opt/intel/mkl/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption=" " -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$MKL_FLAGS $test_ldflags $try_loption" -+ LIBS="$MKL_LIBS" -+ # -+ # should work for recent MKL versions only -+ # -+ if test "$use_openmp" -eq 0; then -+ if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf_ipf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_ipf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ else -+ if test "$f90" = "g95" -o"$f90" = "gfortran"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf_ipf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_gnu_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_ipf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ fi -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ *:sunf95 ) -+ # check for acml - note that it contains lapack as well -+ if test "$arch" = "x86_64" -+ then -+ try_libdirs="/usr/local/sunstudio*/lib/amd64/" -+ else -+ try_libdirs="/usr/local/sunstudio*/lib/" -+ fi -+ try_libdirs="$libdirs $ld_library_path $try_libdirs" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' sunperf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ blas_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ x86_64:* ) -+ try_libdirs="/opt/intel/composer*/mkl/lib/intel64 -+ /opt/intel/Compiler/*/*/mkl/lib/em64t -+ /opt/intel/mkl/*/lib/em64t -+ /opt/intel/mkl*/lib/em64t -+ /opt/intel/mkl/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption=" " -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$MKL_FLAGS $test_ldflags $try_loption" -+ LIBS="$MKL_LIBS" -+ # -+ # should work for recent MKL versions only -+ # -+ if test "$use_openmp" -eq 0; then -+ if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ else -+ if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_gnu_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ fi -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ ia32:* ) -+ # check for mkl (in several directories) -+ try_libdirs="/opt/intel/composer*/mkl/lib/ia32 -+ /opt/intel/Compiler/*/*/mkl/lib/32 -+ /opt/intel/mkl/*/lib/32 -+ /opt/intel/mkl*/lib/32 -+ /opt/intel/mkl/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption="-L " -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$MKL_FLAGS $test_ldflags $try_loption" -+ LIBS="$MKL_LIBS" -+ # -+ # should work for recent MKL versions only -+ # -+ if test "$use_openmp" -eq 0; then -+ if test "$f90" = "g95" -o "$f90" = "gfortran"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ else -+ if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_gnu_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ fi -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ -+ done -+ ;; -+ -+ aix:* ) -+ # check for essl -+ unset ac_cv_search_dgemm # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 -+ blas_libs="$LIBS" -+fi -+ -+ # notice that some IBM machines may not need -lessl -+ # to load blas so the above test may fail -+ if test "`echo $blas_libs | grep essl`" != "" -+ then -+ have_essl=1 -+ try_dflags="$try_dflags -D__ESSL" -+ fi -+ # we need esslsmp for hybrid (MPI+OpenMP) build -+ if test "$have_essl"="1"; then -+ if test "$use_openmp" -ne 0 ; then -+ blas_libs="-lesslsmp" -+ fi -+ fi -+ ;; -+ -+ sparc:* | solaris:* ) -+ # check for SUNperf library -+ unset ac_cv_search_dgemm # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' sunperf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ blas_libs="-xlic_lib=sunperf $LIBS" -+fi -+ -+ ;; -+ necsx:* ) -+ #sx5-nec or sx6-nec or sx8-nec: check in (/SX)/usr/lib -+ #sx8-nec-idris: check in /SX/opt/mathkeisan/inst/lib0 -+ try_libdirs="/SX/usr/lib /SX/opt/mathkeisan/inst/lib0" -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' blas; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 -+ blas_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ ppc64:* ) -+ # check for essl -+ unset ac_cv_search_dgemm # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 -+ blas_libs="$LIBS" -+fi -+ -+ # notice that some IBM machines may not need -lessl -+ # to load blas so the above test may fail -+ if test "`echo $blas_libs | grep essl`" != "" -+ then -+ have_essl=1 -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+ fi -+ # OBM:Yet another work-around if the above search -+ # returns "none required" -+ if test "$ac_cv_search_dgemm" = "none required" -+ then -+ echo "There is no need for -lessl in this machine" -+ have_essl=1 -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+ fi -+ # we need esslsmp for hybrid (MPI+OpenMP) build -+ if test "$have_essl"="1"; then -+ if test "$use_openmp" -ne 0 ; then -+ blas_libs="-lesslsmp" -+ fi -+ fi -+ ;; -+ -+ ppc64-*:* ) -+ # assume essl -+ unset ac_cv_search_dgemm # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ have_blas=1 -+ have_essl=1 -+ # BlueGene: for some obscure reason there is no need to -+ # specify a library path to have essl linked, while -+ # in reality it is needed to specify where essl are -+ if test "$arch"="ppc64-bg"; then -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+ if test "$blas_libs"=""; then -+ if test "$use_openmp" -eq 0 ; then -+ blas_libs="-L/opt/ibmmath/essl/4.4/lib/ -lesslbg" -+ else -+ blas_libs="-L/opt/ibmmath/essl/4.4/lib/ -lesslsmpbg" -+ fi -+ fi -+ else -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+ fi -+ ;; -+ mac686:ifort* ) -+ #This solution is tested with MacOs 10.6 and Intel 11.1 -+ #..and now MacOs 10.8.3 and Intel 13 -+ try_libdirs="/Developer/opt/intel/Compiler/*/*/Frameworks/mkl/lib/universal -+ /opt/intel/Compiler/*/*/Frameworks/mkl/lib/universal -+ /opt/intel/mkl*/lib/em64t -+ /opt/intel/mkl/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption="" -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$MKL_FLAGS $test_ldflags $try_loption" -+ LIBS="$MKL_LIBS" -+ # First, a by-the-apple-book search of MKL... >10.2 requires multiple libraries -+ # 64 bit is buggy as of 11.1.088 -+ if test "$use_openmp" -eq 0; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core -lpthread $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core -lpthread" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_intel_thread -lmkl_core -openmp -lpthread $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core -openmp -lpthread" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ # 32 bit -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ -+ esac -+ # blas not (yet) found: look for more possibilities -+ if test "$have_blas" -eq 0 -+ then -+ case "$f90" in -+ pgf* ) -+ # check for PGI blas -+ unset ac_cv_search_dgemm # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' blas; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 blas_libs="$LIBS" -+fi -+ -+ ;; -+ esac -+ fi -+ -+ if test "$have_blas" -eq 0 -+ then -+ # check for atlas (in several directories) -+ try_libdirs="/usr/local/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="-latlas" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' f77blas; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lg2c $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_atlas=1 -+ blas_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ fi -+ -+ # blas still not found -+ -+ if test "$have_blas" -eq 0 -+ then -+ # check for blas (in several directories) -+ try_libdirs="/usr/local/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if ${ac_cv_search_dgemm+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' blas-3 openblas blas; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dgemm+:} false; then : -+ -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 -+ blas_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ fi -+ else -+ # blas provided in BLAS_LIBS - not checked! -+ have_blas=1 -+ fi -+fi -+ -+# no blas library found, or internal blas required: use the built-in blas -+# (blas_libs is used in the above lapack tests: do not move the following -+# settings above lapack tests, which would seem a more logical place) -+ -+if test "$have_blas" -eq 0 -o "$use_internal_blas" -eq 1 ; then -+ blas_libs="$topdir/BLAS/blas.a" -+ blas_libs_switch="internal" -+else -+ blas_libs_switch="external" -+fi -+ -+# Internal BLAS/LAPACK sometimes have to be handled differently... -+if test "$extlib_flags" = "" ; then -+ case "$arch:$f90_version" in -+ x86_64:nagfor* ) -+ extlib_flags="-O2 -kind=byte -dcfuns -mismatch" -+ ;; -+ ppc64:* ) -+ extlib_flags="-q64 -qthreaded" -+ ;; -+ * ) -+ extlib_flags="-O2" -+ ;; -+ esac -+fi -+ -+blas_line="BLAS_LIBS=$blas_libs" -+echo setting BLAS_LIBS... $blas_libs -+ -+ -+ -+ -+ -+ac_config_files="$ac_config_files install/make_blas.inc" -+ -+ -+ -+ -+ -+# Checking LAPACK... -+ -+ -+have_lapack=0 -+ -+ -+@%:@ Check whether --with-internal-lapack was given. -+if test "${with_internal_lapack+set}" = set; then : -+ withval=$with_internal_lapack; if test "$withval" = "yes" ; then -+ use_internal_lapack=1 -+ else -+ use_internal_lapack=0 -+ fi -+else -+ use_internal_lapack=0 -+fi -+ -+ -+# check for lapack -+# -+# same supported vendor replacements as for blas -+# internal version is used if none is found -+if test "$use_internal_lapack" -eq 0 -+ then -+ if test "$lapack_libs" = "" -+ then -+ # check directories in LD_LIBRARY_PATH too -+ # (maybe they are already searched by default, but I'm not sure) -+ ld_library_path=`echo $LD_LIBRARY_PATH | sed 's/:/ /g'` -+ -+ case "$arch:$f90" in -+ -+ ia32:* | ia64:*| x86_64:* ) -+ # check for mkl_lapack (if mkl found and acml not found) -+ # OBSOLESCENT - recent versions of mkl contain lapack -+ if test "$have_mkl" -ne 0 && test "$have_acml" -eq 0 -+ then -+ unset ac_cv_search_dspev ac_lib # clear cached value -+ FFLAGS="$test_fflags" -+ LIBS=" $blas_libs" -+ LDFLAGS="$MKL_FLAGS $test_ldflags" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if ${ac_cv_search_dspev+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' mkl_lapack; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dspev=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dspev+:} false; then : -+ -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+fi -+ -+ if test "$ac_lib" != "" ; then lapack_libs="-l$ac_lib"; fi -+ fi -+ ;; -+ -+ sparc:* ) -+ # check for SUNperf library -+ unset ac_cv_search_dspev # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$blas_libs" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if ${ac_cv_search_dspev+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' sunperf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dspev=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dspev+:} false; then : -+ -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+ lapack_libs="-xlic_lib=sunperf $LIBS" -+fi -+ -+ ;; -+ aix:* ) -+ # check for essl -+ unset ac_cv_search_dspev # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$blas_libs" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if ${ac_cv_search_dspev+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dspev=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dspev+:} false; then : -+ -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+ lapack_libs="$try_loption $LIBS" -+ try_dflags="$try_dflags -D__ESSL" -+fi -+ -+ # essl may not have been found in previous test on blas -+ if test "$have_lapack" -eq 1; then have_essl=1; fi -+ ;; -+ ppc64:* ) -+ # check for essl -+ unset ac_cv_search_dspev # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$blas_libs" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if ${ac_cv_search_dspev+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dspev=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dspev+:} false; then : -+ -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+ lapack_libs="$try_loption $LIBS" -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+fi -+ -+ # essl may not have been found in previous test on blas -+ if test "$have_lapack" -eq 1; then have_essl=1; fi -+ ;; -+ -+ necsx:* ) -+ #sx5-nec or sx6-nec or sx8-nec: check in (/SX)/usr/lib -+ #sx8-nec-idris: check in /SX/opt/mathkeisan/inst/lib0 -+ try_libdirs="/SX/usr/lib /SX/opt/mathkeisan/inst/lib0" -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dspev # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption $blas_libs" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if ${ac_cv_search_dspev+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' lapack; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dspev=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dspev+:} false; then : -+ -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+ lapack_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dspev" != "no" -+ then break ; fi -+ done -+ ;; -+ esac -+ -+ if test "$have_lapack" -eq 0 -+ then -+ # check for lapack (in several directories) -+ try_libdirs="/usr/local/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dspev # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="$blas_libs" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if ${ac_cv_search_dspev+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' lapack-3 lapack; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dspev=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dspev+:} false; then : -+ -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+ lapack_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dspev" != "no"; then -+ # essl must precede lapack (if present) -+ if test "$have_essl" -ne 0 ; then -+ lapack_libs="$blas_libs $lapack_libs" -+ fi -+ break -+ fi -+ done -+ fi -+ -+ else -+ # lapack provided in LAPACK_LIBS - not checked! -+ have_lapack=1 -+ fi -+fi -+ -+# no lapack library found, or incomplete lapack found (atlas, essl), -+# or internal lapack esplicitly required -+ -+if test "$have_lapack" -eq 0 -o "$use_internal_lapack" -eq 1 ; then -+ lapack_libs="$topdir/lapack-3.2/lapack.a" -+ lapack_libs_switch="internal" -+else -+ if test "$have_essl" -eq 1 -o "$have_atlas" -eq 1 ; then -+ # IBM essl or atlas: add missing lapack routines - must be loaded after lib -+ # atlas: add missing lapack routines so as to complete atlas -+ # note that some compilers do not like to have multiple symbols -+ lapack_libs="$lapack_libs $topdir/lapack-3.2/lapack.a" -+ lapack_libs_switch="internal" -+ else -+ lapack_libs_switch="external" -+ fi -+fi -+ -+ lapack_line="LAPACK_LIBS=$lapack_libs" -+ -+ -+ -+ -+ -+ ac_config_files="$ac_config_files install/make_lapack.inc" -+ -+ -+ -+ -+ -+# Checking for FFT... -+ -+ -+have_fft=0 -+ -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking FFT" >&5 -+$as_echo_n "checking FFT... " >&6; } -+ -+# check for FFT libraries (no check for explicit openmp) -+# supported vendor replacements: -+# essl on aix and some IBM linux machines -+# SUNperf on sparc -+# ASL/Mathkeisan on Nec -+# acml on amd -+if test "$fft_libs" = "" && test "$use_openmp" -eq 0 -+then -+ # check directories in LD_LIBRARY_PATH too -+ # (maybe they are already searched by default, but I'm not sure) -+ ld_library_path=`echo $LD_LIBRARY_PATH | sed 's/:/ /g'` -+ -+ case "$arch" in -+ aix ) -+ # check for essl -+ unset ac_cv_search_dcft # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$fft_libs" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dcft" >&5 -+$as_echo_n "checking for library containing dcft... " >&6; } -+if ${ac_cv_search_dcft+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dcft -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dcft=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dcft+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dcft+:} false; then : -+ -+else -+ ac_cv_search_dcft=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dcft" >&5 -+$as_echo "$ac_cv_search_dcft" >&6; } -+ac_res=$ac_cv_search_dcft -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 fft_libs="$LIBS" -+fi -+ -+ ;; -+ ppc64 | ppc64-mn ) -+ # check for essl -+ unset ac_cv_search_dcft # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$fft_libs" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dcft" >&5 -+$as_echo_n "checking for library containing dcft... " >&6; } -+if ${ac_cv_search_dcft+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dcft -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dcft=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dcft+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dcft+:} false; then : -+ -+else -+ ac_cv_search_dcft=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dcft" >&5 -+$as_echo "$ac_cv_search_dcft" >&6; } -+ac_res=$ac_cv_search_dcft -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 fft_libs="$LIBS" -+fi -+ -+ ;; -+ ppc64-bg | ppc64-bgq ) -+ # check for esslbg -+ unset ac_cv_search_dcft # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$fft_libs $blas_libs" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dcft" >&5 -+$as_echo_n "checking for library containing dcft... " >&6; } -+if ${ac_cv_search_dcft+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dcft -+ end -+_ACEOF -+for ac_lib in '' esslbg; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dcft=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dcft+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dcft+:} false; then : -+ -+else -+ ac_cv_search_dcft=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dcft" >&5 -+$as_echo "$ac_cv_search_dcft" >&6; } -+ac_res=$ac_cv_search_dcft -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 fft_libs="$LIBS" -+fi -+ -+ ;; -+ sparc ) -+ # check for SUNperf FFT library on Sun Sparcs -+ # but not on solaris PC! it is slower than FFTW -+ unset ac_cv_search_zfft3i # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$libs" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing zfft3i" >&5 -+$as_echo_n "checking for library containing zfft3i... " >&6; } -+if ${ac_cv_search_zfft3i+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call zfft3i -+ end -+_ACEOF -+for ac_lib in '' sunperf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_zfft3i=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_zfft3i+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_zfft3i+:} false; then : -+ -+else -+ ac_cv_search_zfft3i=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_zfft3i" >&5 -+$as_echo "$ac_cv_search_zfft3i" >&6; } -+ac_res=$ac_cv_search_zfft3i -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 -+ try_dflags="$try_dflags -D__SUNPERF" -+ fft_libs="-xlic_lib=sunperf $LIBS" -+fi -+ -+ ;; -+ necsx ) -+ if test "$use_fft_mathkeisan" -ne 0 -+ then -+ #sx5-nec or sx6-nec or sx8-nec: check in (/SX)/usr/lib -+ #sx8-nec-idris: check in /SX/opt/mathkeisan/inst/lib0 -+ try_libdirs="/SX/usr/lib /SX/opt/mathkeisan/inst/lib0" -+ #check for Mathkeisan (Cray simple precision ) -+ #search for initialization subroutine -+ echo $ECHO_N "Searching in Mathkeisan" $ECHO_C -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_zftfax # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing zftfax" >&5 -+$as_echo_n "checking for library containing zftfax... " >&6; } -+if ${ac_cv_search_zftfax+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call zftfax -+ end -+_ACEOF -+for ac_lib in '' fft; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_zftfax=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_zftfax+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_zftfax+:} false; then : -+ -+else -+ ac_cv_search_zftfax=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_zftfax" >&5 -+$as_echo "$ac_cv_search_zftfax" >&6; } -+ac_res=$ac_cv_search_zftfax -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 -+ try_dflags="$try_dflags try_dflags_fft_mathkeisan" -+ fft_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_zftfax" != "no" -+ then break ; fi -+ done -+ fi -+ if test "$use_fft_asl" -ne 0 -+ then -+ #check for asl in (/SX)/usr/lib -+ try_libdirs="/SX/usr/lib" -+ #search for initialization subroutine -+ echo $ECHO_N "Searching in Asl" $ECHO_C -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_zfc3cl # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing zfc3cl" >&5 -+$as_echo_n "checking for library containing zfc3cl... " >&6; } -+if ${ac_cv_search_zfc3cl+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call zfc3cl -+ end -+_ACEOF -+for ac_lib in '' asl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_zfc3cl=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_zfc3cl+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_zfc3cl+:} false; then : -+ -+else -+ ac_cv_search_zfc3cl=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_zfc3cl" >&5 -+$as_echo "$ac_cv_search_zfc3cl" >&6; } -+ac_res=$ac_cv_search_zfc3cl -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 -+ asl_libs="$try_loption $LIBS" -+ try_dflags="$try_dflags $try_dflags_fft_asl" -+ fft_libs="$fft_libs $asl_libs" -+fi -+ -+ if test "$ac_cv_search_zfc3cl" != "no" -+ then break ; fi -+ done -+ fi -+ if test "$use_fft_para" -ne 0 -+ then -+ try_dflags="$try_dflags $try_dflags_fft_para" -+ fi -+ ;; -+ esac -+ -+fi -+ -+if test "$have_fft" -eq 0 && test "$use_openmp" -eq 0 -+then -+ -+ # check for fftw v.3 (in several directories) -+ try_libdirs="/usr/local/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dfftw_execute_dft # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ CFLAGS="$test_cflags" -+ CPPFLAGS="$test_cppflags" -+ LDFLAGS="$c_ldflags $try_loption" -+ LIBS="$fft_libs" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dfftw_execute_dft" >&5 -+$as_echo_n "checking for library containing dfftw_execute_dft... " >&6; } -+if ${ac_cv_search_dfftw_execute_dft+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call dfftw_execute_dft -+ end -+_ACEOF -+for ac_lib in '' fftw3; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lm $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dfftw_execute_dft=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dfftw_execute_dft+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_dfftw_execute_dft+:} false; then : -+ -+else -+ ac_cv_search_dfftw_execute_dft=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dfftw_execute_dft" >&5 -+$as_echo "$ac_cv_search_dfftw_execute_dft" >&6; } -+ac_res=$ac_cv_search_dfftw_execute_dft -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 -+ fft_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dfftw_execute_dft" != "no" -+ then -+ try_dflags="$try_dflags -D__FFTW3" -+ break -+ fi -+ done -+ -+fi -+ -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${fft_libs}" >&5 -+$as_echo "${fft_libs}" >&6; } -+ -+fft_line="FFT_LIBS=$fft_libs" -+ -+# if no valid FFT library was found, use the local copy -+# (This happens also if OpenMP is enabled...) -+if test "$have_fft" -eq 0 -+then -+ case "$arch" in -+ ppc64-bg | ppc64-bgq ) -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+ ;; -+ * ) -+ try_dflags="$try_dflags -D__FFTW" -+ ;; -+ esac -+fi -+ -+ -+ -+ -+ -+ -+ -+# Checking for IBM MASS library... -+ -+ -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking MASS" >&5 -+$as_echo_n "checking MASS... " >&6; } -+ -+ # check for mass on aix -+if test "$mass_libs" = "" -+then -+ # check directories in LD_LIBRARY_PATH too -+ # (maybe they are already searched by default, but I'm not sure) -+ ld_library_path=`echo $LD_LIBRARY_PATH | sed 's/:/ /g'` -+ -+ case "$arch" in -+ aix | ppc64-bg ) -+ # check for mass (in several directories) -+ try_libdirs="/opt/ibmcmp/xlmass/bg/7.3/bglib64 /opt/ibmcmp/xlmass/bg/4.4/bglib /cineca/lib /cineca/lib/mass" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_vexp # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing vexp" >&5 -+$as_echo_n "checking for library containing vexp... " >&6; } -+if ${ac_cv_search_vexp+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call vexp -+ end -+_ACEOF -+for ac_lib in '' massvp4 massv; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmass $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_vexp=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_vexp+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_vexp+:} false; then : -+ -+else -+ ac_cv_search_vexp=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_vexp" >&5 -+$as_echo "$ac_cv_search_vexp" >&6; } -+ac_res=$ac_cv_search_vexp -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ -+fi -+ -+ if test "$ac_cv_search_vexp" = "-lmassvp4" \ -+ -o "$ac_cv_search_vexp" = "-lmassv" -+ then mass_libs="$try_loption $ac_cv_search_vexp -lmass" -+ fi -+ if test "$ac_cv_search_vexp" != "no" ; then break ; fi -+ done -+ ;; -+ ppc64-bgq ) -+ # check for mass (in several directories) -+ try_libdirs="/opt/ibmcmp/xlmass/bg/7.3/bglib64" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_vexp # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing vexp" >&5 -+$as_echo_n "checking for library containing vexp... " >&6; } -+if ${ac_cv_search_vexp+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call vexp -+ end -+_ACEOF -+for ac_lib in '' massv; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmass_simd $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_vexp=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_vexp+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_vexp+:} false; then : -+ -+else -+ ac_cv_search_vexp=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_vexp" >&5 -+$as_echo "$ac_cv_search_vexp" >&6; } -+ac_res=$ac_cv_search_vexp -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ -+fi -+ -+ if test "$ac_cv_search_vexp" = "-lmassv" -+ then mass_libs="$try_loption $ac_cv_search_vexp -lmass_simd" -+ fi -+ if test "$ac_cv_search_vexp" != "no" ; then break ; fi -+ done -+ ;; -+ -+ ppc64* ) -+ # check for mass (in several directories) -+ try_libdirs="/usr/local/lib /opt/ibmcmp/xlmass/*/lib64" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_vexp # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing vexp" >&5 -+$as_echo_n "checking for library containing vexp... " >&6; } -+if ${ac_cv_search_vexp+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call vexp -+ end -+_ACEOF -+for ac_lib in '' massvp4_64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmass_64 $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_vexp=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_vexp+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_vexp+:} false; then : -+ -+else -+ ac_cv_search_vexp=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_vexp" >&5 -+$as_echo "$ac_cv_search_vexp" >&6; } -+ac_res=$ac_cv_search_vexp -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ -+fi -+ -+ if test "$ac_cv_search_vexp" = "-lmassvp4_64" -+ then mass_libs="$try_loption $ac_cv_search_vexp -lmass_64" -+ fi -+ if test "$ac_cv_search_vexp" != "no" ; then break ; fi -+ done -+ ;; -+ -+ esac -+fi -+ -+if test "$mass_libs" != ""; then -+ try_dflags="$try_dflags -D__MASS" -+ if test "$arch" = "ppc64-bg"; then -+ # BlueGene wants this when mass libs are loaded, SP6 doesn't want this! -+ ldflags="$ldflags -Wl,--allow-multiple-definition" -+ fi -+ if test "$arch" = "ppc64-bgq"; then -+ # BlueGene wants this when mass libs are loaded, SP6 doesn't want this! -+ ldflags="$ldflags -Wl,--allow-multiple-definition" -+ fi -+fi -+ -+# Configuring output message -+if test "$mass_libs" != "" ; then -+ mass_line="MASS_LIBS=$mass_libs" -+else -+ mass_line="@delete@" -+fi -+ -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${mass_libs}" >&5 -+$as_echo "${mass_libs}" >&6; } -+ -+ -+ -+ -+ -+ -+ -+# check for MPI library... -+ -+ -+have_mpi=0 -+ -+# some architectures require to link mpi libraries explicitly -+F77=$mpif90 # use parallel compiler -+if test "$mpi_libs" = "" -+then -+ # check directories in LD_LIBRARY_PATH too -+ # (maybe they are already searched by default, but I'm not sure) -+ ld_library_path=`echo $LD_LIBRARY_PATH | sed 's/:/ /g'` -+ -+ if test "$use_parallel" -ne 0 -+ then -+ if test "$have_mpi" -eq 0 -+ # check for mpi -+ then -+ unset ac_cv_search_mpi_init # clear cached value -+ LDFLAGS="$test_ldflags" -+ LIBS="$mpi_libs" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing mpi_init" >&5 -+$as_echo_n "checking for library containing mpi_init... " >&6; } -+if ${ac_cv_search_mpi_init+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call mpi_init -+ end -+_ACEOF -+for ac_lib in '' mpi; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_mpi_init=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_mpi_init+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_mpi_init+:} false; then : -+ -+else -+ ac_cv_search_mpi_init=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_mpi_init" >&5 -+$as_echo "$ac_cv_search_mpi_init" >&6; } -+ac_res=$ac_cv_search_mpi_init -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_mpi=1 parallel=1 mpi_libs="$LIBS" try_dflags="$try_dflags -D__MPI -D__PARA" -+fi -+ -+ fi -+ fi -+fi -+ -+# Configuring output message -+if test "$mpi_libs" != "" ; then -+ mpi_line="MPI_LIBS=$mpi_libs" -+else -+ mpi_line="@delete@" -+fi -+ -+# Parallel report -+if test "$use_parallel" -ne 0 -+then -+ if test "$parallel" -ne 0 -+ then -+ parallel_report="Parallel environment detected successfully.\\ -+Configured for compilation of parallel executables." -+ else -+ parallel_report="Parallel environment not detected \ -+\(is this a parallel machine?\).\\ -+Configured for compilation of serial executables." -+ fi -+else -+ parallel_report="Configured for compilation of serial executables." -+fi -+ -+ -+ -+ -+ -+ -+ -+ -+# Setting ScaLAPACK... -+ -+ -+have_scalapack=0 -+ -+ -+@%:@ Check whether --with-scalapack was given. -+if test "${with_scalapack+set}" = set; then : -+ withval=$with_scalapack; if test "$withval" = "yes" ; then -+ with_scalapack=1 -+ elif test "$withval" = "intel" ; then -+ with_scalapack=2 -+ elif test "$withval" = "no" ; then -+ with_scalapack=0 -+ fi -+else -+ with_scalapack=1 -+fi -+ -+ -+# final check on availability of parallel environment -+for dummy in x # to allow simple 'break' -+do -+ test "$have_mpi" -eq 0 && break -+ -+ F77=$mpif90 -+ LIBS="$mpi_libs" -+ -+# look for scalapack if required -+ test "$with_scalapack" -eq 0 && break -+ if test "$scalapack_libs" = "" ; then -+# no additional libraries needed -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_pdgemr2d=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+fi -+ -+ test "$have_scalapack" -eq 1 && break -+ -+if test "$have_mkl" -eq 1 -+ then -+ unset ac_cv_search_pdgemr2d # clear cached value -+ LIBS="-lmkl_blacs_lp64 $mpi_libs $blas_libs" -+ if test $with_scalapack -eq 1; then -+ scalapack_libs=-lmkl_blacs_openmpi_lp64 -+ else -+ scalapack_libs=-lmkl_blacs_intelmpi_lp64 -+ fi -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "mkl_scalapack_lp64" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_pdgemr2d=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+ scalapack_libs="-lmkl_scalapack_lp64 $scalapack_libs" -+fi -+ -+ test "$have_scalapack" -eq 1 && break -+fi -+# -+# sci libraries (e.g. cray xt) -+ unset ac_cv_search_pdgemr2d # clear cached value -+ scalapack_libs="-lsci" -+ LIBS="$mpi_libs $scalapack_libs" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_pdgemr2d=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+fi -+ -+ test "$have_scalapack" -eq 1 && break -+# scalapack (including blacs), no -L options -+ unset ac_cv_search_pdgemr2d # clear cached value -+ scalapack_libs="-lscalapack" -+ LIBS="$mpi_libs $scalapack_libs" -+ LDFLAGS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_pdgemr2d=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+fi -+ -+ test "$have_scalapack" -eq 1 && break -+# scalapack + blacs, no -L options -+ unset ac_cv_search_pdgemr2d # clear cached value -+ blacs_libs="-lblacs -lblacsF77init -lblacs" -+ scalapack_libs="-lscalapack $blacs_libs" -+ LIBS="$mpi_libs $scalapack_libs" -+ LDFLAGS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_pdgemr2d=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+fi -+ -+ test "$have_scalapack" -eq 1 && break -+# scalapack + blacs with -L options -+ unset ac_cv_search_pdgemr2d # clear cached value -+ if test "$scalapack_dir" = ""; then scalapack_dir="/bgsys/local/scalapack/lib"; fi -+ if test "$blacs_dir" = ""; then blacs_dir="/bgsys/local/blacs/lib"; fi -+ blacs_libs="-L$blacs_dir -lblacs -lblacsF77init -lblacs" -+ scalapack_libs="-L$scalapack_dir -lscalapack $blacs_libs" -+ LIBS="$mpi_libs $scalapack_libs" -+ LDFLAGS="" -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_pdgemr2d=$ac_res -+fi -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : -+ break -+fi -+done -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then : -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+fi -+ -+ else -+ # scalapack provided in SCALAPACK_LIBS - not checked! -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+ fi -+done -+ -+# Configuring output message -+if test "$have_scalapack" -eq 1; then -+ scalapack_line="SCALAPACK_LIBS=$scalapack_libs" -+else -+ scalapack_libs="" -+ scalapack_line="@delete@" -+fi -+ -+ -+ -+ -+ -+ -+ -+# Setting ELPA... -+ -+ -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking ELPA" >&5 -+$as_echo_n "checking ELPA... 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" >&6; } -+ -+ -+@%:@ Check whether --with-hdf5 was given. -+if test "${with_hdf5+set}" = set; then : -+ withval=$with_hdf5; if test "$withval" = "yes" ; then -+ with_hdf5=1 -+ else -+ with_hdf5=0 -+ fi -+else -+ with_hdf5=0 -+fi -+ -+ -+hdf5_libs="" -+ -+cflags_c99="" -+ -+if test "$with_hdf5" -eq 1; then -+ CPPFLAGS="-I${hdf5_dir}/include" -+# LIBS="-L${hdf5_dir}/lib -lhdf5_fortran -lhdf5_hl -lhdf5" -+ LIBS="-L${hdf5_dir}/lib -lhdf5_hl -lhdf5" -+ echo $CPPFLAGS -+ echo $LIBS -+ ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ ac_fn_c_check_header_mongrel "$LINENO" "hdf5.h" "ac_cv_header_hdf5_h" "$ac_includes_default" -+if test "x$ac_cv_header_hdf5_h" = xyes; then : -+ have_hdf5=1 -+else -+ as_fn_error $? "Cannot find HDF5 header file." "$LINENO" 5 -+fi -+ -+ -+ if test "$have_hdf5" -eq 1 ; then -+ try_iflags="$try_iflags -I${hdf5_dir}/include" ; fi -+ ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ -+# unset ac_cv_search_h5pset_fapl_mpio_c # clear cached value -+# AC_SEARCH_LIBS(h5pset_fapl_mpio_c, "", have_hdf5=1, AC_MSG_ERROR(Cannot find parallel HDF5 Fortran library.)) -+ if test "$have_hdf5" -eq 1 ; then -+ try_dflags="$try_dflags -D__HDF5 -DH5_USE_16_API" -+ hdf5_libs="$LIBS" -+ else -+ hdf5_libs="" -+ fi -+ cflags_c99="-std=c99" -+fi -+ -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${hdf5_libs}" >&5 -+$as_echo "${hdf5_libs}" >&6; } -+ -+ -+ -+ -+ -+# Checking SIGNAL... -+ -+ -+ @%:@ Check whether --enable-signals was given. -+if test "${enable_signals+set}" = set; then : -+ enableval=$enable_signals; if test "$enableval" = "yes" ; then -+ use_signals=1 -+ else -+ use_signals=0 -+ fi -+else -+ use_signals=0 -+fi -+ -+ -+ # preprocessing flag for signal trapping (experimental) -+ if test "$use_signals" -eq 1 ; then try_dflags="$try_dflags -D__TRAP_SIGUSR1" ; fi -+ -+ -+ -+ -+# xlf compilers (AIX and powerpc) want comma-separated -D directives -+ -+ -+# xlf compilers (AIX and powerpc) want comma-separated -D directives -+if test "$xlf_flags" -ne 0 -+then -+ fdflags="`echo $dflags | sed 's/ */,/g'`" -+else -+ fdflags="\$(DFLAGS)" -+fi -+ -+ -+ -+ -+# Checking for ranlib... -+ -+ -+ -+ if test "$ranlib" != "echo" -+ then -+ # Extract the first word of "ranlib", so it can be a program name with args. -+set dummy ranlib; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... 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If it contains results you don't -+# want to keep, you may remove or edit it. -+# -+# config.status only pays attention to the cache file if you give it -+# the --recheck option to rerun configure. -+# -+# `ac_cv_env_foo' variables (set or unset) will be overridden when -+# loading this file, other *unset* `ac_cv_foo' will be assigned the -+# following values. -+ -+_ACEOF -+ -+# The following way of writing the cache mishandles newlines in values, -+# but we know of no workaround that is simple, portable, and efficient. -+# So, we kill variables containing newlines. -+# Ultrix sh set writes to stderr and can't be redirected directly, -+# and sets the high bit in the cache file unless we assign to the vars. -+( -+ for ac_var in `(set) 2>&1 | sed -n 's/^\([a-zA-Z_][a-zA-Z0-9_]*\)=.*/\1/p'`; do -+ eval ac_val=\$$ac_var -+ case $ac_val in #( -+ *${as_nl}*) -+ case $ac_var in #( -+ *_cv_*) { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: cache variable $ac_var contains a newline" >&5 -+$as_echo "$as_me: WARNING: cache variable $ac_var contains a newline" >&2;} ;; -+ esac -+ case $ac_var in #( -+ _ | IFS | as_nl) ;; #( -+ BASH_ARGV | BASH_SOURCE) eval $ac_var= ;; #( -+ *) { eval $ac_var=; unset $ac_var;} ;; -+ esac ;; -+ esac -+ done -+ -+ (set) 2>&1 | -+ case $as_nl`(ac_space=' '; set) 2>&1` in #( -+ *${as_nl}ac_space=\ *) -+ # `set' does not quote correctly, so add quotes: double-quote -+ # substitution turns \\\\ into \\, and sed turns \\ into \. -+ sed -n \ -+ "s/'/'\\\\''/g; -+ s/^\\([_$as_cr_alnum]*_cv_[_$as_cr_alnum]*\\)=\\(.*\\)/\\1='\\2'/p" -+ ;; #( -+ *) -+ # `set' quotes correctly as required by POSIX, so do not add quotes. -+ sed -n "/^[_$as_cr_alnum]*_cv_[_$as_cr_alnum]*=/p" -+ ;; -+ esac | -+ sort -+) | -+ sed ' -+ /^ac_cv_env_/b end -+ t clear -+ :clear -+ s/^\([^=]*\)=\(.*[{}].*\)$/test "${\1+set}" = set || &/ -+ t end -+ s/^\([^=]*\)=\(.*\)$/\1=${\1=\2}/ -+ :end' >>confcache -+if diff "$cache_file" confcache >/dev/null 2>&1; then :; else -+ if test -w "$cache_file"; then -+ if test "x$cache_file" != "x/dev/null"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: updating cache $cache_file" >&5 -+$as_echo "$as_me: updating cache $cache_file" >&6;} -+ if test ! -f "$cache_file" || test -h "$cache_file"; then -+ cat confcache >"$cache_file" -+ else -+ case $cache_file in #( -+ */* | ?:*) -+ mv -f confcache "$cache_file"$$ && -+ mv -f "$cache_file"$$ "$cache_file" ;; #( -+ *) -+ mv -f confcache "$cache_file" ;; -+ esac -+ fi -+ fi -+ else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: not updating unwritable cache $cache_file" >&5 -+$as_echo "$as_me: not updating unwritable cache $cache_file" >&6;} -+ fi -+fi -+rm -f confcache -+ -+test "x$prefix" = xNONE && prefix=$ac_default_prefix -+# Let make expand exec_prefix. -+test "x$exec_prefix" = xNONE && exec_prefix='${prefix}' -+ -+DEFS=-DHAVE_CONFIG_H -+ -+ac_libobjs= -+ac_ltlibobjs= -+U= -+for ac_i in : $LIB@&t@OBJS; do test "x$ac_i" = x: && continue -+ # 1. 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When coming back to configure, we -+# need to make the FD available again. -+if test "$no_create" != yes; then -+ ac_cs_success=: -+ ac_config_status_args= -+ test "$silent" = yes && -+ ac_config_status_args="$ac_config_status_args --quiet" -+ exec 5>/dev/null -+ $SHELL $CONFIG_STATUS $ac_config_status_args || ac_cs_success=false -+ exec 5>>config.log -+ # Use ||, not &&, to avoid exiting from the if with $? = 1, which -+ # would make configure fail if this is the last instruction. -+ $ac_cs_success || as_fn_exit 1 -+fi -+if test -n "$ac_unrecognized_opts" && test "$enable_option_checking" != no; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: unrecognized options: $ac_unrecognized_opts" >&5 -+$as_echo "$as_me: WARNING: unrecognized options: $ac_unrecognized_opts" >&2;} -+fi -+ -+ -+# final messages -+sed '/@delete@/d' configure.msg -+echo configure: success -diff -urN espresso-5.3.0-orig/install/autom4te.cache/requests espresso-5.3.0-new/install/autom4te.cache/requests ---- espresso-5.3.0-orig/install/autom4te.cache/requests 1969-12-31 18:00:00.000000000 -0600 -+++ espresso-5.3.0-new/install/autom4te.cache/requests 2016-08-29 20:13:54.937432987 -0500 -@@ -0,0 +1,78 @@ -+# This file was generated. -+# It contains the lists of macros which have been traced. -+# It can be safely removed. -+ -+@request = ( -+ bless( [ -+ '0', -+ 1, -+ [ -+ '/opt/local/share/autoconf' -+ ], -+ [ -+ '/opt/local/share/autoconf/autoconf/autoconf.m4f', -+ 'aclocal.m4', -+ 'configure.ac' -+ ], -+ { -+ 'AC_REQUIRE_AUX_FILE' => 1, -+ 'AM_GNU_GETTEXT' => 1, -+ 'AC_CANONICAL_SYSTEM' => 1, -+ 'AM_MAKEFILE_INCLUDE' => 1, -+ 'AM_ENABLE_MULTILIB' => 1, -+ 'AM_CONDITIONAL' => 1, -+ '_LT_AC_TAGCONFIG' => 1, -+ 'AC_CONFIG_AUX_DIR' => 1, -+ 'AC_SUBST' => 1, -+ 'm4_include' => 1, -+ 'AC_INIT' => 1, -+ 'LT_SUPPORTED_TAG' => 1, -+ 'm4_pattern_allow' => 1, -+ '_AM_MAKEFILE_INCLUDE' => 1, -+ 'AC_FC_FREEFORM' => 1, -+ 'AC_CONFIG_SUBDIRS' => 1, -+ 'AM_PROG_CC_C_O' => 1, -+ 'AM_POT_TOOLS' => 1, -+ 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-+ 'AC_CANONICAL_HOST' => 1 -+ } -+ ], 'Autom4te::Request' ) -+ ); -+ -diff -urN espresso-5.3.0-orig/install/autom4te.cache/traces.0 espresso-5.3.0-new/install/autom4te.cache/traces.0 ---- espresso-5.3.0-orig/install/autom4te.cache/traces.0 1969-12-31 18:00:00.000000000 -0600 -+++ espresso-5.3.0-new/install/autom4te.cache/traces.0 2016-08-29 20:13:54.937432987 -0500 -@@ -0,0 +1,600 @@ -+m4trace:aclocal.m4:14: -1- m4_include([m4/x_ac_qe_aix_dflags.m4]) -+m4trace:aclocal.m4:15: -1- m4_include([m4/x_ac_qe_ar.m4]) -+m4trace:aclocal.m4:16: -1- m4_include([m4/x_ac_qe_arch.m4]) -+m4trace:aclocal.m4:17: -1- m4_include([m4/x_ac_qe_blas.m4]) -+m4trace:aclocal.m4:18: -1- m4_include([m4/x_ac_qe_cc.m4]) -+m4trace:aclocal.m4:19: -1- m4_include([m4/x_ac_qe_cpp.m4]) -+m4trace:aclocal.m4:20: -1- m4_include([m4/x_ac_qe_default_env.m4]) -+m4trace:aclocal.m4:21: -1- m4_include([m4/x_ac_qe_elpa.m4]) -+m4trace:aclocal.m4:22: -1- m4_include([m4/x_ac_qe_environ.m4]) -+m4trace:aclocal.m4:23: -1- 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-1- m4_pattern_allow([^lapack_line$]) -+m4trace:configure.ac:72: -1- AC_CONFIG_FILES([install/make_lapack.inc]) -+m4trace:configure.ac:75: -1- AC_SUBST([fft_libs]) -+m4trace:configure.ac:75: -1- AC_SUBST_TRACE([fft_libs]) -+m4trace:configure.ac:75: -1- m4_pattern_allow([^fft_libs$]) -+m4trace:configure.ac:75: -1- AC_SUBST([fft_line]) -+m4trace:configure.ac:75: -1- AC_SUBST_TRACE([fft_line]) -+m4trace:configure.ac:75: -1- m4_pattern_allow([^fft_line$]) -+m4trace:configure.ac:78: -1- AC_SUBST([mass_libs]) -+m4trace:configure.ac:78: -1- AC_SUBST_TRACE([mass_libs]) -+m4trace:configure.ac:78: -1- m4_pattern_allow([^mass_libs$]) -+m4trace:configure.ac:78: -1- AC_SUBST([mass_line]) -+m4trace:configure.ac:78: -1- AC_SUBST_TRACE([mass_line]) -+m4trace:configure.ac:78: -1- m4_pattern_allow([^mass_line$]) -+m4trace:configure.ac:81: -1- AC_SUBST([mpi_libs]) -+m4trace:configure.ac:81: -1- AC_SUBST_TRACE([mpi_libs]) -+m4trace:configure.ac:81: -1- m4_pattern_allow([^mpi_libs$]) 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-+m4trace:configure.ac:90: -1- AC_SUBST_TRACE([hdf5_libs]) -+m4trace:configure.ac:90: -1- m4_pattern_allow([^hdf5_libs$]) -+m4trace:configure.ac:90: -1- AC_SUBST([cflags_c99]) -+m4trace:configure.ac:90: -1- AC_SUBST_TRACE([cflags_c99]) -+m4trace:configure.ac:90: -1- m4_pattern_allow([^cflags_c99$]) -+m4trace:configure.ac:99: -1- AC_SUBST([ranlib]) -+m4trace:configure.ac:99: -1- AC_SUBST_TRACE([ranlib]) -+m4trace:configure.ac:99: -1- m4_pattern_allow([^ranlib$]) -+m4trace:configure.ac:99: -1- AC_SUBST([ranlib]) -+m4trace:configure.ac:99: -1- AC_SUBST_TRACE([ranlib]) -+m4trace:configure.ac:99: -1- m4_pattern_allow([^ranlib$]) -+m4trace:configure.ac:102: -1- AC_SUBST([wget]) -+m4trace:configure.ac:102: -1- AC_SUBST_TRACE([wget]) -+m4trace:configure.ac:102: -1- m4_pattern_allow([^wget$]) -+m4trace:configure.ac:102: -1- AC_SUBST([wget]) -+m4trace:configure.ac:102: -1- AC_SUBST_TRACE([wget]) -+m4trace:configure.ac:102: -1- m4_pattern_allow([^wget$]) -+m4trace:configure.ac:102: -1- AC_SUBST([wget]) -+m4trace:configure.ac:102: -1- AC_SUBST_TRACE([wget]) -+m4trace:configure.ac:102: -1- m4_pattern_allow([^wget$]) -+m4trace:configure.ac:111: -1- AC_SUBST([hdf5_line]) -+m4trace:configure.ac:111: -1- AC_SUBST_TRACE([hdf5_line]) -+m4trace:configure.ac:111: -1- m4_pattern_allow([^hdf5_line$]) -+m4trace:configure.ac:112: -1- AC_SUBST([dflags]) -+m4trace:configure.ac:112: -1- AC_SUBST_TRACE([dflags]) -+m4trace:configure.ac:112: -1- m4_pattern_allow([^dflags$]) -+m4trace:configure.ac:113: -1- AC_SUBST([fdflags]) -+m4trace:configure.ac:113: -1- AC_SUBST_TRACE([fdflags]) -+m4trace:configure.ac:113: -1- m4_pattern_allow([^fdflags$]) -+m4trace:configure.ac:114: -1- AC_SUBST([iflags]) -+m4trace:configure.ac:114: -1- AC_SUBST_TRACE([iflags]) -+m4trace:configure.ac:114: -1- m4_pattern_allow([^iflags$]) -+m4trace:configure.ac:115: -1- AC_SUBST([ld_libs]) -+m4trace:configure.ac:115: -1- AC_SUBST_TRACE([ld_libs]) -+m4trace:configure.ac:115: -1- m4_pattern_allow([^ld_libs$]) -+m4trace:configure.ac:116: -1- AC_SUBST([topdir]) -+m4trace:configure.ac:116: -1- AC_SUBST_TRACE([topdir]) -+m4trace:configure.ac:116: -1- m4_pattern_allow([^topdir$]) -+m4trace:configure.ac:117: -1- AC_SUBST([extlib_flags]) -+m4trace:configure.ac:117: -1- AC_SUBST_TRACE([extlib_flags]) -+m4trace:configure.ac:117: -1- m4_pattern_allow([^extlib_flags$]) -+m4trace:configure.ac:119: -1- AC_CONFIG_HEADERS([include/c_defs.h:include/c_defs.h.in]) -+m4trace:configure.ac:120: -1- AC_CONFIG_FILES([include/fft_defs.h:include/fft_defs.h.in]) -+m4trace:configure.ac:123: -1- AC_CONFIG_FILES([make.sys]) -+m4trace:configure.ac:124: -1- AC_CONFIG_FILES([configure.msg]) -+m4trace:configure.ac:125: -1- AC_CONFIG_FILES([install/make_wannier90.sys]) -+m4trace:configure.ac:128: -1- AC_SUBST([LIB@&t@OBJS], [$ac_libobjs]) -+m4trace:configure.ac:128: -1- AC_SUBST_TRACE([LIB@&t@OBJS]) -+m4trace:configure.ac:128: -1- m4_pattern_allow([^LIB@&t@OBJS$]) -+m4trace:configure.ac:128: -1- AC_SUBST([LTLIBOBJS], [$ac_ltlibobjs]) -+m4trace:configure.ac:128: -1- AC_SUBST_TRACE([LTLIBOBJS]) -+m4trace:configure.ac:128: -1- m4_pattern_allow([^LTLIBOBJS$]) -+m4trace:configure.ac:128: -1- AC_SUBST_TRACE([top_builddir]) -+m4trace:configure.ac:128: -1- AC_SUBST_TRACE([top_build_prefix]) -+m4trace:configure.ac:128: -1- AC_SUBST_TRACE([srcdir]) -+m4trace:configure.ac:128: -1- AC_SUBST_TRACE([abs_srcdir]) -+m4trace:configure.ac:128: -1- AC_SUBST_TRACE([top_srcdir]) -+m4trace:configure.ac:128: -1- AC_SUBST_TRACE([abs_top_srcdir]) -+m4trace:configure.ac:128: -1- AC_SUBST_TRACE([builddir]) -+m4trace:configure.ac:128: -1- AC_SUBST_TRACE([abs_builddir]) -+m4trace:configure.ac:128: -1- AC_SUBST_TRACE([abs_top_builddir]) -diff -urN espresso-5.3.0-orig/install/configure espresso-5.3.0-new/install/configure ---- espresso-5.3.0-orig/install/configure 2016-01-09 02:24:17.000000000 -0600 -+++ espresso-5.3.0-new/install/configure 2016-08-29 20:13:54.937432987 -0500 -@@ -1,18 +1,20 @@ - #! /bin/sh - # Guess values for system-dependent variables and create Makefiles. --# Generated by GNU Autoconf 2.63 for ESPRESSO 5.3.0. -+# Generated by GNU Autoconf 2.69 for ESPRESSO 5.3.0. -+# -+# -+# Copyright (C) 1992-1996, 1998-2012 Free Software Foundation, Inc. -+# - # --# Copyright (C) 1992, 1993, 1994, 1995, 1996, 1998, 1999, 2000, 2001, --# 2002, 2003, 2004, 2005, 2006, 2007, 2008 Free Software Foundation, Inc. - # This configure script is free software; the Free Software Foundation - # gives unlimited permission to copy, distribute and modify it. --## --------------------- ## --## M4sh Initialization. ## --## --------------------- ## -+## -------------------- ## -+## M4sh Initialization. ## -+## -------------------- ## - - # Be more Bourne compatible - DUALCASE=1; export DUALCASE # for MKS sh --if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then -+if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then : - emulate sh - NULLCMD=: - # Pre-4.2 versions of Zsh do word splitting on ${1+"$@"}, which -@@ -20,23 +22,15 @@ - alias -g '${1+"$@"}'='"$@"' - setopt NO_GLOB_SUBST - else -- case `(set -o) 2>/dev/null` in -- *posix*) set -o posix ;; -+ case `(set -o) 2>/dev/null` in #( -+ *posix*) : -+ set -o posix ;; #( -+ *) : -+ ;; - esac -- - fi - - -- -- --# PATH needs CR --# Avoid depending upon Character Ranges. --as_cr_letters='abcdefghijklmnopqrstuvwxyz' --as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ' --as_cr_Letters=$as_cr_letters$as_cr_LETTERS --as_cr_digits='0123456789' --as_cr_alnum=$as_cr_Letters$as_cr_digits -- - as_nl=' - ' - export as_nl -@@ -44,7 +38,13 @@ - as_echo='\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\' - as_echo=$as_echo$as_echo$as_echo$as_echo$as_echo - as_echo=$as_echo$as_echo$as_echo$as_echo$as_echo$as_echo --if (test "X`printf %s $as_echo`" = "X$as_echo") 2>/dev/null; then -+# Prefer a ksh shell builtin over an external printf program on Solaris, -+# but without wasting forks for bash or zsh. -+if test -z "$BASH_VERSION$ZSH_VERSION" \ -+ && (test "X`print -r -- $as_echo`" = "X$as_echo") 2>/dev/null; then -+ as_echo='print -r --' -+ as_echo_n='print -rn --' -+elif (test "X`printf %s $as_echo`" = "X$as_echo") 2>/dev/null; then - as_echo='printf %s\n' - as_echo_n='printf %s' - else -@@ -55,7 +55,7 @@ - as_echo_body='eval expr "X$1" : "X\\(.*\\)"' - as_echo_n_body='eval - arg=$1; -- case $arg in -+ case $arg in #( - *"$as_nl"*) - expr "X$arg" : "X\\(.*\\)$as_nl"; - arg=`expr "X$arg" : ".*$as_nl\\(.*\\)"`;; -@@ -78,13 +78,6 @@ - } - fi - --# Support unset when possible. --if ( (MAIL=60; unset MAIL) || exit) >/dev/null 2>&1; then -- as_unset=unset --else -- as_unset=false --fi -- - - # IFS - # We need space, tab and new line, in precisely that order. Quoting is -@@ -94,15 +87,16 @@ - IFS=" "" $as_nl" - - # Find who we are. Look in the path if we contain no directory separator. --case $0 in -+as_myself= -+case $0 in #(( - *[\\/]* ) as_myself=$0 ;; - *) as_save_IFS=$IFS; IFS=$PATH_SEPARATOR - for as_dir in $PATH - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- test -r "$as_dir/$0" && as_myself=$as_dir/$0 && break --done -+ test -r "$as_dir/$0" && as_myself=$as_dir/$0 && break -+ done - IFS=$as_save_IFS - - ;; -@@ -114,12 +108,16 @@ - fi - if test ! -f "$as_myself"; then - $as_echo "$as_myself: error: cannot find myself; rerun with an absolute file name" >&2 -- { (exit 1); exit 1; } -+ exit 1 - fi - --# Work around bugs in pre-3.0 UWIN ksh. --for as_var in ENV MAIL MAILPATH --do ($as_unset $as_var) >/dev/null 2>&1 && $as_unset $as_var -+# Unset variables that we do not need and which cause bugs (e.g. in -+# pre-3.0 UWIN ksh). But do not cause bugs in bash 2.01; the "|| exit 1" -+# suppresses any "Segmentation fault" message there. '((' could -+# trigger a bug in pdksh 5.2.14. -+for as_var in BASH_ENV ENV MAIL MAILPATH -+do eval test x\${$as_var+set} = xset \ -+ && ( (unset $as_var) || exit 1) >/dev/null 2>&1 && unset $as_var || : - done - PS1='$ ' - PS2='> ' -@@ -131,330 +129,344 @@ - LANGUAGE=C - export LANGUAGE - --# Required to use basename. --if expr a : '\(a\)' >/dev/null 2>&1 && -- test "X`expr 00001 : '.*\(...\)'`" = X001; then -- as_expr=expr --else -- as_expr=false --fi -- --if (basename -- /) >/dev/null 2>&1 && test "X`basename -- / 2>&1`" = "X/"; then -- as_basename=basename --else -- as_basename=false --fi -- -- --# Name of the executable. --as_me=`$as_basename -- "$0" || --$as_expr X/"$0" : '.*/\([^/][^/]*\)/*$' \| \ -- X"$0" : 'X\(//\)$' \| \ -- X"$0" : 'X\(/\)' \| . 2>/dev/null || --$as_echo X/"$0" | -- sed '/^.*\/\([^/][^/]*\)\/*$/{ -- s//\1/ -- q -- } -- /^X\/\(\/\/\)$/{ -- s//\1/ -- q -- } -- /^X\/\(\/\).*/{ -- s//\1/ -- q -- } -- s/.*/./; q'` -- - # CDPATH. --$as_unset CDPATH -- -+(unset CDPATH) >/dev/null 2>&1 && unset CDPATH - -+# Use a proper internal environment variable to ensure we don't fall -+ # into an infinite loop, continuously re-executing ourselves. -+ if test x"${_as_can_reexec}" != xno && test "x$CONFIG_SHELL" != x; then -+ _as_can_reexec=no; export _as_can_reexec; -+ # We cannot yet assume a decent shell, so we have to provide a -+# neutralization value for shells without unset; and this also -+# works around shells that cannot unset nonexistent variables. -+# Preserve -v and -x to the replacement shell. -+BASH_ENV=/dev/null -+ENV=/dev/null -+(unset BASH_ENV) >/dev/null 2>&1 && unset BASH_ENV ENV -+case $- in # (((( -+ *v*x* | *x*v* ) as_opts=-vx ;; -+ *v* ) as_opts=-v ;; -+ *x* ) as_opts=-x ;; -+ * ) as_opts= ;; -+esac -+exec $CONFIG_SHELL $as_opts "$as_myself" ${1+"$@"} -+# Admittedly, this is quite paranoid, since all the known shells bail -+# out after a failed `exec'. -+$as_echo "$0: could not re-execute with $CONFIG_SHELL" >&2 -+as_fn_exit 255 -+ fi -+ # We don't want this to propagate to other subprocesses. -+ { _as_can_reexec=; unset _as_can_reexec;} - if test "x$CONFIG_SHELL" = x; then -- if (eval ":") 2>/dev/null; then -- as_have_required=yes -+ as_bourne_compatible="if test -n \"\${ZSH_VERSION+set}\" && (emulate sh) >/dev/null 2>&1; then : -+ emulate sh -+ NULLCMD=: -+ # Pre-4.2 versions of Zsh do word splitting on \${1+\"\$@\"}, which -+ # is contrary to our usage. Disable this feature. -+ alias -g '\${1+\"\$@\"}'='\"\$@\"' -+ setopt NO_GLOB_SUBST - else -- as_have_required=no -+ case \`(set -o) 2>/dev/null\` in #( -+ *posix*) : -+ set -o posix ;; #( -+ *) : -+ ;; -+esac - fi -- -- if test $as_have_required = yes && (eval ": --(as_func_return () { -- (exit \$1) --} --as_func_success () { -- as_func_return 0 --} --as_func_failure () { -- as_func_return 1 --} --as_func_ret_success () { -- return 0 --} --as_func_ret_failure () { -- return 1 --} -+" -+ as_required="as_fn_return () { (exit \$1); } -+as_fn_success () { as_fn_return 0; } -+as_fn_failure () { as_fn_return 1; } -+as_fn_ret_success () { return 0; } -+as_fn_ret_failure () { return 1; } - - exitcode=0 --if as_func_success; then -- : --else -- exitcode=1 -- echo as_func_success failed. --fi -- --if as_func_failure; then -- exitcode=1 -- echo as_func_failure succeeded. --fi -- --if as_func_ret_success; then -- : --else -- exitcode=1 -- echo as_func_ret_success failed. --fi -- --if as_func_ret_failure; then -- exitcode=1 -- echo as_func_ret_failure succeeded. --fi -- --if ( set x; as_func_ret_success y && test x = \"\$1\" ); then -- : -+as_fn_success || { exitcode=1; echo as_fn_success failed.; } -+as_fn_failure && { exitcode=1; echo as_fn_failure succeeded.; } -+as_fn_ret_success || { exitcode=1; echo as_fn_ret_success failed.; } -+as_fn_ret_failure && { exitcode=1; echo as_fn_ret_failure succeeded.; } -+if ( set x; as_fn_ret_success y && test x = \"\$1\" ); then : -+ -+else -+ exitcode=1; echo positional parameters were not saved. -+fi -+test x\$exitcode = x0 || exit 1 -+test -x / || exit 1" -+ as_suggested=" as_lineno_1=";as_suggested=$as_suggested$LINENO;as_suggested=$as_suggested" as_lineno_1a=\$LINENO -+ as_lineno_2=";as_suggested=$as_suggested$LINENO;as_suggested=$as_suggested" as_lineno_2a=\$LINENO -+ eval 'test \"x\$as_lineno_1'\$as_run'\" != \"x\$as_lineno_2'\$as_run'\" && -+ test \"x\`expr \$as_lineno_1'\$as_run' + 1\`\" = \"x\$as_lineno_2'\$as_run'\"' || exit 1 -+test \$(( 1 + 1 )) = 2 || exit 1" -+ if (eval "$as_required") 2>/dev/null; then : -+ as_have_required=yes - else -- exitcode=1 -- echo positional parameters were not saved. -+ as_have_required=no - fi -+ if test x$as_have_required = xyes && (eval "$as_suggested") 2>/dev/null; then : - --test \$exitcode = 0) || { (exit 1); exit 1; } -- --( -- as_lineno_1=\$LINENO -- as_lineno_2=\$LINENO -- test \"x\$as_lineno_1\" != \"x\$as_lineno_2\" && -- test \"x\`expr \$as_lineno_1 + 1\`\" = \"x\$as_lineno_2\") || { (exit 1); exit 1; } --") 2> /dev/null; then -- : - else -- as_candidate_shells= -- as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+ as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+as_found=false - for as_dir in /bin$PATH_SEPARATOR/usr/bin$PATH_SEPARATOR$PATH - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- case $as_dir in -+ as_found=: -+ case $as_dir in #( - /*) - for as_base in sh bash ksh sh5; do -- as_candidate_shells="$as_candidate_shells $as_dir/$as_base" -+ # Try only shells that exist, to save several forks. -+ as_shell=$as_dir/$as_base -+ if { test -f "$as_shell" || test -f "$as_shell.exe"; } && -+ { $as_echo "$as_bourne_compatible""$as_required" | as_run=a "$as_shell"; } 2>/dev/null; then : -+ CONFIG_SHELL=$as_shell as_have_required=yes -+ if { $as_echo "$as_bourne_compatible""$as_suggested" | as_run=a "$as_shell"; } 2>/dev/null; then : -+ break 2 -+fi -+fi - done;; - esac -+ as_found=false - done -+$as_found || { if { test -f "$SHELL" || test -f "$SHELL.exe"; } && -+ { $as_echo "$as_bourne_compatible""$as_required" | as_run=a "$SHELL"; } 2>/dev/null; then : -+ CONFIG_SHELL=$SHELL as_have_required=yes -+fi; } - IFS=$as_save_IFS - - -- for as_shell in $as_candidate_shells $SHELL; do -- # Try only shells that exist, to save several forks. -- if { test -f "$as_shell" || test -f "$as_shell.exe"; } && -- { ("$as_shell") 2> /dev/null <<\_ASEOF --if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then -- emulate sh -- NULLCMD=: -- # Pre-4.2 versions of Zsh do word splitting on ${1+"$@"}, which -- # is contrary to our usage. Disable this feature. -- alias -g '${1+"$@"}'='"$@"' -- setopt NO_GLOB_SUBST --else -- case `(set -o) 2>/dev/null` in -- *posix*) set -o posix ;; --esac -- --fi -- -- --: --_ASEOF --}; then -- CONFIG_SHELL=$as_shell -- as_have_required=yes -- if { "$as_shell" 2> /dev/null <<\_ASEOF --if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then -- emulate sh -- NULLCMD=: -- # Pre-4.2 versions of Zsh do word splitting on ${1+"$@"}, which -- # is contrary to our usage. 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Then install a modern shell, or manually run -+$0: the script under such a shell if you do have one." -+ fi -+ exit 1 - fi -- --test $exitcode = 0) || { (exit 1); exit 1; } -- --( -- as_lineno_1=$LINENO -- as_lineno_2=$LINENO -- test "x$as_lineno_1" != "x$as_lineno_2" && -- test "x`expr $as_lineno_1 + 1`" = "x$as_lineno_2") || { (exit 1); exit 1; } -- --_ASEOF --}; then -- break - fi -- - fi -+SHELL=${CONFIG_SHELL-/bin/sh} -+export SHELL -+# Unset more variables known to interfere with behavior of common tools. -+CLICOLOR_FORCE= GREP_OPTIONS= -+unset CLICOLOR_FORCE GREP_OPTIONS - -- done -+## --------------------- ## -+## M4sh Shell Functions. ## -+## --------------------- ## -+# as_fn_unset VAR -+# --------------- -+# Portably unset VAR. -+as_fn_unset () -+{ -+ { eval $1=; unset $1;} -+} -+as_unset=as_fn_unset - -- if test "x$CONFIG_SHELL" != x; then -- for as_var in BASH_ENV ENV -- do ($as_unset $as_var) >/dev/null 2>&1 && $as_unset $as_var -- done -- export CONFIG_SHELL -- exec "$CONFIG_SHELL" "$as_myself" ${1+"$@"} --fi -+# as_fn_set_status STATUS -+# ----------------------- -+# Set $? to STATUS, without forking. -+as_fn_set_status () -+{ -+ return $1 -+} # as_fn_set_status - -+# as_fn_exit STATUS -+# ----------------- -+# Exit the shell with STATUS, even in a "trap 0" or "set -e" context. -+as_fn_exit () -+{ -+ set +e -+ as_fn_set_status $1 -+ exit $1 -+} # as_fn_exit -+ -+# as_fn_mkdir_p -+# ------------- -+# Create "$as_dir" as a directory, including parents if necessary. -+as_fn_mkdir_p () -+{ - -- if test $as_have_required = no; then -- echo This script requires a shell more modern than all the -- echo shells that I found on your system. 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"cannot create directory $as_dir" - - --fi -+} # as_fn_mkdir_p - --fi -+# as_fn_executable_p FILE -+# ----------------------- -+# Test if FILE is an executable regular file. -+as_fn_executable_p () -+{ -+ test -f "$1" && test -x "$1" -+} # as_fn_executable_p -+# as_fn_append VAR VALUE -+# ---------------------- -+# Append the text in VALUE to the end of the definition contained in VAR. Take -+# advantage of any shell optimizations that allow amortized linear growth over -+# repeated appends, instead of the typical quadratic growth present in naive -+# implementations. -+if (eval "as_var=1; as_var+=2; test x\$as_var = x12") 2>/dev/null; then : -+ eval 'as_fn_append () -+ { -+ eval $1+=\$2 -+ }' -+else -+ as_fn_append () -+ { -+ eval $1=\$$1\$2 -+ } -+fi # as_fn_append - -+# as_fn_arith ARG... -+# ------------------ -+# Perform arithmetic evaluation on the ARGs, and store the result in the -+# global $as_val. Take advantage of shells that can avoid forks. The arguments -+# must be portable across $(()) and expr. -+if (eval "test \$(( 1 + 1 )) = 2") 2>/dev/null; then : -+ eval 'as_fn_arith () -+ { -+ as_val=$(( $* )) -+ }' -+else -+ as_fn_arith () -+ { -+ as_val=`expr "$@" || test $? -eq 1` -+ } -+fi # as_fn_arith - - --(eval "as_func_return () { -- (exit \$1) --} --as_func_success () { -- as_func_return 0 --} --as_func_failure () { -- as_func_return 1 --} --as_func_ret_success () { -- return 0 --} --as_func_ret_failure () { -- return 1 --} -+# as_fn_error STATUS ERROR [LINENO LOG_FD] -+# ---------------------------------------- -+# Output "`basename $0`: error: ERROR" to stderr. If LINENO and LOG_FD are -+# provided, also output the error to LOG_FD, referencing LINENO. Then exit the -+# script with STATUS, using 1 if that was 0. -+as_fn_error () -+{ -+ as_status=$1; test $as_status -eq 0 && as_status=1 -+ if test "$4"; then -+ as_lineno=${as_lineno-"$3"} as_lineno_stack=as_lineno_stack=$as_lineno_stack -+ $as_echo "$as_me:${as_lineno-$LINENO}: error: $2" >&$4 -+ fi -+ $as_echo "$as_me: error: $2" >&2 -+ as_fn_exit $as_status -+} # as_fn_error - --exitcode=0 --if as_func_success; then -- : -+if expr a : '\(a\)' >/dev/null 2>&1 && -+ test "X`expr 00001 : '.*\(...\)'`" = X001; then -+ as_expr=expr - else -- exitcode=1 -- echo as_func_success failed. --fi -- --if as_func_failure; then -- exitcode=1 -- echo as_func_failure succeeded. -+ as_expr=false - fi - --if as_func_ret_success; then -- : -+if (basename -- /) >/dev/null 2>&1 && test "X`basename -- / 2>&1`" = "X/"; then -+ as_basename=basename - else -- exitcode=1 -- echo as_func_ret_success failed. --fi -- --if as_func_ret_failure; then -- exitcode=1 -- echo as_func_ret_failure succeeded. -+ as_basename=false - fi - --if ( set x; as_func_ret_success y && test x = \"\$1\" ); then -- : -+if (as_dir=`dirname -- /` && test "X$as_dir" = X/) >/dev/null 2>&1; then -+ as_dirname=dirname - else -- exitcode=1 -- echo positional parameters were not saved. -+ as_dirname=false - fi - --test \$exitcode = 0") || { -- echo No shell found that supports shell functions. -- echo Please tell bug-autoconf@gnu.org about your system, -- echo including any error possibly output before this message. -- echo This can help us improve future autoconf versions. -- echo Configuration will now proceed without shell functions. --} -+as_me=`$as_basename -- "$0" || -+$as_expr X/"$0" : '.*/\([^/][^/]*\)/*$' \| \ -+ X"$0" : 'X\(//\)$' \| \ -+ X"$0" : 'X\(/\)' \| . 2>/dev/null || -+$as_echo X/"$0" | -+ sed '/^.*\/\([^/][^/]*\)\/*$/{ -+ s//\1/ -+ q -+ } -+ /^X\/\(\/\/\)$/{ -+ s//\1/ -+ q -+ } -+ /^X\/\(\/\).*/{ -+ s//\1/ -+ q -+ } -+ s/.*/./; q'` - -+# Avoid depending upon Character Ranges. -+as_cr_letters='abcdefghijklmnopqrstuvwxyz' -+as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ' -+as_cr_Letters=$as_cr_letters$as_cr_LETTERS -+as_cr_digits='0123456789' -+as_cr_alnum=$as_cr_Letters$as_cr_digits - - -- as_lineno_1=$LINENO -- as_lineno_2=$LINENO -- test "x$as_lineno_1" != "x$as_lineno_2" && -- test "x`expr $as_lineno_1 + 1`" = "x$as_lineno_2" || { -- -- # Create $as_me.lineno as a copy of $as_myself, but with $LINENO -- # uniformly replaced by the line number. The first 'sed' inserts a -- # line-number line after each line using $LINENO; the second 'sed' -- # does the real work. The second script uses 'N' to pair each -- # line-number line with the line containing $LINENO, and appends -- # trailing '-' during substitution so that $LINENO is not a special -- # case at line end. -- # (Raja R Harinath suggested sed '=', and Paul Eggert wrote the -- # scripts with optimization help from Paolo Bonzini. Blame Lee -- # E. McMahon (1931-1989) for sed's syntax. :-) -+ as_lineno_1=$LINENO as_lineno_1a=$LINENO -+ as_lineno_2=$LINENO as_lineno_2a=$LINENO -+ eval 'test "x$as_lineno_1'$as_run'" != "x$as_lineno_2'$as_run'" && -+ test "x`expr $as_lineno_1'$as_run' + 1`" = "x$as_lineno_2'$as_run'"' || { -+ # Blame Lee E. McMahon (1931-1989) for sed's syntax. :-) - sed -n ' - p - /[$]LINENO/= -@@ -471,9 +483,12 @@ - s/-\n.*// - ' >$as_me.lineno && - chmod +x "$as_me.lineno" || -- { $as_echo "$as_me: error: cannot create $as_me.lineno; rerun with a POSIX shell" >&2 -- { (exit 1); exit 1; }; } -+ { $as_echo "$as_me: error: cannot create $as_me.lineno; rerun with a POSIX shell" >&2; as_fn_exit 1; } - -+ # If we had to re-execute with $CONFIG_SHELL, we're ensured to have -+ # already done that, so ensure we don't try to do so again and fall -+ # in an infinite loop. This has already happened in practice. -+ _as_can_reexec=no; export _as_can_reexec - # Don't try to exec as it changes $[0], causing all sort of problems - # (the dirname of $[0] is not the place where we might find the - # original and so on. Autoconf is especially sensitive to this). -@@ -482,29 +497,18 @@ - exit - } - -- --if (as_dir=`dirname -- /` && test "X$as_dir" = X/) >/dev/null 2>&1; then -- as_dirname=dirname --else -- as_dirname=false --fi -- - ECHO_C= ECHO_N= ECHO_T= --case `echo -n x` in -+case `echo -n x` in #((((( - -n*) -- case `echo 'x\c'` in -+ case `echo 'xy\c'` in - *c*) ECHO_T=' ';; # ECHO_T is single tab character. -- *) ECHO_C='\c';; -+ xy) ECHO_C='\c';; -+ *) echo `echo ksh88 bug on AIX 6.1` > /dev/null -+ ECHO_T=' ';; - esac;; - *) - ECHO_N='-n';; - esac --if expr a : '\(a\)' >/dev/null 2>&1 && -- test "X`expr 00001 : '.*\(...\)'`" = X001; then -- as_expr=expr --else -- as_expr=false --fi - - rm -f conf$$ conf$$.exe conf$$.file - if test -d conf$$.dir; then -@@ -519,49 +523,29 @@ - # ... but there are two gotchas: - # 1) On MSYS, both `ln -s file dir' and `ln file dir' fail. - # 2) DJGPP < 2.04 has no symlinks; `ln -s' creates a wrapper executable. -- # In both cases, we have to default to `cp -p'. -+ # In both cases, we have to default to `cp -pR'. - ln -s conf$$.file conf$$.dir 2>/dev/null && test ! -f conf$$.exe || -- as_ln_s='cp -p' -+ as_ln_s='cp -pR' - elif ln conf$$.file conf$$ 2>/dev/null; then - as_ln_s=ln - else -- as_ln_s='cp -p' -+ as_ln_s='cp -pR' - fi - else -- as_ln_s='cp -p' -+ as_ln_s='cp -pR' - fi - rm -f conf$$ conf$$.exe conf$$.dir/conf$$.file conf$$.file - rmdir conf$$.dir 2>/dev/null - - if mkdir -p . 2>/dev/null; then -- as_mkdir_p=: -+ as_mkdir_p='mkdir -p "$as_dir"' - else - test -d ./-p && rmdir ./-p - as_mkdir_p=false - fi - --if test -x / >/dev/null 2>&1; then -- as_test_x='test -x' --else -- if ls -dL / >/dev/null 2>&1; then -- as_ls_L_option=L -- else -- as_ls_L_option= -- fi -- as_test_x=' -- eval sh -c '\'' -- if test -d "$1"; then -- test -d "$1/."; -- else -- case $1 in -- -*)set "./$1";; -- esac; -- case `ls -ld'$as_ls_L_option' "$1" 2>/dev/null` in -- ???[sx]*):;;*)false;;esac;fi -- '\'' sh -- ' --fi --as_executable_p=$as_test_x -+as_test_x='test -x' -+as_executable_p=as_fn_executable_p - - # Sed expression to map a string onto a valid CPP name. - as_tr_cpp="eval sed 'y%*$as_cr_letters%P$as_cr_LETTERS%;s%[^_$as_cr_alnum]%_%g'" -@@ -570,11 +554,11 @@ - as_tr_sh="eval sed 'y%*+%pp%;s%[^_$as_cr_alnum]%_%g'" - - -- --exec 7<&0 &1 -+test -n "$DJDIR" || exec 7<&0 &1 - - # Name of the host. --# hostname on some systems (SVR3.2, Linux) returns a bogus exit status, -+# hostname on some systems (SVR3.2, old GNU/Linux) returns a bogus exit status, - # so uname gets run too. - ac_hostname=`(hostname || uname -n) 2>/dev/null | sed 1q` - -@@ -589,7 +573,6 @@ - subdirs= - MFLAGS= - MAKEFLAGS= --SHELL=${CONFIG_SHELL-/bin/sh} - - # Identity of this package. - PACKAGE_NAME='ESPRESSO' -@@ -597,6 +580,7 @@ - PACKAGE_VERSION='5.3.0' - PACKAGE_STRING='ESPRESSO 5.3.0' - PACKAGE_BUGREPORT='' -+PACKAGE_URL='' - - # Factoring default headers for most tests. - ac_includes_default="\ -@@ -642,8 +626,11 @@ - iflags - fdflags - dflags -+hdf5_line - wget - ranlib -+cflags_c99 -+hdf5_libs - elpa_libs_switch - scalapack_line - scalapack_libs -@@ -661,6 +648,10 @@ - blas_libs_switch - blas_libs - FLIBS -+host_os -+host_vendor -+host_cpu -+host - f90rule - SET_MAKE - ldflags -@@ -733,6 +724,7 @@ - program_transform_name - prefix - exec_prefix -+PACKAGE_URL - PACKAGE_BUGREPORT - PACKAGE_STRING - PACKAGE_VERSION -@@ -753,6 +745,7 @@ - with_internal_lapack - with_scalapack - with_elpa -+with_hdf5 - enable_signals - ' - ac_precious_vars='build_alias -@@ -831,8 +824,9 @@ - fi - - case $ac_option in -- *=*) ac_optarg=`expr "X$ac_option" : '[^=]*=\(.*\)'` ;; -- *) ac_optarg=yes ;; -+ *=?*) ac_optarg=`expr "X$ac_option" : '[^=]*=\(.*\)'` ;; -+ *=) ac_optarg= ;; -+ *) ac_optarg=yes ;; - esac - - # Accept the important Cygnus configure options, so we can diagnose typos. -@@ -877,8 +871,7 @@ - ac_useropt=`expr "x$ac_option" : 'x-*disable-\(.*\)'` - # Reject names that are not valid shell variable names. - expr "x$ac_useropt" : ".*[^-+._$as_cr_alnum]" >/dev/null && -- { $as_echo "$as_me: error: invalid feature name: $ac_useropt" >&2 -- { (exit 1); exit 1; }; } -+ as_fn_error $? "invalid feature name: $ac_useropt" - ac_useropt_orig=$ac_useropt - ac_useropt=`$as_echo "$ac_useropt" | sed 's/[-+.]/_/g'` - case $ac_user_opts in -@@ -904,8 +897,7 @@ - ac_useropt=`expr "x$ac_option" : 'x-*enable-\([^=]*\)'` - # Reject names that are not valid shell variable names. - expr "x$ac_useropt" : ".*[^-+._$as_cr_alnum]" >/dev/null && -- { $as_echo "$as_me: error: invalid feature name: $ac_useropt" >&2 -- { (exit 1); exit 1; }; } -+ as_fn_error $? "invalid feature name: $ac_useropt" - ac_useropt_orig=$ac_useropt - ac_useropt=`$as_echo "$ac_useropt" | sed 's/[-+.]/_/g'` - case $ac_user_opts in -@@ -1109,8 +1101,7 @@ - ac_useropt=`expr "x$ac_option" : 'x-*with-\([^=]*\)'` - # Reject names that are not valid shell variable names. - expr "x$ac_useropt" : ".*[^-+._$as_cr_alnum]" >/dev/null && -- { $as_echo "$as_me: error: invalid package name: $ac_useropt" >&2 -- { (exit 1); exit 1; }; } -+ as_fn_error $? "invalid package name: $ac_useropt" - ac_useropt_orig=$ac_useropt - ac_useropt=`$as_echo "$ac_useropt" | sed 's/[-+.]/_/g'` - case $ac_user_opts in -@@ -1126,8 +1117,7 @@ - ac_useropt=`expr "x$ac_option" : 'x-*without-\(.*\)'` - # Reject names that are not valid shell variable names. - expr "x$ac_useropt" : ".*[^-+._$as_cr_alnum]" >/dev/null && -- { $as_echo "$as_me: error: invalid package name: $ac_useropt" >&2 -- { (exit 1); exit 1; }; } -+ as_fn_error $? "invalid package name: $ac_useropt" - ac_useropt_orig=$ac_useropt - ac_useropt=`$as_echo "$ac_useropt" | sed 's/[-+.]/_/g'` - case $ac_user_opts in -@@ -1157,17 +1147,17 @@ - | --x-librar=* | --x-libra=* | --x-libr=* | --x-lib=* | --x-li=* | --x-l=*) - x_libraries=$ac_optarg ;; - -- -*) { $as_echo "$as_me: error: unrecognized option: $ac_option --Try \`$0 --help' for more information." >&2 -- { (exit 1); exit 1; }; } -+ -*) as_fn_error $? "unrecognized option: \`$ac_option' -+Try \`$0 --help' for more information" - ;; - - *=*) - ac_envvar=`expr "x$ac_option" : 'x\([^=]*\)='` - # Reject names that are not valid shell variable names. -- expr "x$ac_envvar" : ".*[^_$as_cr_alnum]" >/dev/null && -- { $as_echo "$as_me: error: invalid variable name: $ac_envvar" >&2 -- { (exit 1); exit 1; }; } -+ case $ac_envvar in #( -+ '' | [0-9]* | *[!_$as_cr_alnum]* ) -+ as_fn_error $? "invalid variable name: \`$ac_envvar'" ;; -+ esac - eval $ac_envvar=\$ac_optarg - export $ac_envvar ;; - -@@ -1176,7 +1166,7 @@ - $as_echo "$as_me: WARNING: you should use --build, --host, --target" >&2 - expr "x$ac_option" : ".*[^-._$as_cr_alnum]" >/dev/null && - $as_echo "$as_me: WARNING: invalid host type: $ac_option" >&2 -- : ${build_alias=$ac_option} ${host_alias=$ac_option} ${target_alias=$ac_option} -+ : "${build_alias=$ac_option} ${host_alias=$ac_option} ${target_alias=$ac_option}" - ;; - - esac -@@ -1184,15 +1174,13 @@ - - if test -n "$ac_prev"; then - ac_option=--`echo $ac_prev | sed 's/_/-/g'` -- { $as_echo "$as_me: error: missing argument to $ac_option" >&2 -- { (exit 1); exit 1; }; } -+ as_fn_error $? "missing argument to $ac_option" - fi - - if test -n "$ac_unrecognized_opts"; then - case $enable_option_checking in - no) ;; -- fatal) { $as_echo "$as_me: error: unrecognized options: $ac_unrecognized_opts" >&2 -- { (exit 1); exit 1; }; } ;; -+ fatal) as_fn_error $? "unrecognized options: $ac_unrecognized_opts" ;; - *) $as_echo "$as_me: WARNING: unrecognized options: $ac_unrecognized_opts" >&2 ;; - esac - fi -@@ -1215,8 +1203,7 @@ - [\\/$]* | ?:[\\/]* ) continue;; - NONE | '' ) case $ac_var in *prefix ) continue;; esac;; - esac -- { $as_echo "$as_me: error: expected an absolute directory name for --$ac_var: $ac_val" >&2 -- { (exit 1); exit 1; }; } -+ as_fn_error $? "expected an absolute directory name for --$ac_var: $ac_val" - done - - # There might be people who depend on the old broken behavior: `$host' -@@ -1230,8 +1217,6 @@ - if test "x$host_alias" != x; then - if test "x$build_alias" = x; then - cross_compiling=maybe -- $as_echo "$as_me: WARNING: If you wanted to set the --build type, don't use --host. -- If a cross compiler is detected then cross compile mode will be used." >&2 - elif test "x$build_alias" != "x$host_alias"; then - cross_compiling=yes - fi -@@ -1246,11 +1231,9 @@ - ac_pwd=`pwd` && test -n "$ac_pwd" && - ac_ls_di=`ls -di .` && - ac_pwd_ls_di=`cd "$ac_pwd" && ls -di .` || -- { $as_echo "$as_me: error: working directory cannot be determined" >&2 -- { (exit 1); exit 1; }; } -+ as_fn_error $? "working directory cannot be determined" - test "X$ac_ls_di" = "X$ac_pwd_ls_di" || -- { $as_echo "$as_me: error: pwd does not report name of working directory" >&2 -- { (exit 1); exit 1; }; } -+ as_fn_error $? "pwd does not report name of working directory" - - - # Find the source files, if location was not specified. -@@ -1289,13 +1272,11 @@ - fi - if test ! -r "$srcdir/$ac_unique_file"; then - test "$ac_srcdir_defaulted" = yes && srcdir="$ac_confdir or .." -- { $as_echo "$as_me: error: cannot find sources ($ac_unique_file) in $srcdir" >&2 -- { (exit 1); exit 1; }; } -+ as_fn_error $? "cannot find sources ($ac_unique_file) in $srcdir" - fi - ac_msg="sources are in $srcdir, but \`cd $srcdir' does not work" - ac_abs_confdir=`( -- cd "$srcdir" && test -r "./$ac_unique_file" || { $as_echo "$as_me: error: $ac_msg" >&2 -- { (exit 1); exit 1; }; } -+ cd "$srcdir" && test -r "./$ac_unique_file" || as_fn_error $? "$ac_msg" - pwd)` - # When building in place, set srcdir=. - if test "$ac_abs_confdir" = "$ac_pwd"; then -@@ -1335,7 +1316,7 @@ - --help=short display options specific to this package - --help=recursive display the short help of all the included packages - -V, --version display version information and exit -- -q, --quiet, --silent do not print \`checking...' messages -+ -q, --quiet, --silent do not print \`checking ...' messages - --cache-file=FILE cache test results in FILE [disabled] - -C, --config-cache alias for \`--cache-file=config.cache' - -n, --no-create do not create output files -@@ -1380,6 +1361,7 @@ - - System types: - --build=BUILD configure for building on BUILD [guessed] -+ --host=HOST cross-compile to build programs to run on HOST [BUILD] - _ACEOF - fi - -@@ -1414,6 +1396,7 @@ - openMPI) - --with-elpa (yes|no|) Use ELPA. Self-compile or a - can be specified (default: no) -+ --with-hdf5 use hdf5 if available (default: yes) - - Some influential environment variables: - EXTLIB_FLAGS -@@ -1426,7 +1409,7 @@ - LIBS libraries to pass to the linker, e.g. -l - CC C compiler command - CFLAGS C compiler flags -- CPPFLAGS C/C++/Objective C preprocessor flags, e.g. -I if -+ CPPFLAGS (Objective) C/C++ preprocessor flags, e.g. -I if - you have headers in a nonstandard directory - CPP C preprocessor - F77 Fortran 77 compiler command -@@ -1435,6 +1418,7 @@ - Use these variables to override the choices made by `configure' or to help - it to find libraries and programs with nonstandard names/locations. - -+Report bugs to the package provider. - _ACEOF - ac_status=$? - fi -@@ -1498,311 +1482,960 @@ - if $ac_init_version; then - cat <<\_ACEOF - ESPRESSO configure 5.3.0 --generated by GNU Autoconf 2.63 -+generated by GNU Autoconf 2.69 - --Copyright (C) 1992, 1993, 1994, 1995, 1996, 1998, 1999, 2000, 2001, --2002, 2003, 2004, 2005, 2006, 2007, 2008 Free Software Foundation, Inc. -+Copyright (C) 2012 Free Software Foundation, Inc. - This configure script is free software; the Free Software Foundation - gives unlimited permission to copy, distribute and modify it. - _ACEOF - exit - fi --cat >config.log <<_ACEOF --This file contains any messages produced by compilers while --running configure, to aid debugging if configure makes a mistake. -- --It was created by ESPRESSO $as_me 5.3.0, which was --generated by GNU Autoconf 2.63. 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"./$cache_file";; -+ esac -+ fi -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: creating cache $cache_file" >&5 -+$as_echo "$as_me: creating cache $cache_file" >&6;} -+ >$cache_file -+fi -+ -+# Check that the precious variables saved in the cache have kept the same -+# value. -+ac_cache_corrupted=false -+for ac_var in $ac_precious_vars; do -+ eval ac_old_set=\$ac_cv_env_${ac_var}_set -+ eval ac_new_set=\$ac_env_${ac_var}_set -+ eval ac_old_val=\$ac_cv_env_${ac_var}_value - eval ac_new_val=\$ac_env_${ac_var}_value - case $ac_old_set,$ac_new_set in - set,) -- { $as_echo "$as_me:$LINENO: error: \`$ac_var' was set to \`$ac_old_val' in the previous run" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: error: \`$ac_var' was set to \`$ac_old_val' in the previous run" >&5 - $as_echo "$as_me: error: \`$ac_var' was set to \`$ac_old_val' in the previous run" >&2;} - ac_cache_corrupted=: ;; - ,set) -- { $as_echo "$as_me:$LINENO: error: \`$ac_var' was not set in the previous run" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: error: \`$ac_var' was not set in the previous run" >&5 - $as_echo "$as_me: error: \`$ac_var' was not set in the previous run" >&2;} - ac_cache_corrupted=: ;; - ,);; -@@ -1812,17 +2445,17 @@ - ac_old_val_w=`echo x $ac_old_val` - ac_new_val_w=`echo x $ac_new_val` - if test "$ac_old_val_w" != "$ac_new_val_w"; then -- { $as_echo "$as_me:$LINENO: error: \`$ac_var' has changed since the previous run:" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: error: \`$ac_var' has changed since the previous run:" >&5 - $as_echo "$as_me: error: \`$ac_var' has changed since the previous run:" >&2;} - ac_cache_corrupted=: - else -- { $as_echo "$as_me:$LINENO: warning: ignoring whitespace changes in \`$ac_var' since the previous run:" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: warning: ignoring whitespace changes in \`$ac_var' since the previous run:" >&5 - $as_echo "$as_me: warning: ignoring whitespace changes in \`$ac_var' since the previous run:" >&2;} - eval $ac_var=\$ac_old_val - fi -- { $as_echo "$as_me:$LINENO: former value: \`$ac_old_val'" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: former value: \`$ac_old_val'" >&5 - $as_echo "$as_me: former value: \`$ac_old_val'" >&2;} -- { $as_echo "$as_me:$LINENO: current value: \`$ac_new_val'" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: current value: \`$ac_new_val'" >&5 - $as_echo "$as_me: current value: \`$ac_new_val'" >&2;} - fi;; - esac -@@ -1834,43 +2467,20 @@ - esac - case " $ac_configure_args " in - *" '$ac_arg' "*) ;; # Avoid dups. Use of quotes ensures accuracy. -- *) ac_configure_args="$ac_configure_args '$ac_arg'" ;; -+ *) as_fn_append ac_configure_args " '$ac_arg'" ;; - esac - fi - done - if $ac_cache_corrupted; then -- { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 - $as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -- { $as_echo "$as_me:$LINENO: error: changes in the environment can compromise the build" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: error: changes in the environment can compromise the build" >&5 - $as_echo "$as_me: error: changes in the environment can compromise the build" >&2;} -- { { $as_echo "$as_me:$LINENO: error: run \`make distclean' and/or \`rm $cache_file' and start over" >&5 --$as_echo "$as_me: error: run \`make distclean' and/or \`rm $cache_file' and start over" >&2;} -- { (exit 1); exit 1; }; } -+ as_fn_error $? "run \`make distclean' and/or \`rm $cache_file' and start over" "$LINENO" 5 - fi -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -+## -------------------- ## -+## Main body of script. ## -+## -------------------- ## - - ac_ext=c - ac_cpp='$CPP $CPPFLAGS' -@@ -1923,6 +2533,7 @@ - scalapack_libs=$SCALAPACK_LIBS # scalapack libs - scalapack_dir=$SCALAPACK_LIB # Where to look for scalapack libs - blacs_dir=$BLACS_LIB # Where to look for libblacs.a -+hdf5_dir=$HDF5_DIR # Where to look for HDF5 - ar=$AR # ar (shouldn't be needed) - arflags=$ARFLAGS # Flags for ar (as above) - extlib_flags=$EXTLIB_FLAGS # Flags for internal copies of lapack and blas -@@ -1951,9 +2562,7 @@ - fi - done - if test -z "$ac_aux_dir"; then -- { { $as_echo "$as_me:$LINENO: error: cannot find install-sh or install.sh in \"$srcdir\" \"$srcdir/..\" \"$srcdir/../..\"" >&5 --$as_echo "$as_me: error: cannot find install-sh or install.sh in \"$srcdir\" \"$srcdir/..\" \"$srcdir/../..\"" >&2;} -- { (exit 1); exit 1; }; } -+ as_fn_error $? "cannot find install-sh, install.sh, or shtool in \"$srcdir\" \"$srcdir/..\" \"$srcdir/../..\"" "$LINENO" 5 - fi - - # These three variables are undocumented and unsupported, -@@ -1967,35 +2576,27 @@ - - # Make sure we can run config.sub. - $SHELL "$ac_aux_dir/config.sub" sun4 >/dev/null 2>&1 || -- { { $as_echo "$as_me:$LINENO: error: cannot run $SHELL $ac_aux_dir/config.sub" >&5 --$as_echo "$as_me: error: cannot run $SHELL $ac_aux_dir/config.sub" >&2;} -- { (exit 1); exit 1; }; } -+ as_fn_error $? "cannot run $SHELL $ac_aux_dir/config.sub" "$LINENO" 5 - --{ $as_echo "$as_me:$LINENO: checking build system type" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking build system type" >&5 - $as_echo_n "checking build system type... " >&6; } --if test "${ac_cv_build+set}" = set; then -+if ${ac_cv_build+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_build_alias=$build_alias - test "x$ac_build_alias" = x && - ac_build_alias=`$SHELL "$ac_aux_dir/config.guess"` - test "x$ac_build_alias" = x && -- { { $as_echo "$as_me:$LINENO: error: cannot guess build type; you must specify one" >&5 --$as_echo "$as_me: error: cannot guess build type; you must specify one" >&2;} -- { (exit 1); exit 1; }; } -+ as_fn_error $? "cannot guess build type; you must specify one" "$LINENO" 5 - ac_cv_build=`$SHELL "$ac_aux_dir/config.sub" $ac_build_alias` || -- { { $as_echo "$as_me:$LINENO: error: $SHELL $ac_aux_dir/config.sub $ac_build_alias failed" >&5 --$as_echo "$as_me: error: $SHELL $ac_aux_dir/config.sub $ac_build_alias failed" >&2;} -- { (exit 1); exit 1; }; } -+ as_fn_error $? "$SHELL $ac_aux_dir/config.sub $ac_build_alias failed" "$LINENO" 5 - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_build" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_build" >&5 - $as_echo "$ac_cv_build" >&6; } - case $ac_cv_build in - *-*-*) ;; --*) { { $as_echo "$as_me:$LINENO: error: invalid value of canonical build" >&5 --$as_echo "$as_me: error: invalid value of canonical build" >&2;} -- { (exit 1); exit 1; }; };; -+*) as_fn_error $? "invalid value of canonical build" "$LINENO" 5;; - esac - build=$ac_cv_build - ac_save_IFS=$IFS; IFS='-' -@@ -2015,7 +2616,7 @@ - # Checking Architecture... - - -- { $as_echo "$as_me:$LINENO: checking ARCH" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking ARCH" >&5 - $as_echo_n "checking ARCH... " >&6; } - - # many HPC systems are configured so that running parallel programs -@@ -2048,7 +2649,7 @@ - powerpc64-*-linux-gnu ) arch=ppc64 ;; - *-*-mingw32 ) arch=mingw32;; - *-*-mingw64 ) arch=mingw64;; -- * ) { $as_echo "$as_me:$LINENO: WARNING: Unrecognized build architecture" >&5 -+ * ) { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: Unrecognized build architecture" >&5 - $as_echo "$as_me: WARNING: Unrecognized build architecture" >&2;} - ;; - esac -@@ -2059,7 +2660,7 @@ - test -f /bgsys/drivers/ppcfloor/bin/runjob && arch=ppc64-bgq - fi - -- { $as_echo "$as_me:$LINENO: result: ${arch}" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${arch}" >&5 - $as_echo "${arch}" >&6; } - - -@@ -2078,17 +2679,17 @@ - try_ar="ar" - try_arflags="ruv" - -- { $as_echo "$as_me:$LINENO: checking setting AR... " >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking setting AR... " >&5 - $as_echo_n "checking setting AR... ... " >&6; } - if test "$arch" = "necsx"; then - try_ar="sxar" - fi - if test "$ar" = "" ; then ar="$try_ar" ; fi -- { $as_echo "$as_me:$LINENO: result: ${ar}" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${ar}" >&5 - $as_echo "${ar}" >&6; } - - -- { $as_echo "$as_me:$LINENO: checking setting ARFLAGS... " >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking setting ARFLAGS... " >&5 - $as_echo_n "checking setting ARFLAGS... ... " >&6; } - case $arch in - aix ) -@@ -2103,7 +2704,7 @@ - ;; - esac - if test "$arflags" = "" ; then arflags="$try_arflags" ; fi -- { $as_echo "$as_me:$LINENO: result: ${arflags}" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${arflags}" >&5 - $as_echo "${arflags}" >&6; } - - -@@ -2111,11 +2712,221 @@ - - - # Checking MPIF90... -+ac_ext=${ac_fc_srcext-f} -+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5' -+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_fc_compiler_gnu -+if test -n "$ac_tool_prefix"; then -+ for ac_prog in gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor xlf90 f90 pgf90 pghpf epcf90 g77 xlf f77 frt pgf77 cf77 fort77 fl32 af77 -+ do -+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. -+set dummy $ac_tool_prefix$ac_prog; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if ${ac_cv_prog_FC+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$FC"; then -+ ac_cv_prog_FC="$FC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then -+ ac_cv_prog_FC="$ac_tool_prefix$ac_prog" -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+ done -+IFS=$as_save_IFS -+ -+fi -+fi -+FC=$ac_cv_prog_FC -+if test -n "$FC"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $FC" >&5 -+$as_echo "$FC" >&6; } -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$FC" && break -+ done -+fi -+if test -z "$FC"; then -+ ac_ct_FC=$FC -+ for ac_prog in gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor xlf90 f90 pgf90 pghpf epcf90 g77 xlf f77 frt pgf77 cf77 fort77 fl32 af77 -+do -+ # Extract the first word of "$ac_prog", so it can be a program name with args. -+set dummy $ac_prog; ac_word=$2 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if ${ac_cv_prog_ac_ct_FC+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$ac_ct_FC"; then -+ ac_cv_prog_ac_ct_FC="$ac_ct_FC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then -+ ac_cv_prog_ac_ct_FC="$ac_prog" -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+ done -+IFS=$as_save_IFS -+ -+fi -+fi -+ac_ct_FC=$ac_cv_prog_ac_ct_FC -+if test -n "$ac_ct_FC"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_FC" >&5 -+$as_echo "$ac_ct_FC" >&6; } -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$ac_ct_FC" && break -+done -+ -+ if test "x$ac_ct_FC" = x; then -+ FC="" -+ else -+ case $cross_compiling:$ac_tool_warned in -+yes:) -+{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 -+$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} -+ac_tool_warned=yes ;; -+esac -+ FC=$ac_ct_FC -+ fi -+fi -+ -+ -+# Provide some information about the compiler. -+$as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran compiler version" >&5 -+set X $ac_compile -+ac_compiler=$2 -+for ac_option in --version -v -V -qversion; do -+ { { ac_try="$ac_compiler $ac_option >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_compiler $ac_option >&5") 2>conftest.err -+ ac_status=$? -+ if test -s conftest.err; then -+ sed '10a\ -+... rest of stderr output deleted ... -+ 10q' conftest.err >conftest.er1 -+ cat conftest.er1 >&5 -+ fi -+ rm -f conftest.er1 conftest.err -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; } -+done -+rm -f a.out -+ -+# If we don't use `.F' as extension, the preprocessor is not run on the -+# input file. (Note that this only needs to work for GNU compilers.) -+ac_save_ext=$ac_ext -+ac_ext=F -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU Fortran compiler" >&5 -+$as_echo_n "checking whether we are using the GNU Fortran compiler... " >&6; } -+if ${ac_cv_fc_compiler_gnu+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ cat > conftest.$ac_ext <<_ACEOF -+ program main -+#ifndef __GNUC__ -+ choke me -+#endif -+ -+ end -+_ACEOF -+if ac_fn_fc_try_compile "$LINENO"; then : -+ ac_compiler_gnu=yes -+else -+ ac_compiler_gnu=no -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ac_cv_fc_compiler_gnu=$ac_compiler_gnu -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_fc_compiler_gnu" >&5 -+$as_echo "$ac_cv_fc_compiler_gnu" >&6; } -+ac_ext=$ac_save_ext -+ac_test_FCFLAGS=${FCFLAGS+set} -+ac_save_FCFLAGS=$FCFLAGS -+FCFLAGS= -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $FC accepts -g" >&5 -+$as_echo_n "checking whether $FC accepts -g... " >&6; } -+if ${ac_cv_prog_fc_g+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ FCFLAGS=-g -+cat > conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+if ac_fn_fc_try_compile "$LINENO"; then : -+ ac_cv_prog_fc_g=yes -+else -+ ac_cv_prog_fc_g=no -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_fc_g" >&5 -+$as_echo "$ac_cv_prog_fc_g" >&6; } -+if test "$ac_test_FCFLAGS" = set; then -+ FCFLAGS=$ac_save_FCFLAGS -+elif test $ac_cv_prog_fc_g = yes; then -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-g -O2" -+ else -+ FCFLAGS="-g" -+ fi -+else -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-O2" -+ else -+ FCFLAGS= -+ fi -+fi -+ -+if test $ac_compiler_gnu = yes; then -+ GFC=yes -+else -+ GFC= -+fi -+ac_ext=${ac_fc_srcext-f} -+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5' -+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_fc_compiler_gnu -+ - - - - # Check whether --enable-parallel was given. --if test "${enable_parallel+set}" = set; then -+if test "${enable_parallel+set}" = set; then : - enableval=$enable_parallel; set_use_parallel=1 - if test "$enableval" = "yes" ; then - use_parallel=1 -@@ -2201,7 +3012,7 @@ - try_dflags="-D__XLF" - ;; - * ) -- { $as_echo "$as_me:$LINENO: WARNING: $arch : unsupported architecture?" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: $arch : unsupported architecture?" >&5 - $as_echo "$as_me: WARNING: $arch : unsupported architecture?" >&2;} - ;; - esac -@@ -2224,9 +3035,9 @@ - do - # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. - set dummy $ac_tool_prefix$ac_prog; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 - $as_echo_n "checking for $ac_word... " >&6; } --if test "${ac_cv_prog_FC+set}" = set; then -+if ${ac_cv_prog_FC+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test -n "$FC"; then -@@ -2237,24 +3048,24 @@ - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then - ac_cv_prog_FC="$ac_tool_prefix$ac_prog" -- $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi - done --done -+ done - IFS=$as_save_IFS - - fi - fi - FC=$ac_cv_prog_FC - if test -n "$FC"; then -- { $as_echo "$as_me:$LINENO: result: $FC" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $FC" >&5 - $as_echo "$FC" >&6; } - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - fi - -@@ -2268,9 +3079,9 @@ - do - # Extract the first word of "$ac_prog", so it can be a program name with args. - set dummy $ac_prog; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 - $as_echo_n "checking for $ac_word... " >&6; } --if test "${ac_cv_prog_ac_ct_FC+set}" = set; then -+if ${ac_cv_prog_ac_ct_FC+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test -n "$ac_ct_FC"; then -@@ -2281,24 +3092,24 @@ - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then - ac_cv_prog_ac_ct_FC="$ac_prog" -- $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi - done --done -+ done - IFS=$as_save_IFS - - fi - fi - ac_ct_FC=$ac_cv_prog_ac_ct_FC - if test -n "$ac_ct_FC"; then -- { $as_echo "$as_me:$LINENO: result: $ac_ct_FC" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_FC" >&5 - $as_echo "$ac_ct_FC" >&6; } - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - fi - -@@ -2311,7 +3122,7 @@ - else - case $cross_compiling:$ac_tool_warned in - yes:) --{ $as_echo "$as_me:$LINENO: WARNING: using cross tools not prefixed with host triplet" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 - $as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} - ac_tool_warned=yes ;; - esac -@@ -2321,45 +3132,32 @@ - - - # Provide some information about the compiler. --$as_echo "$as_me:$LINENO: checking for Fortran compiler version" >&5 -+$as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran compiler version" >&5 - set X $ac_compile - ac_compiler=$2 --{ (ac_try="$ac_compiler --version >&5" -+for ac_option in --version -v -V -qversion; do -+ { { ac_try="$ac_compiler $ac_option >&5" - case "(($ac_try" in - *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; - *) ac_try_echo=$ac_try;; - esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler --version >&5") 2>&5 -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_compiler $ac_option >&5") 2>conftest.err - ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } --{ (ac_try="$ac_compiler -v >&5" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler -v >&5") 2>&5 -- ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } --{ (ac_try="$ac_compiler -V >&5" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler -V >&5") 2>&5 -- ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } -+ if test -s conftest.err; then -+ sed '10a\ -+... rest of stderr output deleted ... -+ 10q' conftest.err >conftest.er1 -+ cat conftest.er1 >&5 -+ fi -+ rm -f conftest.er1 conftest.err -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; } -+done - rm -f a.out - --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - - end -@@ -2369,8 +3167,8 @@ - # Try to create an executable without -o first, disregard a.out. - # It will help us diagnose broken compilers, and finding out an intuition - # of exeext. --{ $as_echo "$as_me:$LINENO: checking for Fortran compiler default output file name" >&5 --$as_echo_n "checking for Fortran compiler default output file name... " >&6; } -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether the Fortran compiler works" >&5 -+$as_echo_n "checking whether the Fortran compiler works... " >&6; } - ac_link_default=`$as_echo "$ac_link" | sed 's/ -o *conftest[^ ]*//'` - - # The possible output files: -@@ -2386,17 +3184,17 @@ - done - rm -f $ac_rmfiles - --if { (ac_try="$ac_link_default" -+if { { ac_try="$ac_link_default" - case "(($ac_try" in - *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; - *) ac_try_echo=$ac_try;; - esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 - (eval "$ac_link_default") 2>&5 - ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); }; then -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; }; then : - # Autoconf-2.13 could set the ac_cv_exeext variable to `no'. - # So ignore a value of `no', otherwise this would lead to `EXEEXT = no' - # in a Makefile. We should not override ac_cv_exeext if it was cached, -@@ -2413,7 +3211,7 @@ - # certainly right. - break;; - *.* ) -- if test "${ac_cv_exeext+set}" = set && test "$ac_cv_exeext" != no; -+ if test "${ac_cv_exeext+set}" = set && test "$ac_cv_exeext" != no; - then :; else - ac_cv_exeext=`expr "$ac_file" : '[^.]*\(\..*\)'` - fi -@@ -2432,84 +3230,41 @@ - else - ac_file='' - fi -- --{ $as_echo "$as_me:$LINENO: result: $ac_file" >&5 --$as_echo "$ac_file" >&6; } --if test -z "$ac_file"; then -- $as_echo "$as_me: failed program was:" >&5 -+if test -z "$ac_file"; then : -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 -+$as_echo "no" >&6; } -+$as_echo "$as_me: failed program was:" >&5 - sed 's/^/| /' conftest.$ac_ext >&5 - --{ { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+{ { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 - $as_echo "$as_me: error: in \`$ac_pwd':" >&2;} --{ { $as_echo "$as_me:$LINENO: error: Fortran compiler cannot create executables --See \`config.log' for more details." >&5 --$as_echo "$as_me: error: Fortran compiler cannot create executables --See \`config.log' for more details." >&2;} -- { (exit 77); exit 77; }; }; } -+as_fn_error 77 "Fortran compiler cannot create executables -+See \`config.log' for more details" "$LINENO" 5; } -+else -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: yes" >&5 -+$as_echo "yes" >&6; } - fi -- -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran compiler default output file name" >&5 -+$as_echo_n "checking for Fortran compiler default output file name... " >&6; } -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_file" >&5 -+$as_echo "$ac_file" >&6; } - ac_exeext=$ac_cv_exeext - --# Check that the compiler produces executables we can run. If not, either --# the compiler is broken, or we cross compile. --{ $as_echo "$as_me:$LINENO: checking whether the Fortran compiler works" >&5 --$as_echo_n "checking whether the Fortran compiler works... " >&6; } --# FIXME: These cross compiler hacks should be removed for Autoconf 3.0 --# If not cross compiling, check that we can run a simple program. --if test "$cross_compiling" != yes; then -- if { ac_try='./$ac_file' -- { (case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_try") 2>&5 -- ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); }; }; then -- cross_compiling=no -- else -- if test "$cross_compiling" = maybe; then -- cross_compiling=yes -- else -- { { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 --$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} --{ { $as_echo "$as_me:$LINENO: error: cannot run Fortran compiled programs. --If you meant to cross compile, use \`--host'. --See \`config.log' for more details." >&5 --$as_echo "$as_me: error: cannot run Fortran compiled programs. --If you meant to cross compile, use \`--host'. --See \`config.log' for more details." >&2;} -- { (exit 1); exit 1; }; }; } -- fi -- fi --fi --{ $as_echo "$as_me:$LINENO: result: yes" >&5 --$as_echo "yes" >&6; } -- - rm -f -r a.out a.out.dSYM a.exe conftest$ac_cv_exeext b.out - ac_clean_files=$ac_clean_files_save --# Check that the compiler produces executables we can run. If not, either --# the compiler is broken, or we cross compile. --{ $as_echo "$as_me:$LINENO: checking whether we are cross compiling" >&5 --$as_echo_n "checking whether we are cross compiling... " >&6; } --{ $as_echo "$as_me:$LINENO: result: $cross_compiling" >&5 --$as_echo "$cross_compiling" >&6; } -- --{ $as_echo "$as_me:$LINENO: checking for suffix of executables" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for suffix of executables" >&5 - $as_echo_n "checking for suffix of executables... " >&6; } --if { (ac_try="$ac_link" -+if { { ac_try="$ac_link" - case "(($ac_try" in - *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; - *) ac_try_echo=$ac_try;; - esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 - (eval "$ac_link") 2>&5 - ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); }; then -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; }; then : - # If both `conftest.exe' and `conftest' are `present' (well, observable) - # catch `conftest.exe'. For instance with Cygwin, `ls conftest' will - # work properly (i.e., refer to `conftest.exe'), while it won't with -@@ -2524,46 +3279,95 @@ - esac - done - else -- { { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+ { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 - $as_echo "$as_me: error: in \`$ac_pwd':" >&2;} --{ { $as_echo "$as_me:$LINENO: error: cannot compute suffix of executables: cannot compile and link --See \`config.log' for more details." >&5 --$as_echo "$as_me: error: cannot compute suffix of executables: cannot compile and link --See \`config.log' for more details." >&2;} -- { (exit 1); exit 1; }; }; } -+as_fn_error $? "cannot compute suffix of executables: cannot compile and link -+See \`config.log' for more details" "$LINENO" 5; } - fi -- --rm -f conftest$ac_cv_exeext --{ $as_echo "$as_me:$LINENO: result: $ac_cv_exeext" >&5 -+rm -f conftest conftest$ac_cv_exeext -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_exeext" >&5 - $as_echo "$ac_cv_exeext" >&6; } - - rm -f conftest.$ac_ext - EXEEXT=$ac_cv_exeext - ac_exeext=$EXEEXT --{ $as_echo "$as_me:$LINENO: checking for suffix of object files" >&5 --$as_echo_n "checking for suffix of object files... " >&6; } --if test "${ac_cv_objext+set}" = set; then -- $as_echo_n "(cached) " >&6 --else -- cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main -+ open(unit=9,file='conftest.out') -+ close(unit=9) - - end - _ACEOF --rm -f conftest.o conftest.obj --if { (ac_try="$ac_compile" -+ac_clean_files="$ac_clean_files conftest.out" -+# Check that the compiler produces executables we can run. If not, either -+# the compiler is broken, or we cross compile. -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are cross compiling" >&5 -+$as_echo_n "checking whether we are cross compiling... " >&6; } -+if test "$cross_compiling" != yes; then -+ { { ac_try="$ac_link" - case "(($ac_try" in - *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; - *) ac_try_echo=$ac_try;; - esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>&5 -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_link") 2>&5 - ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); }; then -- for ac_file in conftest.o conftest.obj conftest.*; do -- test -f "$ac_file" || continue; -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; } -+ if { ac_try='./conftest$ac_cv_exeext' -+ { { case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_try") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; }; }; then -+ cross_compiling=no -+ else -+ if test "$cross_compiling" = maybe; then -+ cross_compiling=yes -+ else -+ { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+as_fn_error $? "cannot run Fortran compiled programs. -+If you meant to cross compile, use \`--host'. -+See \`config.log' for more details" "$LINENO" 5; } -+ fi -+ fi -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $cross_compiling" >&5 -+$as_echo "$cross_compiling" >&6; } -+ -+rm -f conftest.$ac_ext conftest$ac_cv_exeext conftest.out -+ac_clean_files=$ac_clean_files_save -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for suffix of object files" >&5 -+$as_echo_n "checking for suffix of object files... " >&6; } -+if ${ac_cv_objext+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ cat > conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+rm -f conftest.o conftest.obj -+if { { ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_compile") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; }; then : -+ for ac_file in conftest.o conftest.obj conftest.*; do -+ test -f "$ac_file" || continue; - case $ac_file in - *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg | *.map | *.inf | *.dSYM ) ;; - *) ac_cv_objext=`expr "$ac_file" : '.*\.\(.*\)'` -@@ -2574,18 +3378,14 @@ - $as_echo "$as_me: failed program was:" >&5 - sed 's/^/| /' conftest.$ac_ext >&5 - --{ { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+{ { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 - $as_echo "$as_me: error: in \`$ac_pwd':" >&2;} --{ { $as_echo "$as_me:$LINENO: error: cannot compute suffix of object files: cannot compile --See \`config.log' for more details." >&5 --$as_echo "$as_me: error: cannot compute suffix of object files: cannot compile --See \`config.log' for more details." >&2;} -- { (exit 1); exit 1; }; }; } -+as_fn_error $? "cannot compute suffix of object files: cannot compile -+See \`config.log' for more details" "$LINENO" 5; } - fi -- - rm -f conftest.$ac_cv_objext conftest.$ac_ext - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_objext" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_objext" >&5 - $as_echo "$ac_cv_objext" >&6; } - OBJEXT=$ac_cv_objext - ac_objext=$OBJEXT -@@ -2593,12 +3393,12 @@ - # input file. (Note that this only needs to work for GNU compilers.) - ac_save_ext=$ac_ext - ac_ext=F --{ $as_echo "$as_me:$LINENO: checking whether we are using the GNU Fortran compiler" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU Fortran compiler" >&5 - $as_echo_n "checking whether we are using the GNU Fortran compiler... " >&6; } --if test "${ac_cv_fc_compiler_gnu+set}" = set; then -+if ${ac_cv_fc_compiler_gnu+:} false; then : - $as_echo_n "(cached) " >&6 - else -- cat >conftest.$ac_ext <<_ACEOF -+ cat > conftest.$ac_ext <<_ACEOF - program main - #ifndef __GNUC__ - choke me -@@ -2606,86 +3406,44 @@ - - end - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_fc_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -+if ac_fn_fc_try_compile "$LINENO"; then : - ac_compiler_gnu=yes - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- ac_compiler_gnu=no -+ ac_compiler_gnu=no - fi -- - rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - ac_cv_fc_compiler_gnu=$ac_compiler_gnu - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_fc_compiler_gnu" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_fc_compiler_gnu" >&5 - $as_echo "$ac_cv_fc_compiler_gnu" >&6; } - ac_ext=$ac_save_ext --ac_test_FFLAGS=${FCFLAGS+set} --ac_save_FFLAGS=$FCFLAGS -+ac_test_FCFLAGS=${FCFLAGS+set} -+ac_save_FCFLAGS=$FCFLAGS - FCFLAGS= --{ $as_echo "$as_me:$LINENO: checking whether $FC accepts -g" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $FC accepts -g" >&5 - $as_echo_n "checking whether $FC accepts -g... " >&6; } --if test "${ac_cv_prog_fc_g+set}" = set; then -+if ${ac_cv_prog_fc_g+:} false; then : - $as_echo_n "(cached) " >&6 - else - FCFLAGS=-g --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - - end - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_fc_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -+if ac_fn_fc_try_compile "$LINENO"; then : - ac_cv_prog_fc_g=yes - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- ac_cv_prog_fc_g=no -+ ac_cv_prog_fc_g=no - fi -- - rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_prog_fc_g" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_fc_g" >&5 - $as_echo "$ac_cv_prog_fc_g" >&6; } --if test "$ac_test_FFLAGS" = set; then -- FCFLAGS=$ac_save_FFLAGS -+if test "$ac_test_FCFLAGS" = set; then -+ FCFLAGS=$ac_save_FCFLAGS - elif test $ac_cv_prog_fc_g = yes; then - if test "x$ac_cv_fc_compiler_gnu" = xyes; then - FCFLAGS="-g -O2" -@@ -2700,6 +3458,11 @@ - fi - fi - -+if test $ac_compiler_gnu = yes; then -+ GFC=yes -+else -+ GFC= -+fi - ac_ext=c - ac_cpp='$CPP $CPPFLAGS' - ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -@@ -2711,60 +3474,39 @@ - ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5' - ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5' - ac_compiler_gnu=$ac_cv_fc_compiler_gnu --{ $as_echo "$as_me:$LINENO: checking for Fortran flag to compile .f90 files" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran flag to compile .f90 files" >&5 - $as_echo_n "checking for Fortran flag to compile .f90 files... " >&6; } --if test "${ac_cv_fc_srcext_f90+set}" = set; then -+if ${ac_cv_fc_srcext_f90+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_ext=f90 - ac_fcflags_srcext_save=$ac_fcflags_srcext - ac_fcflags_srcext= - ac_cv_fc_srcext_f90=unknown --for ac_flag in none -qsuffix=f=f90 -Tf; do -+case $ac_ext in #( -+ [fF]77) ac_try=f77;; #( -+ *) ac_try=f95;; -+esac -+for ac_flag in none -qsuffix=f=f90 -Tf "-x $ac_try"; do - test "x$ac_flag" != xnone && ac_fcflags_srcext="$ac_flag" -- cat >conftest.$ac_ext <<_ACEOF -+ cat > conftest.$ac_ext <<_ACEOF - program main - - end - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_fc_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -+if ac_fn_fc_try_compile "$LINENO"; then : - ac_cv_fc_srcext_f90=$ac_flag; break --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- - rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - done - rm -f conftest.$ac_objext conftest.f90 - ac_fcflags_srcext=$ac_fcflags_srcext_save - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_fc_srcext_f90" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_fc_srcext_f90" >&5 - $as_echo "$ac_cv_fc_srcext_f90" >&6; } - if test "x$ac_cv_fc_srcext_f90" = xunknown; then -- { { $as_echo "$as_me:$LINENO: error: Fortran could not compile .f90 files" >&5 --$as_echo "$as_me: error: Fortran could not compile .f90 files" >&2;} -- { (exit 1); exit 1; }; } -+ as_fn_error $? "Fortran could not compile .f90 files" "$LINENO" 5 - else - ac_fc_srcext=f90 - if test "x$ac_cv_fc_srcext_f90" = xnone; then -@@ -2802,9 +3544,9 @@ - do - # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. - set dummy $ac_tool_prefix$ac_prog; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 - $as_echo_n "checking for $ac_word... " >&6; } --if test "${ac_cv_prog_FC+set}" = set; then -+if ${ac_cv_prog_FC+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test -n "$FC"; then -@@ -2815,24 +3557,24 @@ - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then - ac_cv_prog_FC="$ac_tool_prefix$ac_prog" -- $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi - done --done -+ done - IFS=$as_save_IFS - - fi - fi - FC=$ac_cv_prog_FC - if test -n "$FC"; then -- { $as_echo "$as_me:$LINENO: result: $FC" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $FC" >&5 - $as_echo "$FC" >&6; } - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - fi - -@@ -2846,9 +3588,9 @@ - do - # Extract the first word of "$ac_prog", so it can be a program name with args. - set dummy $ac_prog; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 - $as_echo_n "checking for $ac_word... " >&6; } --if test "${ac_cv_prog_ac_ct_FC+set}" = set; then -+if ${ac_cv_prog_ac_ct_FC+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test -n "$ac_ct_FC"; then -@@ -2859,24 +3601,24 @@ - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then - ac_cv_prog_ac_ct_FC="$ac_prog" -- $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi - done --done -+ done - IFS=$as_save_IFS - - fi - fi - ac_ct_FC=$ac_cv_prog_ac_ct_FC - if test -n "$ac_ct_FC"; then -- { $as_echo "$as_me:$LINENO: result: $ac_ct_FC" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_FC" >&5 - $as_echo "$ac_ct_FC" >&6; } - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - fi - -@@ -2889,7 +3631,7 @@ - else - case $cross_compiling:$ac_tool_warned in - yes:) --{ $as_echo "$as_me:$LINENO: WARNING: using cross tools not prefixed with host triplet" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 - $as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} - ac_tool_warned=yes ;; - esac -@@ -2899,54 +3641,41 @@ - - - # Provide some information about the compiler. --$as_echo "$as_me:$LINENO: checking for Fortran compiler version" >&5 -+$as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran compiler version" >&5 - set X $ac_compile - ac_compiler=$2 --{ (ac_try="$ac_compiler --version >&5" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler --version >&5") 2>&5 -- ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } --{ (ac_try="$ac_compiler -v >&5" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler -v >&5") 2>&5 -- ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } --{ (ac_try="$ac_compiler -V >&5" -+for ac_option in --version -v -V -qversion; do -+ { { ac_try="$ac_compiler $ac_option >&5" - case "(($ac_try" in - *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; - *) ac_try_echo=$ac_try;; - esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler -V >&5") 2>&5 -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_compiler $ac_option >&5") 2>conftest.err - ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } -+ if test -s conftest.err; then -+ sed '10a\ -+... rest of stderr output deleted ... -+ 10q' conftest.err >conftest.er1 -+ cat conftest.er1 >&5 -+ fi -+ rm -f conftest.er1 conftest.err -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; } -+done - rm -f a.out - - # If we don't use `.F' as extension, the preprocessor is not run on the - # input file. (Note that this only needs to work for GNU compilers.) - ac_save_ext=$ac_ext - ac_ext=F --{ $as_echo "$as_me:$LINENO: checking whether we are using the GNU Fortran compiler" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU Fortran compiler" >&5 - $as_echo_n "checking whether we are using the GNU Fortran compiler... " >&6; } --if test "${ac_cv_fc_compiler_gnu+set}" = set; then -+if ${ac_cv_fc_compiler_gnu+:} false; then : - $as_echo_n "(cached) " >&6 - else -- cat >conftest.$ac_ext <<_ACEOF -+ cat > conftest.$ac_ext <<_ACEOF - program main - #ifndef __GNUC__ - choke me -@@ -2954,86 +3683,44 @@ - - end - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_fc_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -+if ac_fn_fc_try_compile "$LINENO"; then : - ac_compiler_gnu=yes - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- ac_compiler_gnu=no -+ ac_compiler_gnu=no - fi -- - rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - ac_cv_fc_compiler_gnu=$ac_compiler_gnu - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_fc_compiler_gnu" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_fc_compiler_gnu" >&5 - $as_echo "$ac_cv_fc_compiler_gnu" >&6; } - ac_ext=$ac_save_ext --ac_test_FFLAGS=${FCFLAGS+set} --ac_save_FFLAGS=$FCFLAGS -+ac_test_FCFLAGS=${FCFLAGS+set} -+ac_save_FCFLAGS=$FCFLAGS - FCFLAGS= --{ $as_echo "$as_me:$LINENO: checking whether $FC accepts -g" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $FC accepts -g" >&5 - $as_echo_n "checking whether $FC accepts -g... " >&6; } --if test "${ac_cv_prog_fc_g+set}" = set; then -+if ${ac_cv_prog_fc_g+:} false; then : - $as_echo_n "(cached) " >&6 - else - FCFLAGS=-g --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - - end - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_fc_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -+if ac_fn_fc_try_compile "$LINENO"; then : - ac_cv_prog_fc_g=yes - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- ac_cv_prog_fc_g=no -+ ac_cv_prog_fc_g=no - fi -- - rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_prog_fc_g" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_fc_g" >&5 - $as_echo "$ac_cv_prog_fc_g" >&6; } --if test "$ac_test_FFLAGS" = set; then -- FCFLAGS=$ac_save_FFLAGS -+if test "$ac_test_FCFLAGS" = set; then -+ FCFLAGS=$ac_save_FCFLAGS - elif test $ac_cv_prog_fc_g = yes; then - if test "x$ac_cv_fc_compiler_gnu" = xyes; then - FCFLAGS="-g -O2" -@@ -3048,6 +3735,11 @@ - fi - fi - -+if test $ac_compiler_gnu = yes; then -+ GFC=yes -+else -+ GFC= -+fi - ac_ext=c - ac_cpp='$CPP $CPPFLAGS' - ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -@@ -3064,9 +3756,9 @@ - do - # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. - set dummy $ac_tool_prefix$ac_prog; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 - $as_echo_n "checking for $ac_word... " >&6; } --if test "${ac_cv_prog_FC+set}" = set; then -+if ${ac_cv_prog_FC+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test -n "$FC"; then -@@ -3077,24 +3769,24 @@ - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then - ac_cv_prog_FC="$ac_tool_prefix$ac_prog" -- $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi - done --done -+ done - IFS=$as_save_IFS - - fi - fi - FC=$ac_cv_prog_FC - if test -n "$FC"; then -- { $as_echo "$as_me:$LINENO: result: $FC" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $FC" >&5 - $as_echo "$FC" >&6; } - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - fi - -@@ -3108,9 +3800,9 @@ - do - # Extract the first word of "$ac_prog", so it can be a program name with args. - set dummy $ac_prog; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 - $as_echo_n "checking for $ac_word... " >&6; } --if test "${ac_cv_prog_ac_ct_FC+set}" = set; then -+if ${ac_cv_prog_ac_ct_FC+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test -n "$ac_ct_FC"; then -@@ -3121,24 +3813,24 @@ - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then - ac_cv_prog_ac_ct_FC="$ac_prog" -- $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi - done --done -+ done - IFS=$as_save_IFS - - fi - fi - ac_ct_FC=$ac_cv_prog_ac_ct_FC - if test -n "$ac_ct_FC"; then -- { $as_echo "$as_me:$LINENO: result: $ac_ct_FC" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_FC" >&5 - $as_echo "$ac_ct_FC" >&6; } - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - fi - -@@ -3151,7 +3843,7 @@ - else - case $cross_compiling:$ac_tool_warned in - yes:) --{ $as_echo "$as_me:$LINENO: WARNING: using cross tools not prefixed with host triplet" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 - $as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} - ac_tool_warned=yes ;; - esac -@@ -3161,54 +3853,41 @@ - - - # Provide some information about the compiler. --$as_echo "$as_me:$LINENO: checking for Fortran compiler version" >&5 -+$as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran compiler version" >&5 - set X $ac_compile - ac_compiler=$2 --{ (ac_try="$ac_compiler --version >&5" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler --version >&5") 2>&5 -- ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } --{ (ac_try="$ac_compiler -v >&5" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler -v >&5") 2>&5 -- ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } --{ (ac_try="$ac_compiler -V >&5" -+for ac_option in --version -v -V -qversion; do -+ { { ac_try="$ac_compiler $ac_option >&5" - case "(($ac_try" in - *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; - *) ac_try_echo=$ac_try;; - esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler -V >&5") 2>&5 -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_compiler $ac_option >&5") 2>conftest.err - ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } -+ if test -s conftest.err; then -+ sed '10a\ -+... rest of stderr output deleted ... -+ 10q' conftest.err >conftest.er1 -+ cat conftest.er1 >&5 -+ fi -+ rm -f conftest.er1 conftest.err -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; } -+done - rm -f a.out - - # If we don't use `.F' as extension, the preprocessor is not run on the - # input file. (Note that this only needs to work for GNU compilers.) - ac_save_ext=$ac_ext - ac_ext=F --{ $as_echo "$as_me:$LINENO: checking whether we are using the GNU Fortran compiler" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU Fortran compiler" >&5 - $as_echo_n "checking whether we are using the GNU Fortran compiler... " >&6; } --if test "${ac_cv_fc_compiler_gnu+set}" = set; then -+if ${ac_cv_fc_compiler_gnu+:} false; then : - $as_echo_n "(cached) " >&6 - else -- cat >conftest.$ac_ext <<_ACEOF -+ cat > conftest.$ac_ext <<_ACEOF - program main - #ifndef __GNUC__ - choke me -@@ -3216,86 +3895,44 @@ - - end - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_fc_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -+if ac_fn_fc_try_compile "$LINENO"; then : - ac_compiler_gnu=yes - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- ac_compiler_gnu=no -+ ac_compiler_gnu=no - fi -- - rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - ac_cv_fc_compiler_gnu=$ac_compiler_gnu - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_fc_compiler_gnu" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_fc_compiler_gnu" >&5 - $as_echo "$ac_cv_fc_compiler_gnu" >&6; } - ac_ext=$ac_save_ext --ac_test_FFLAGS=${FCFLAGS+set} --ac_save_FFLAGS=$FCFLAGS -+ac_test_FCFLAGS=${FCFLAGS+set} -+ac_save_FCFLAGS=$FCFLAGS - FCFLAGS= --{ $as_echo "$as_me:$LINENO: checking whether $FC accepts -g" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $FC accepts -g" >&5 - $as_echo_n "checking whether $FC accepts -g... " >&6; } --if test "${ac_cv_prog_fc_g+set}" = set; then -+if ${ac_cv_prog_fc_g+:} false; then : - $as_echo_n "(cached) " >&6 - else - FCFLAGS=-g --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - - end - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_fc_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -+if ac_fn_fc_try_compile "$LINENO"; then : - ac_cv_prog_fc_g=yes - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- ac_cv_prog_fc_g=no -+ ac_cv_prog_fc_g=no - fi -- - rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_prog_fc_g" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_fc_g" >&5 - $as_echo "$ac_cv_prog_fc_g" >&6; } --if test "$ac_test_FFLAGS" = set; then -- FCFLAGS=$ac_save_FFLAGS -+if test "$ac_test_FCFLAGS" = set; then -+ FCFLAGS=$ac_save_FCFLAGS - elif test $ac_cv_prog_fc_g = yes; then - if test "x$ac_cv_fc_compiler_gnu" = xyes; then - FCFLAGS="-g -O2" -@@ -3310,6 +3947,11 @@ - fi - fi - -+if test $ac_compiler_gnu = yes; then -+ GFC=yes -+else -+ GFC= -+fi - ac_ext=c - ac_cpp='$CPP $CPPFLAGS' - ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -@@ -3319,7 +3961,7 @@ - # this avoids that an empty MPIF90 field is produced if the corresponding - # environment variable MPIF90 does not contain an acceptable compiler - if test "$FC" = "" ; then -- { $as_echo "$as_me:$LINENO: WARNING: MPIF90 not found: using MPIF90 anyway" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: MPIF90 not found: using MPIF90 anyway" >&5 - $as_echo "$as_me: WARNING: MPIF90 not found: using MPIF90 anyway" >&2;} - FC=$MPIF90 - fi -@@ -3417,9 +4059,9 @@ - fi - # check if serial and parallel compiler are the same - if test "$f90" != "$f90_in_mpif90"; then -- { $as_echo "$as_me:$LINENO: WARNING: parallel compiler $mpif90 uses $f90_in_mpif90, but serial compiler $f90 was detected" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: parallel compiler $mpif90 uses $f90_in_mpif90, but serial compiler $f90 was detected" >&5 - $as_echo "$as_me: WARNING: parallel compiler $mpif90 uses $f90_in_mpif90, but serial compiler $f90 was detected" >&2;} -- { $as_echo "$as_me:$LINENO: WARNING: assuming F90=$f90_in_mpif90, discarding $f90" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: assuming F90=$f90_in_mpif90, discarding $f90" >&5 - $as_echo "$as_me: WARNING: assuming F90=$f90_in_mpif90, discarding $f90" >&2;} - fi - f90=$f90_in_mpif90 -@@ -3456,1876 +4098,958 @@ - elif $f90 -version 2>&1 | grep -q "NAG Fortran" ; then - f90_version=nagfor - else -- echo $ECHO_N "unknown, leaving as... $ECHO_C" -- f90_version=$f90 -- fi -- echo $f90_version -- ;; --* ) -- f90_version=$f90 -- ;; --esac -- -- -- -- -- -- --# Check environ... -- -- -- # Check whether --enable-environment was given. --if test "${enable_environment+set}" = set; then -- enableval=$enable_environment; if test "$enableval" = "yes" ; then -- enable_environment=1 -- else -- enable_environment=0 -- fi --else -- enable_environment=0 --fi -- -- -- if test "$enable_environment" -eq 1 ; -- then -- try_dflags="$try_dflags -D__ENVIRONMENT" -- fi -- -- -- -- --# Checking MPIF90... -- -- --# candidate C and f77 compilers good for all cases --try_cc="cc gcc" -- --case "$arch:$f90_version" in --*:ifort* ) -- try_cc="icc ecc $try_cc" -- ;; --*:pgf90 ) -- try_cc="pgcc $try_cc" -- ;; --*:pathf95 ) -- try_cc="pathcc $try_cc" -- ;; --*:sunf95 ) -- try_cc="suncc $try_cc" -- ;; --*:openf95 ) -- try_cc="opencc $try_cc" -- ;; --aix:*xlf*_r ) -- try_cc="xlc_r $try_cc" -- ;; --aix:*xlf* ) -- try_cc="xlc $try_cc" -- ;; --cray*:* ) -- try_cc="cc" -- ;; --necsx:* ) -- try_cc="sxcc" -- ;; --ppc64-bg*:*xlf90_r ) -- try_cc="bgxlc_r" -- ;; --ppc64-bg*:*xlf90 ) -- try_cc="bgxlc" -- ;; --ppc64:*xlf* | ppc64-mn:*xlf* ) -- try_cc="xlc_r $try_cc" -- ;; --esac -- --# check serial C compiler --if test "$env_cc" = "" ; then cc="$try_cc" ; else cc="$env_cc"; fi --ac_ext=c --ac_cpp='$CPP $CPPFLAGS' --ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' --ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' --ac_compiler_gnu=$ac_cv_c_compiler_gnu --if test -n "$ac_tool_prefix"; then -- for ac_prog in $cc -- do -- # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. --set dummy $ac_tool_prefix$ac_prog; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 --$as_echo_n "checking for $ac_word... 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" >&6; } -+if ${ac_cv_path_GREP+:} false; then : - $as_echo_n "(cached) " >&6 - else -- ac_cv_header_malloc_h=$ac_header_preproc -+ if test -z "$GREP"; then -+ ac_path_GREP_found=false -+ # Loop through the user's path and test for each of PROGNAME-LIST -+ as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH$PATH_SEPARATOR/usr/xpg4/bin -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_prog in grep ggrep; do -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ ac_path_GREP="$as_dir/$ac_prog$ac_exec_ext" -+ as_fn_executable_p "$ac_path_GREP" || continue -+# Check for GNU ac_path_GREP and select it if it is found. -+ # Check for GNU $ac_path_GREP -+case `"$ac_path_GREP" --version 2>&1` in -+*GNU*) -+ ac_cv_path_GREP="$ac_path_GREP" ac_path_GREP_found=:;; -+*) -+ ac_count=0 -+ $as_echo_n 0123456789 >"conftest.in" -+ while : -+ do -+ cat "conftest.in" "conftest.in" >"conftest.tmp" -+ mv "conftest.tmp" "conftest.in" -+ cp "conftest.in" "conftest.nl" -+ $as_echo 'GREP' >> "conftest.nl" -+ "$ac_path_GREP" -e 'GREP$' -e '-(cannot match)-' < "conftest.nl" >"conftest.out" 2>/dev/null || break -+ diff "conftest.out" "conftest.nl" >/dev/null 2>&1 || break -+ as_fn_arith $ac_count + 1 && ac_count=$as_val -+ if test $ac_count -gt ${ac_path_GREP_max-0}; then -+ # Best one so far, save it but keep looking for a better one -+ ac_cv_path_GREP="$ac_path_GREP" -+ ac_path_GREP_max=$ac_count -+ fi -+ # 10*(2^10) chars as input seems more than enough -+ test $ac_count -gt 10 && break -+ done -+ rm -f conftest.in conftest.tmp conftest.nl conftest.out;; -+esac -+ -+ $ac_path_GREP_found && break 3 -+ done -+ done -+ done -+IFS=$as_save_IFS -+ if test -z "$ac_cv_path_GREP"; then -+ as_fn_error $? "no acceptable grep could be found in $PATH$PATH_SEPARATOR/usr/xpg4/bin" "$LINENO" 5 -+ fi -+else -+ ac_cv_path_GREP=$GREP - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_header_malloc_h" >&5 --$as_echo "$ac_cv_header_malloc_h" >&6; } - - fi --if test "x$ac_cv_header_malloc_h" = x""yes; then -- have_malloc_h=1 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_path_GREP" >&5 -+$as_echo "$ac_cv_path_GREP" >&6; } -+ GREP="$ac_cv_path_GREP" -+ -+ -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for egrep" >&5 -+$as_echo_n "checking for egrep... " >&6; } -+if ${ac_cv_path_EGREP+:} false; then : -+ $as_echo_n "(cached) " >&6 - else -- have_malloc_h=0 -+ if echo a | $GREP -E '(a|b)' >/dev/null 2>&1 -+ then ac_cv_path_EGREP="$GREP -E" -+ else -+ if test -z "$EGREP"; then -+ ac_path_EGREP_found=false -+ # Loop through the user's path and test for each of PROGNAME-LIST -+ as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH$PATH_SEPARATOR/usr/xpg4/bin -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_prog in egrep; do -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ ac_path_EGREP="$as_dir/$ac_prog$ac_exec_ext" -+ as_fn_executable_p "$ac_path_EGREP" || continue -+# Check for GNU ac_path_EGREP and select it if it is found. -+ # Check for GNU $ac_path_EGREP -+case `"$ac_path_EGREP" --version 2>&1` in -+*GNU*) -+ ac_cv_path_EGREP="$ac_path_EGREP" ac_path_EGREP_found=:;; -+*) -+ ac_count=0 -+ $as_echo_n 0123456789 >"conftest.in" -+ while : -+ do -+ cat "conftest.in" "conftest.in" >"conftest.tmp" -+ mv "conftest.tmp" "conftest.in" -+ cp "conftest.in" "conftest.nl" -+ $as_echo 'EGREP' >> "conftest.nl" -+ "$ac_path_EGREP" 'EGREP$' < "conftest.nl" >"conftest.out" 2>/dev/null || break -+ diff "conftest.out" "conftest.nl" >/dev/null 2>&1 || break -+ as_fn_arith $ac_count + 1 && ac_count=$as_val -+ if test $ac_count -gt ${ac_path_EGREP_max-0}; then -+ # Best one so far, save it but keep looking for a better one -+ ac_cv_path_EGREP="$ac_path_EGREP" -+ ac_path_EGREP_max=$ac_count -+ fi -+ # 10*(2^10) chars as input seems more than enough -+ test $ac_count -gt 10 && break -+ done -+ rm -f conftest.in conftest.tmp conftest.nl conftest.out;; -+esac -+ -+ $ac_path_EGREP_found && break 3 -+ done -+ done -+ done -+IFS=$as_save_IFS -+ if test -z "$ac_cv_path_EGREP"; then -+ as_fn_error $? "no acceptable egrep could be found in $PATH$PATH_SEPARATOR/usr/xpg4/bin" "$LINENO" 5 -+ fi -+else -+ ac_cv_path_EGREP=$EGREP - fi - -+ fi -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_path_EGREP" >&5 -+$as_echo "$ac_cv_path_EGREP" >&6; } -+ EGREP="$ac_cv_path_EGREP" -+ - --if test "$have_malloc_h" -ne 0 --then --{ $as_echo "$as_me:$LINENO: checking for struct mallinfo.arena" >&5 --$as_echo_n "checking for struct mallinfo.arena... " >&6; } --if test "${ac_cv_member_struct_mallinfo_arena+set}" = set; then -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for ANSI C header files" >&5 -+$as_echo_n "checking for ANSI C header files... " >&6; } -+if ${ac_cv_header_stdc+:} false; then : - $as_echo_n "(cached) " >&6 - else -- cat >conftest.$ac_ext <<_ACEOF --/* confdefs.h. */ --_ACEOF --cat confdefs.h >>conftest.$ac_ext --cat >>conftest.$ac_ext <<_ACEOF -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext - /* end confdefs.h. */ --#include -+#include -+#include -+#include -+#include - - int - main () - { --static struct mallinfo ac_aggr; --if (ac_aggr.arena) --return 0; -+ - ; - return 0; - } - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_c_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -- ac_cv_member_struct_mallinfo_arena=yes -+if ac_fn_c_try_compile "$LINENO"; then : -+ ac_cv_header_stdc=yes - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -+ ac_cv_header_stdc=no -+fi -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+if test $ac_cv_header_stdc = yes; then -+ # SunOS 4.x string.h does not declare mem*, contrary to ANSI. -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext -+/* end confdefs.h. */ -+#include -+ -+_ACEOF -+if (eval "$ac_cpp conftest.$ac_ext") 2>&5 | -+ $EGREP "memchr" >/dev/null 2>&1; then : -+ -+else -+ ac_cv_header_stdc=no -+fi -+rm -f conftest* -+ -+fi -+ -+if test $ac_cv_header_stdc = yes; then -+ # ISC 2.0.2 stdlib.h does not declare free, contrary to ANSI. -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext -+/* end confdefs.h. */ -+#include - -- cat >conftest.$ac_ext <<_ACEOF --/* confdefs.h. */ - _ACEOF --cat confdefs.h >>conftest.$ac_ext --cat >>conftest.$ac_ext <<_ACEOF -+if (eval "$ac_cpp conftest.$ac_ext") 2>&5 | -+ $EGREP "free" >/dev/null 2>&1; then : -+ -+else -+ ac_cv_header_stdc=no -+fi -+rm -f conftest* -+ -+fi -+ -+if test $ac_cv_header_stdc = yes; then -+ # /bin/cc in Irix-4.0.5 gets non-ANSI ctype macros unless using -ansi. -+ if test "$cross_compiling" = yes; then : -+ : -+else -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext - /* end confdefs.h. */ --#include -+#include -+#include -+#if ((' ' & 0x0FF) == 0x020) -+# define ISLOWER(c) ('a' <= (c) && (c) <= 'z') -+# define TOUPPER(c) (ISLOWER(c) ? 'A' + ((c) - 'a') : (c)) -+#else -+# define ISLOWER(c) \ -+ (('a' <= (c) && (c) <= 'i') \ -+ || ('j' <= (c) && (c) <= 'r') \ -+ || ('s' <= (c) && (c) <= 'z')) -+# define TOUPPER(c) (ISLOWER(c) ? ((c) | 0x40) : (c)) -+#endif - -+#define XOR(e, f) (((e) && !(f)) || (!(e) && (f))) - int - main () - { --static struct mallinfo ac_aggr; --if (sizeof ac_aggr.arena) --return 0; -- ; -+ int i; -+ for (i = 0; i < 256; i++) -+ if (XOR (islower (i), ISLOWER (i)) -+ || toupper (i) != TOUPPER (i)) -+ return 2; - return 0; - } - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_c_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -- ac_cv_member_struct_mallinfo_arena=yes -+if ac_fn_c_try_run "$LINENO"; then : -+ - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -+ ac_cv_header_stdc=no -+fi -+rm -f core *.core core.conftest.* gmon.out bb.out conftest$ac_exeext \ -+ conftest.$ac_objext conftest.beam conftest.$ac_ext -+fi - -- ac_cv_member_struct_mallinfo_arena=no - fi -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_header_stdc" >&5 -+$as_echo "$ac_cv_header_stdc" >&6; } -+if test $ac_cv_header_stdc = yes; then -+ -+$as_echo "#define STDC_HEADERS 1" >>confdefs.h - --rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - fi - --rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+# On IRIX 5.3, sys/types and inttypes.h are conflicting. -+for ac_header in sys/types.h sys/stat.h stdlib.h string.h memory.h strings.h \ -+ inttypes.h stdint.h unistd.h -+do : -+ as_ac_Header=`$as_echo "ac_cv_header_$ac_header" | $as_tr_sh` -+ac_fn_c_check_header_compile "$LINENO" "$ac_header" "$as_ac_Header" "$ac_includes_default -+" -+if eval test \"x\$"$as_ac_Header"\" = x"yes"; then : -+ cat >>confdefs.h <<_ACEOF -+#define `$as_echo "HAVE_$ac_header" | $as_tr_cpp` 1 -+_ACEOF -+ -+fi -+ -+done -+ -+ -+ -+ -+# check size of pointers to int - needed to decide the size of integer -+# arrays in fortran holding C pointers for FFTW -+ -+# The cast to long int works around a bug in the HP C Compiler -+# version HP92453-01 B.11.11.23709.GP, which incorrectly rejects -+# declarations like `int a3[[(sizeof (unsigned char)) >= 0]];'. -+# This bug is HP SR number 8606223364. -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking size of int *" >&5 -+$as_echo_n "checking size of int *... " >&6; } -+if ${ac_cv_sizeof_int_p+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if ac_fn_c_compute_int "$LINENO" "(long int) (sizeof (int *))" "ac_cv_sizeof_int_p" "$ac_includes_default"; then : -+ -+else -+ if test "$ac_cv_type_int_p" = yes; then -+ { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+as_fn_error 77 "cannot compute sizeof (int *) -+See \`config.log' for more details" "$LINENO" 5; } -+ else -+ ac_cv_sizeof_int_p=0 -+ fi -+fi -+ - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_member_struct_mallinfo_arena" >&5 --$as_echo "$ac_cv_member_struct_mallinfo_arena" >&6; } --if test "x$ac_cv_member_struct_mallinfo_arena" = x""yes; then -- cat >>confdefs.h <<\_ACEOF --#define HAVE_MALLINFO 1 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_sizeof_int_p" >&5 -+$as_echo "$ac_cv_sizeof_int_p" >&6; } -+ -+ -+ -+cat >>confdefs.h <<_ACEOF -+#define SIZEOF_INT_P $ac_cv_sizeof_int_p - _ACEOF - -+ -+SIZEOF_INT_P=$ac_cv_sizeof_int_p -+ -+ -+# check if the structure mallinfo is present in malloc.h -+ac_fn_c_check_header_mongrel "$LINENO" "malloc.h" "ac_cv_header_malloc_h" "$ac_includes_default" -+if test "x$ac_cv_header_malloc_h" = xyes; then : -+ have_malloc_h=1 -+else -+ have_malloc_h=0 -+fi -+ -+ -+if test "$have_malloc_h" -ne 0 -+then -+ac_fn_c_check_member "$LINENO" "struct mallinfo" "arena" "ac_cv_member_struct_mallinfo_arena" "#include -+" -+if test "x$ac_cv_member_struct_mallinfo_arena" = xyes; then : -+ $as_echo "#define HAVE_MALLINFO 1" >>confdefs.h -+ - fi - - -@@ -5374,9 +5098,9 @@ - do - # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. - set dummy $ac_tool_prefix$ac_prog; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 - $as_echo_n "checking for $ac_word... " >&6; } --if test "${ac_cv_prog_F77+set}" = set; then -+if ${ac_cv_prog_F77+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test -n "$F77"; then -@@ -5387,24 +5111,24 @@ - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then - ac_cv_prog_F77="$ac_tool_prefix$ac_prog" -- $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi - done --done -+ done - IFS=$as_save_IFS - - fi - fi - F77=$ac_cv_prog_F77 - if test -n "$F77"; then -- { $as_echo "$as_me:$LINENO: result: $F77" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $F77" >&5 - $as_echo "$F77" >&6; } - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - fi - -@@ -5418,9 +5142,9 @@ - do - # Extract the first word of "$ac_prog", so it can be a program name with args. - set dummy $ac_prog; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 - $as_echo_n "checking for $ac_word... " >&6; } --if test "${ac_cv_prog_ac_ct_F77+set}" = set; then -+if ${ac_cv_prog_ac_ct_F77+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test -n "$ac_ct_F77"; then -@@ -5431,24 +5155,24 @@ - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then - ac_cv_prog_ac_ct_F77="$ac_prog" -- $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi - done --done -+ done - IFS=$as_save_IFS - - fi - fi - ac_ct_F77=$ac_cv_prog_ac_ct_F77 - if test -n "$ac_ct_F77"; then -- { $as_echo "$as_me:$LINENO: result: $ac_ct_F77" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_F77" >&5 - $as_echo "$ac_ct_F77" >&6; } - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - fi - -@@ -5461,7 +5185,7 @@ - else - case $cross_compiling:$ac_tool_warned in - yes:) --{ $as_echo "$as_me:$LINENO: WARNING: using cross tools not prefixed with host triplet" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 - $as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} - ac_tool_warned=yes ;; - esac -@@ -5471,54 +5195,41 @@ - - - # Provide some information about the compiler. --$as_echo "$as_me:$LINENO: checking for Fortran 77 compiler version" >&5 -+$as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran 77 compiler version" >&5 - set X $ac_compile - ac_compiler=$2 --{ (ac_try="$ac_compiler --version >&5" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler --version >&5") 2>&5 -- ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } --{ (ac_try="$ac_compiler -v >&5" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler -v >&5") 2>&5 -- ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } --{ (ac_try="$ac_compiler -V >&5" -+for ac_option in --version -v -V -qversion; do -+ { { ac_try="$ac_compiler $ac_option >&5" - case "(($ac_try" in - *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; - *) ac_try_echo=$ac_try;; - esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compiler -V >&5") 2>&5 -+eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" -+$as_echo "$ac_try_echo"; } >&5 -+ (eval "$ac_compiler $ac_option >&5") 2>conftest.err - ac_status=$? -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } -+ if test -s conftest.err; then -+ sed '10a\ -+... rest of stderr output deleted ... -+ 10q' conftest.err >conftest.er1 -+ cat conftest.er1 >&5 -+ fi -+ rm -f conftest.er1 conftest.err -+ $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 -+ test $ac_status = 0; } -+done - rm -f a.out - - # If we don't use `.F' as extension, the preprocessor is not run on the - # input file. (Note that this only needs to work for GNU compilers.) - ac_save_ext=$ac_ext - ac_ext=F --{ $as_echo "$as_me:$LINENO: checking whether we are using the GNU Fortran 77 compiler" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU Fortran 77 compiler" >&5 - $as_echo_n "checking whether we are using the GNU Fortran 77 compiler... " >&6; } --if test "${ac_cv_f77_compiler_gnu+set}" = set; then -+if ${ac_cv_f77_compiler_gnu+:} false; then : - $as_echo_n "(cached) " >&6 - else -- cat >conftest.$ac_ext <<_ACEOF -+ cat > conftest.$ac_ext <<_ACEOF - program main - #ifndef __GNUC__ - choke me -@@ -5526,83 +5237,41 @@ - - end - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -+if ac_fn_f77_try_compile "$LINENO"; then : - ac_compiler_gnu=yes - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- ac_compiler_gnu=no -+ ac_compiler_gnu=no - fi -- - rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - ac_cv_f77_compiler_gnu=$ac_compiler_gnu - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_f77_compiler_gnu" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_f77_compiler_gnu" >&5 - $as_echo "$ac_cv_f77_compiler_gnu" >&6; } - ac_ext=$ac_save_ext - ac_test_FFLAGS=${FFLAGS+set} - ac_save_FFLAGS=$FFLAGS - FFLAGS= --{ $as_echo "$as_me:$LINENO: checking whether $F77 accepts -g" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $F77 accepts -g" >&5 - $as_echo_n "checking whether $F77 accepts -g... " >&6; } --if test "${ac_cv_prog_f77_g+set}" = set; then -+if ${ac_cv_prog_f77_g+:} false; then : - $as_echo_n "(cached) " >&6 - else - FFLAGS=-g --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - - end - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -+if ac_fn_f77_try_compile "$LINENO"; then : - ac_cv_prog_f77_g=yes - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- ac_cv_prog_f77_g=no -+ ac_cv_prog_f77_g=no - fi -- - rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_prog_f77_g" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_f77_g" >&5 - $as_echo "$ac_cv_prog_f77_g" >&6; } - if test "$ac_test_FFLAGS" = set; then - FFLAGS=$ac_save_FFLAGS -@@ -5644,7 +5313,7 @@ - - # debug flags are implemented only for a few cases - # Check whether --enable-debug was given. --if test "${enable_debug+set}" = set; then -+if test "${enable_debug+set}" = set; then : - enableval=$enable_debug; if test "$enableval" = "yes" ; then - use_debug=1 - else -@@ -5657,7 +5326,7 @@ - - # shared library flags are implemented only for a few (untested) cases - # Check whether --enable-shared was given. --if test "${enable_shared+set}" = set; then -+if test "${enable_shared+set}" = set; then : - enableval=$enable_shared; if test "$enableval" = "yes" ; then - use_shared=1 - else -@@ -5923,7 +5592,7 @@ - - - # Check whether --enable-openmp was given. --if test "${enable_openmp+set}" = set; then -+if test "${enable_openmp+set}" = set; then : - enableval=$enable_openmp; if test "$enableval" = "yes" ; then - use_openmp=1 - else -@@ -6027,11 +5696,11 @@ - # Checking F90 rule... - - --{ $as_echo "$as_me:$LINENO: checking whether ${MAKE-make} sets \$(MAKE)" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether ${MAKE-make} sets \$(MAKE)" >&5 - $as_echo_n "checking whether ${MAKE-make} sets \$(MAKE)... " >&6; } - set x ${MAKE-make} - ac_make=`$as_echo "$2" | sed 's/+/p/g; s/[^a-zA-Z0-9_]/_/g'` --if { as_var=ac_cv_prog_make_${ac_make}_set; eval "test \"\${$as_var+set}\" = set"; }; then -+if eval \${ac_cv_prog_make_${ac_make}_set+:} false; then : - $as_echo_n "(cached) " >&6 - else - cat >conftest.make <<\_ACEOF -@@ -6039,7 +5708,7 @@ - all: - @echo '@@@%%%=$(MAKE)=@@@%%%' - _ACEOF --# GNU make sometimes prints "make[1]: Entering...", which would confuse us. -+# GNU make sometimes prints "make[1]: Entering ...", which would confuse us. - case `${MAKE-make} -f conftest.make 2>/dev/null` in - *@@@%%%=?*=@@@%%%*) - eval ac_cv_prog_make_${ac_make}_set=yes;; -@@ -6049,11 +5718,11 @@ - rm -f conftest.make - fi - if eval test \$ac_cv_prog_make_${ac_make}_set = yes; then -- { $as_echo "$as_me:$LINENO: result: yes" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: yes" >&5 - $as_echo "yes" >&6; } - SET_MAKE= - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - SET_MAKE="MAKE=${MAKE-make}" - fi -@@ -6074,43 +5743,59 @@ - - - # find Fortran to C wrappers -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking host system type" >&5 -+$as_echo_n "checking host system type... " >&6; } -+if ${ac_cv_host+:} false; then : -+ $as_echo_n "(cached) " >&6 -+else -+ if test "x$host_alias" = x; then -+ ac_cv_host=$ac_cv_build -+else -+ ac_cv_host=`$SHELL "$ac_aux_dir/config.sub" $host_alias` || -+ as_fn_error $? "$SHELL $ac_aux_dir/config.sub $host_alias failed" "$LINENO" 5 -+fi -+ -+fi -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_host" >&5 -+$as_echo "$ac_cv_host" >&6; } -+case $ac_cv_host in -+*-*-*) ;; -+*) as_fn_error $? "invalid value of canonical host" "$LINENO" 5;; -+esac -+host=$ac_cv_host -+ac_save_IFS=$IFS; IFS='-' -+set x $ac_cv_host -+shift -+host_cpu=$1 -+host_vendor=$2 -+shift; shift -+# Remember, the first character of IFS is used to create $*, -+# except with old shells: -+host_os=$* -+IFS=$ac_save_IFS -+case $host_os in *\ *) host_os=`echo "$host_os" | sed 's/ /-/g'`;; esac -+ -+ - - ac_ext=f - ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' - ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' - ac_compiler_gnu=$ac_cv_f77_compiler_gnu --{ $as_echo "$as_me:$LINENO: checking how to get verbose linking output from $F77" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking how to get verbose linking output from $F77" >&5 - $as_echo_n "checking how to get verbose linking output from $F77... " >&6; } --if test "${ac_cv_prog_f77_v+set}" = set; then -+if ${ac_cv_prog_f77_v+:} false; then : - $as_echo_n "(cached) " >&6 - else -- cat >conftest.$ac_ext <<_ACEOF -+ cat > conftest.$ac_ext <<_ACEOF - program main - - end - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -+if ac_fn_f77_try_compile "$LINENO"; then : - ac_cv_prog_f77_v= - # Try some options frequently used verbose output - for ac_verb in -v -verbose --verbose -V -\#\#\#; do -- cat >conftest.$ac_ext <<_ACEOF -+ cat > conftest.$ac_ext <<_ACEOF - program main - - end -@@ -6124,11 +5809,12 @@ - FFLAGS="$FFLAGS $ac_verb" - eval "set x $ac_link" - shift --$as_echo "$as_me:$LINENO: $*" >&5 -+$as_echo "$as_me:${as_lineno-$LINENO}: $*" >&5 - # gfortran 4.3 outputs lines setting COLLECT_GCC_OPTIONS, COMPILER_PATH, - # LIBRARY_PATH; skip all such settings. - ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | -- grep -v 'Driving:' | grep -v "^[_$as_cr_Letters][_$as_cr_alnum]*="` -+ sed '/^Driving:/d; /^Configured with:/d; -+ '"/^[_$as_cr_Letters][_$as_cr_alnum]*=/d"` - $as_echo "$ac_f77_v_output" >&5 - FFLAGS=$ac_save_FFLAGS - -@@ -6145,9 +5831,16 @@ - # that detects unbalanced quotes in FLIBS should be implemented - # and (ugh) tested at some point. - case $ac_f77_v_output in -- # If we are using xlf then replace all the commas with spaces. -+ # With xlf replace commas with spaces, -+ # and remove "-link" and closing parenthesis. - *xlfentry*) -- ac_f77_v_output=`echo $ac_f77_v_output | sed 's/,/ /g'` ;; -+ ac_f77_v_output=`echo $ac_f77_v_output | -+ sed ' -+ s/,/ /g -+ s/ -link / /g -+ s/) *$// -+ ' -+ ` ;; - - # With Intel ifc, ignore the quoted -mGLOB_options_string stuff (quoted - # $LIBS confuse us, and the libraries appear later in the output anyway). -@@ -6159,9 +5852,19 @@ - # Doubly-quoted arguments were reported for "PGF90/x86 Linux/x86 5.0-2". - *-cmdline\ * | *-ignore\ * | *-def\ *) - ac_f77_v_output=`echo $ac_f77_v_output | sed "\ -- s/-cmdline *'[^']*'/ /g; s/-cmdline *\"[^\"]*\"/ /g -- s/-ignore *'[^']*'/ /g; s/-ignore *\"[^\"]*\"/ /g -- s/-def *'[^']*'/ /g; s/-def *\"[^\"]*\"/ /g"` ;; -+ s/-cmdline *'[^']*'/ /g; s/-cmdline *\"[^\"]*\"/ /g -+ s/-ignore *'[^']*'/ /g; s/-ignore *\"[^\"]*\"/ /g -+ s/-def *'[^']*'/ /g; s/-def *\"[^\"]*\"/ /g"` ;; -+ -+ # If we are using fort77 (the f2c wrapper) then filter output and delete quotes. -+ *fort77*f2c*gcc*) -+ ac_f77_v_output=`echo "$ac_f77_v_output" | sed -n ' -+ /:[ ]\+Running[ ]\{1,\}"gcc"/{ -+ /"-c"/d -+ /[.]c"*/d -+ s/^.*"gcc"/"gcc"/ -+ s/"//gp -+ }'` ;; - - # If we are using Cray Fortran then delete quotes. - *cft90*) -@@ -6172,39 +5875,35 @@ - # look for -l* and *.a constructs in the output - for ac_arg in $ac_f77_v_output; do - case $ac_arg in -- [\\/]*.a | ?:[\\/]*.a | -[lLRu]*) -- ac_cv_prog_f77_v=$ac_verb -- break 2 ;; -+ [\\/]*.a | ?:[\\/]*.a | -[lLRu]*) -+ ac_cv_prog_f77_v=$ac_verb -+ break 2 ;; - esac - done - done - if test -z "$ac_cv_prog_f77_v"; then -- { $as_echo "$as_me:$LINENO: WARNING: cannot determine how to obtain linking information from $F77" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: cannot determine how to obtain linking information from $F77" >&5 - $as_echo "$as_me: WARNING: cannot determine how to obtain linking information from $F77" >&2;} - fi - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- { $as_echo "$as_me:$LINENO: WARNING: compilation failed" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: compilation failed" >&5 - $as_echo "$as_me: WARNING: compilation failed" >&2;} - fi -- - rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_prog_f77_v" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_prog_f77_v" >&5 - $as_echo "$ac_cv_prog_f77_v" >&6; } --{ $as_echo "$as_me:$LINENO: checking for Fortran 77 libraries of $F77" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran 77 libraries of $F77" >&5 - $as_echo_n "checking for Fortran 77 libraries of $F77... " >&6; } --if test "${ac_cv_f77_libs+set}" = set; then -+if ${ac_cv_f77_libs+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test "x$FLIBS" != "x"; then - ac_cv_f77_libs="$FLIBS" # Let the user override the test. - else - --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - - end -@@ -6218,11 +5917,12 @@ - FFLAGS="$FFLAGS $ac_cv_prog_f77_v" - eval "set x $ac_link" - shift --$as_echo "$as_me:$LINENO: $*" >&5 -+$as_echo "$as_me:${as_lineno-$LINENO}: $*" >&5 - # gfortran 4.3 outputs lines setting COLLECT_GCC_OPTIONS, COMPILER_PATH, - # LIBRARY_PATH; skip all such settings. - ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | -- grep -v 'Driving:' | grep -v "^[_$as_cr_Letters][_$as_cr_alnum]*="` -+ sed '/^Driving:/d; /^Configured with:/d; -+ '"/^[_$as_cr_Letters][_$as_cr_alnum]*=/d"` - $as_echo "$ac_f77_v_output" >&5 - FFLAGS=$ac_save_FFLAGS - -@@ -6239,9 +5939,16 @@ - # that detects unbalanced quotes in FLIBS should be implemented - # and (ugh) tested at some point. - case $ac_f77_v_output in -- # If we are using xlf then replace all the commas with spaces. -+ # With xlf replace commas with spaces, -+ # and remove "-link" and closing parenthesis. - *xlfentry*) -- ac_f77_v_output=`echo $ac_f77_v_output | sed 's/,/ /g'` ;; -+ ac_f77_v_output=`echo $ac_f77_v_output | -+ sed ' -+ s/,/ /g -+ s/ -link / /g -+ s/) *$// -+ ' -+ ` ;; - - # With Intel ifc, ignore the quoted -mGLOB_options_string stuff (quoted - # $LIBS confuse us, and the libraries appear later in the output anyway). -@@ -6253,9 +5960,19 @@ - # Doubly-quoted arguments were reported for "PGF90/x86 Linux/x86 5.0-2". - *-cmdline\ * | *-ignore\ * | *-def\ *) - ac_f77_v_output=`echo $ac_f77_v_output | sed "\ -- s/-cmdline *'[^']*'/ /g; s/-cmdline *\"[^\"]*\"/ /g -- s/-ignore *'[^']*'/ /g; s/-ignore *\"[^\"]*\"/ /g -- s/-def *'[^']*'/ /g; s/-def *\"[^\"]*\"/ /g"` ;; -+ s/-cmdline *'[^']*'/ /g; s/-cmdline *\"[^\"]*\"/ /g -+ s/-ignore *'[^']*'/ /g; s/-ignore *\"[^\"]*\"/ /g -+ s/-def *'[^']*'/ /g; s/-def *\"[^\"]*\"/ /g"` ;; -+ -+ # If we are using fort77 (the f2c wrapper) then filter output and delete quotes. -+ *fort77*f2c*gcc*) -+ ac_f77_v_output=`echo "$ac_f77_v_output" | sed -n ' -+ /:[ ]\+Running[ ]\{1,\}"gcc"/{ -+ /"-c"/d -+ /[.]c"*/d -+ s/^.*"gcc"/"gcc"/ -+ s/"//gp -+ }'` ;; - - # If we are using Cray Fortran then delete quotes. - *cft90*) -@@ -6274,8 +5991,8 @@ - shift - ac_arg=$1 - case $ac_arg in -- [\\/]*.a | ?:[\\/]*.a) -- ac_exists=false -+ [\\/]*.a | ?:[\\/]*.a) -+ ac_exists=false - for ac_i in $ac_cv_f77_libs; do - if test x"$ac_arg" = x"$ac_i"; then - ac_exists=true -@@ -6283,15 +6000,14 @@ - fi - done - -- if test x"$ac_exists" = xtrue; then -- : -+ if test x"$ac_exists" = xtrue; then : -+ - else - ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" - fi -- -- ;; -- -bI:*) -- ac_exists=false -+ ;; -+ -bI:*) -+ ac_exists=false - for ac_i in $ac_cv_f77_libs; do - if test x"$ac_arg" = x"$ac_i"; then - ac_exists=true -@@ -6299,8 +6015,8 @@ - fi - done - -- if test x"$ac_exists" = xtrue; then -- : -+ if test x"$ac_exists" = xtrue; then : -+ - else - if test "$ac_compiler_gnu" = yes; then - for ac_link_opt in $ac_arg; do -@@ -6310,18 +6026,22 @@ - ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" - fi - fi -- -- ;; -- # Ignore these flags. -- -lang* | -lcrt*.o | -lc | -lgcc* | -lSystem | -libmil | -LANG:=* | -LIST:* | -LNO:*) -- ;; -- -lkernel32) -- test x"$CYGWIN" != xyes && ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -- ;; -- -[LRuYz]) -- # These flags, when seen by themselves, take an argument. -- # We remove the space between option and argument and re-iterate -- # unless we find an empty arg or a new option (starting with -) -+ ;; -+ # Ignore these flags. -+ -lang* | -lcrt*.o | -lc | -lgcc* | -lSystem | -libmil | -little \ -+ |-LANG:=* | -LIST:* | -LNO:* | -link) -+ ;; -+ -lkernel32) -+ case $host_os in -+ *cygwin*) ;; -+ *) ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -+ ;; -+ esac -+ ;; -+ -[LRuYz]) -+ # These flags, when seen by themselves, take an argument. -+ # We remove the space between option and argument and re-iterate -+ # unless we find an empty arg or a new option (starting with -) - case $2 in - "" | -*);; - *) -@@ -6330,10 +6050,10 @@ - set X $ac_arg "$@" - ;; - esac -- ;; -- -YP,*) -- for ac_j in `$as_echo "$ac_arg" | sed -e 's/-YP,/-L/;s/:/ -L/g'`; do -- ac_exists=false -+ ;; -+ -YP,*) -+ for ac_j in `$as_echo "$ac_arg" | sed -e 's/-YP,/-L/;s/:/ -L/g'`; do -+ ac_exists=false - for ac_i in $ac_cv_f77_libs; do - if test x"$ac_j" = x"$ac_i"; then - ac_exists=true -@@ -6341,17 +6061,16 @@ - fi - done - -- if test x"$ac_exists" = xtrue; then -- : -+ if test x"$ac_exists" = xtrue; then : -+ - else - ac_arg="$ac_arg $ac_j" -- ac_cv_f77_libs="$ac_cv_f77_libs $ac_j" -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_j" - fi -- -- done -- ;; -- -[lLR]*) -- ac_exists=false -+ done -+ ;; -+ -[lLR]*) -+ ac_exists=false - for ac_i in $ac_cv_f77_libs; do - if test x"$ac_arg" = x"$ac_i"; then - ac_exists=true -@@ -6359,17 +6078,16 @@ - fi - done - -- if test x"$ac_exists" = xtrue; then -- : -+ if test x"$ac_exists" = xtrue; then : -+ - else - ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" - fi -- -- ;; -+ ;; - -zallextract*| -zdefaultextract) - ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" - ;; -- # Ignore everything else. -+ # Ignore everything else. - esac - done - # restore positional arguments -@@ -6381,9 +6099,9 @@ - case `(uname -sr) 2>/dev/null` in - "SunOS 5"*) - ac_ld_run_path=`$as_echo "$ac_f77_v_output" | -- sed -n 's,^.*LD_RUN_PATH *= *\(/[^ ]*\).*$,-R\1,p'` -+ sed -n 's,^.*LD_RUN_PATH *= *\(/[^ ]*\).*$,-R\1,p'` - test "x$ac_ld_run_path" != x && -- if test "$ac_compiler_gnu" = yes; then -+ if test "$ac_compiler_gnu" = yes; then - for ac_link_opt in $ac_ld_run_path; do - ac_cv_f77_libs="$ac_cv_f77_libs -Xlinker $ac_link_opt" - done -@@ -6395,7 +6113,7 @@ - fi # test "x$[]_AC_LANG_PREFIX[]LIBS" = "x" - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_f77_libs" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_f77_libs" >&5 - $as_echo "$ac_cv_f77_libs" >&6; } - FLIBS="$ac_cv_f77_libs" - -@@ -6411,9 +6129,9 @@ - ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' - ac_compiler_gnu=$ac_cv_f77_compiler_gnu - --{ $as_echo "$as_me:$LINENO: checking for dummy main to link with Fortran 77 libraries" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for dummy main to link with Fortran 77 libraries" >&5 - $as_echo_n "checking for dummy main to link with Fortran 77 libraries... " >&6; } --if test "${ac_cv_f77_dummy_main+set}" = set; then -+if ${ac_cv_f77_dummy_main+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_f77_dm_save_LIBS=$LIBS -@@ -6426,11 +6144,7 @@ - ac_compiler_gnu=$ac_cv_c_compiler_gnu - - # First, try linking without a dummy main: -- cat >conftest.$ac_ext <<_ACEOF --/* confdefs.h. */ --_ACEOF --cat confdefs.h >>conftest.$ac_ext --cat >>conftest.$ac_ext <<_ACEOF -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext - /* end confdefs.h. */ - - #ifdef F77_DUMMY_MAIN -@@ -6441,54 +6155,25 @@ - int F77_DUMMY_MAIN() { return 1; } - - #endif --int --main () --{ -- -- ; -- return 0; --} --_ACEOF --rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_c_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+int -+main () -+{ -+ -+ ; -+ return 0; -+} -+_ACEOF -+if ac_fn_c_try_link "$LINENO"; then : - ac_cv_fortran_dummy_main=none - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- ac_cv_fortran_dummy_main=unknown -+ ac_cv_fortran_dummy_main=unknown - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext conftest.$ac_ext -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext conftest.$ac_ext - - if test $ac_cv_fortran_dummy_main = unknown; then - for ac_func in MAIN__ MAIN_ __main MAIN _MAIN __MAIN main_ main__ _main; do -- cat >conftest.$ac_ext <<_ACEOF --/* confdefs.h. */ --_ACEOF --cat confdefs.h >>conftest.$ac_ext --cat >>conftest.$ac_ext <<_ACEOF -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext - /* end confdefs.h. */ - #define $ac_fortran_dm_var $ac_func - #ifdef F77_DUMMY_MAIN -@@ -6507,38 +6192,11 @@ - return 0; - } - _ACEOF --rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_c_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+if ac_fn_c_try_link "$LINENO"; then : - ac_cv_fortran_dummy_main=$ac_func; break --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext conftest.$ac_ext -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext conftest.$ac_ext - done - fi - ac_ext=f -@@ -6550,10 +6208,10 @@ - LIBS=$ac_f77_dm_save_LIBS - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_f77_dummy_main" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_f77_dummy_main" >&5 - $as_echo "$ac_cv_f77_dummy_main" >&6; } - F77_DUMMY_MAIN=$ac_cv_f77_dummy_main --if test "$F77_DUMMY_MAIN" != unknown; then -+if test "$F77_DUMMY_MAIN" != unknown; then : - if test $F77_DUMMY_MAIN != none; then - - cat >>confdefs.h <<_ACEOF -@@ -6562,23 +6220,17 @@ - - if test "x$ac_cv_fc_dummy_main" = "x$ac_cv_f77_dummy_main"; then - --cat >>confdefs.h <<\_ACEOF --#define FC_DUMMY_MAIN_EQ_F77 1 --_ACEOF -+$as_echo "#define FC_DUMMY_MAIN_EQ_F77 1" >>confdefs.h - - fi - fi - else -- { { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+ { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 - $as_echo "$as_me: error: in \`$ac_pwd':" >&2;} --{ { $as_echo "$as_me:$LINENO: error: linking to Fortran libraries from C fails --See \`config.log' for more details." >&5 --$as_echo "$as_me: error: linking to Fortran libraries from C fails --See \`config.log' for more details." >&2;} -- { (exit 1); exit 1; }; }; } -+as_fn_error $? "linking to Fortran libraries from C fails -+See \`config.log' for more details" "$LINENO" 5; } - fi - -- - ac_ext=c - ac_cpp='$CPP $CPPFLAGS' - ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -@@ -6589,12 +6241,12 @@ - ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' - ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' - ac_compiler_gnu=$ac_cv_f77_compiler_gnu --{ $as_echo "$as_me:$LINENO: checking for Fortran 77 name-mangling scheme" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for Fortran 77 name-mangling scheme" >&5 - $as_echo_n "checking for Fortran 77 name-mangling scheme... " >&6; } --if test "${ac_cv_f77_mangling+set}" = set; then -+if ${ac_cv_f77_mangling+:} false; then : - $as_echo_n "(cached) " >&6 - else -- cat >conftest.$ac_ext <<_ACEOF -+ cat > conftest.$ac_ext <<_ACEOF - subroutine foobar() - return - end -@@ -6602,24 +6254,7 @@ - return - end - _ACEOF --rm -f conftest.$ac_objext --if { (ac_try="$ac_compile" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_compile") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest.$ac_objext; then -+if ac_fn_f77_try_compile "$LINENO"; then : - mv conftest.$ac_objext cfortran_test.$ac_objext - - ac_save_LIBS=$LIBS -@@ -6634,11 +6269,7 @@ - for ac_foobar in foobar FOOBAR; do - for ac_underscore in "" "_"; do - ac_func="$ac_foobar$ac_underscore" -- cat >conftest.$ac_ext <<_ACEOF --/* confdefs.h. */ --_ACEOF --cat confdefs.h >>conftest.$ac_ext --cat >>conftest.$ac_ext <<_ACEOF -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext - /* end confdefs.h. */ - - /* Override any GCC internal prototype to avoid an error. -@@ -6664,38 +6295,11 @@ - return 0; - } - _ACEOF --rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_c_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+if ac_fn_c_try_link "$LINENO"; then : - ac_success=yes; break 2 --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext conftest.$ac_ext -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext conftest.$ac_ext - done - done - ac_ext=f -@@ -6723,11 +6327,7 @@ - ac_success_extra=no - for ac_extra in "" "_"; do - ac_func="$ac_foo_bar$ac_underscore$ac_extra" -- cat >conftest.$ac_ext <<_ACEOF --/* confdefs.h. */ --_ACEOF --cat confdefs.h >>conftest.$ac_ext --cat >>conftest.$ac_ext <<_ACEOF -+ cat confdefs.h - <<_ACEOF >conftest.$ac_ext - /* end confdefs.h. */ - - /* Override any GCC internal prototype to avoid an error. -@@ -6753,38 +6353,11 @@ - return 0; - } - _ACEOF --rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_c_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+if ac_fn_c_try_link "$LINENO"; then : - ac_success_extra=yes; break --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext conftest.$ac_ext -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext conftest.$ac_ext - done - ac_ext=f - ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -@@ -6793,16 +6366,16 @@ - - if test "$ac_success_extra" = "yes"; then - ac_cv_f77_mangling="$ac_case case" -- if test -z "$ac_underscore"; then -- ac_cv_f77_mangling="$ac_cv_f77_mangling, no underscore" -+ if test -z "$ac_underscore"; then -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, no underscore" - else -- ac_cv_f77_mangling="$ac_cv_f77_mangling, underscore" -- fi -- if test -z "$ac_extra"; then -- ac_cv_f77_mangling="$ac_cv_f77_mangling, no extra underscore" -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, underscore" -+ fi -+ if test -z "$ac_extra"; then -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, no extra underscore" - else -- ac_cv_f77_mangling="$ac_cv_f77_mangling, extra underscore" -- fi -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, extra underscore" -+ fi - else - ac_cv_f77_mangling="unknown" - fi -@@ -6814,22 +6387,15 @@ - rm -rf conftest* - rm -f cfortran_test* - else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- { { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+ { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 - $as_echo "$as_me: error: in \`$ac_pwd':" >&2;} --{ { $as_echo "$as_me:$LINENO: error: cannot compile a simple Fortran program --See \`config.log' for more details." >&5 --$as_echo "$as_me: error: cannot compile a simple Fortran program --See \`config.log' for more details." >&2;} -- { (exit 1); exit 1; }; }; } -+as_fn_error $? "cannot compile a simple Fortran program -+See \`config.log' for more details" "$LINENO" 5; } - fi -- - rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext - - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_f77_mangling" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_f77_mangling" >&5 - $as_echo "$ac_cv_f77_mangling" >&6; } - - ac_ext=c -@@ -6841,7 +6407,7 @@ - - - # Check whether --enable-wrappers was given. --if test "${enable_wrappers+set}" = set; then -+if test "${enable_wrappers+set}" = set; then : - enableval=$enable_wrappers; if test "$enableval" = "yes" ; then - check_wrappers=1 - else -@@ -6858,85 +6424,51 @@ - ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' - ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' - ac_compiler_gnu=$ac_cv_f77_compiler_gnu -- -- - case $ac_cv_f77_mangling in - "lower case, no underscore, no extra underscore") -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC(name,NAME) name --_ACEOF -+ $as_echo "#define F77_FUNC(name,NAME) name" >>confdefs.h - -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC_(name,NAME) name --_ACEOF -+ $as_echo "#define F77_FUNC_(name,NAME) name" >>confdefs.h - ;; - "lower case, no underscore, extra underscore") -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC(name,NAME) name --_ACEOF -+ $as_echo "#define F77_FUNC(name,NAME) name" >>confdefs.h - -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC_(name,NAME) name ## _ --_ACEOF -+ $as_echo "#define F77_FUNC_(name,NAME) name ## _" >>confdefs.h - ;; - "lower case, underscore, no extra underscore") -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC(name,NAME) name ## _ --_ACEOF -+ $as_echo "#define F77_FUNC(name,NAME) name ## _" >>confdefs.h - -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC_(name,NAME) name ## _ --_ACEOF -+ $as_echo "#define F77_FUNC_(name,NAME) name ## _" >>confdefs.h - ;; - "lower case, underscore, extra underscore") -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC(name,NAME) name ## _ --_ACEOF -+ $as_echo "#define F77_FUNC(name,NAME) name ## _" >>confdefs.h - -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC_(name,NAME) name ## __ --_ACEOF -+ $as_echo "#define F77_FUNC_(name,NAME) name ## __" >>confdefs.h - ;; - "upper case, no underscore, no extra underscore") -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC(name,NAME) NAME --_ACEOF -+ $as_echo "#define F77_FUNC(name,NAME) NAME" >>confdefs.h - -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC_(name,NAME) NAME --_ACEOF -+ $as_echo "#define F77_FUNC_(name,NAME) NAME" >>confdefs.h - ;; - "upper case, no underscore, extra underscore") -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC(name,NAME) NAME --_ACEOF -+ $as_echo "#define F77_FUNC(name,NAME) NAME" >>confdefs.h - -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC_(name,NAME) NAME ## _ --_ACEOF -+ $as_echo "#define F77_FUNC_(name,NAME) NAME ## _" >>confdefs.h - ;; - "upper case, underscore, no extra underscore") -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC(name,NAME) NAME ## _ --_ACEOF -+ $as_echo "#define F77_FUNC(name,NAME) NAME ## _" >>confdefs.h - -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC_(name,NAME) NAME ## _ --_ACEOF -+ $as_echo "#define F77_FUNC_(name,NAME) NAME ## _" >>confdefs.h - ;; - "upper case, underscore, extra underscore") -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC(name,NAME) NAME ## _ --_ACEOF -+ $as_echo "#define F77_FUNC(name,NAME) NAME ## _" >>confdefs.h - -- cat >>confdefs.h <<\_ACEOF --#define F77_FUNC_(name,NAME) NAME ## __ --_ACEOF -+ $as_echo "#define F77_FUNC_(name,NAME) NAME ## __" >>confdefs.h - ;; - *) -- { $as_echo "$as_me:$LINENO: WARNING: unknown Fortran name-mangling scheme" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: unknown Fortran name-mangling scheme" >&5 - $as_echo "$as_me: WARNING: unknown Fortran name-mangling scheme" >&2;} -- ;; -+ ;; - esac - - ac_ext=c -@@ -6972,7 +6504,7 @@ - - - # Check whether --with-internal-blas was given. --if test "${with_internal_blas+set}" = set; then -+if test "${with_internal_blas+set}" = set; then : - withval=$with_internal_blas; if test "$withval" = "yes" ; then - use_internal_blas=1 - else -@@ -7021,13 +6553,13 @@ - LIBS="" - - if test "$use_openmp" -eq 0; then -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7039,67 +6571,40 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_lapack=1 - have_acml=1 blas_libs="$try_loption $LIBS" - fi - - else -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7111,54 +6616,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_lapack=1 - have_acml=1 blas_libs="$try_loption $LIBS" -@@ -7193,13 +6671,13 @@ - LIBS="$MKL_LIBS" - - if test "$use_openmp" -eq 0; then -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7211,54 +6689,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core -ldl $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -@@ -7268,13 +6719,13 @@ - fi - - else -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7286,54 +6737,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core -ldl -lpthread -lm $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_core -lmkl_pgi_thread" -@@ -7365,13 +6789,13 @@ - LIBS="" - - if test "$use_openmp" -eq 0; then -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7383,67 +6807,40 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_lapack=1 - have_acml=1 blas_libs="$try_loption $LIBS" - fi - - else -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7455,54 +6852,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_lapack=1 - have_acml=1 blas_libs="$try_loption $LIBS" -@@ -7541,13 +6911,13 @@ - # - if test "$use_openmp" -eq 0; then - if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7559,54 +6929,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -@@ -7616,13 +6959,13 @@ - fi - - else -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7634,54 +6977,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -@@ -7693,13 +7009,13 @@ - fi - else - if test "$f90" = "g95" -o"$f90" = "gfortran"; then -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7711,54 +7027,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -- ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_gnu_thread -lmkl_core" -@@ -7768,13 +7057,13 @@ - fi - - else -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7786,54 +7075,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core" -@@ -7872,13 +7134,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags $try_loption" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7890,54 +7152,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_lapack=1 - blas_libs="$try_loption $LIBS" -@@ -7974,13 +7209,13 @@ - # - if test "$use_openmp" -eq 0; then - if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -7992,54 +7227,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -@@ -8049,13 +7257,13 @@ - fi - - else -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -8067,54 +7275,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -@@ -8126,13 +7307,13 @@ - fi - else - if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -8144,54 +7325,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_gnu_thread -lmkl_core" -@@ -8201,13 +7355,13 @@ - fi - - else -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -8219,54 +7373,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core" -@@ -8309,13 +7436,13 @@ - # - if test "$use_openmp" -eq 0; then - if test "$f90" = "g95" -o "$f90" = "gfortran"; then -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -8327,54 +7454,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -@@ -8384,13 +7484,13 @@ - fi - - else -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -8402,54 +7502,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -@@ -8461,13 +7534,13 @@ - fi - else - if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -8479,54 +7552,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_gnu_thread -lmkl_core" -@@ -8536,13 +7582,13 @@ - fi - - else -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -8554,54 +7600,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core" -@@ -8624,13 +7643,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -8642,54 +7661,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 - blas_libs="$LIBS" -@@ -8716,13 +7708,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -8734,54 +7726,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_lapack=1 - blas_libs="-xlic_lib=sunperf $LIBS" -@@ -8805,13 +7770,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags $try_loption" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -8823,54 +7788,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 - blas_libs="$try_loption $LIBS" -@@ -8886,13 +7824,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -8902,56 +7840,29 @@ - ac_res="none required" - else - ac_res=-l$ac_lib -- LIBS="-l$ac_lib $ac_func_search_save_LIBS" -- fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -- ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dgemm=$ac_res - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 - blas_libs="$LIBS" -@@ -9028,13 +7939,13 @@ - # First, a by-the-apple-book search of MKL... >10.2 requires multiple libraries - # 64 bit is buggy as of 11.1.088 - if test "$use_openmp" -eq 0; then -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -9046,54 +7957,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_sequential -lmkl_core -lpthread $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core -lpthread" -@@ -9103,13 +7987,13 @@ - fi - - else -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -9121,54 +8005,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmkl_intel_thread -lmkl_core -openmp -lpthread $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_mkl=1 - blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core -openmp -lpthread" -@@ -9196,13 +8053,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -9214,54 +8071,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 blas_libs="$LIBS" - fi -@@ -9289,13 +8119,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags $try_loption" - LIBS="-latlas" -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -9307,54 +8137,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lg2c $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 have_atlas=1 - blas_libs="$try_loption $LIBS" -@@ -9386,13 +8189,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags $try_loption" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dgemm" >&5 - $as_echo_n "checking for library containing dgemm... " >&6; } --if test "${ac_cv_search_dgemm+set}" = set; then -+if ${ac_cv_search_dgemm+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dgemm - end -@@ -9404,54 +8207,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dgemm=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dgemm+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dgemm+:} false; then : - break - fi - done --if test "${ac_cv_search_dgemm+set}" = set; then -- : -+if ${ac_cv_search_dgemm+:} false; then : -+ - else - ac_cv_search_dgemm=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dgemm" >&5 - $as_echo "$ac_cv_search_dgemm" >&6; } - ac_res=$ac_cv_search_dgemm --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_blas=1 - blas_libs="$try_loption $LIBS" -@@ -9513,7 +8289,7 @@ - - - # Check whether --with-internal-lapack was given. --if test "${with_internal_lapack+set}" = set; then -+if test "${with_internal_lapack+set}" = set; then : - withval=$with_internal_lapack; if test "$withval" = "yes" ; then - use_internal_lapack=1 - else -@@ -9547,13 +8323,13 @@ - FFLAGS="$test_fflags" - LIBS=" $blas_libs" - LDFLAGS="$MKL_FLAGS $test_ldflags" -- { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 - $as_echo_n "checking for library containing dspev... " >&6; } --if test "${ac_cv_search_dspev+set}" = set; then -+if ${ac_cv_search_dspev+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dspev - end -@@ -9565,54 +8341,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dspev=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dspev+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : - break - fi - done --if test "${ac_cv_search_dspev+set}" = set; then -- : -+if ${ac_cv_search_dspev+:} false; then : -+ - else - ac_cv_search_dspev=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 - $as_echo "$ac_cv_search_dspev" >&6; } - ac_res=$ac_cv_search_dspev --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_lapack=1 - fi -@@ -9627,13 +8376,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags" - LIBS="$blas_libs" -- { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 - $as_echo_n "checking for library containing dspev... " >&6; } --if test "${ac_cv_search_dspev+set}" = set; then -+if ${ac_cv_search_dspev+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dspev - end -@@ -9645,54 +8394,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dspev=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dspev+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : - break - fi - done --if test "${ac_cv_search_dspev+set}" = set; then -- : -+if ${ac_cv_search_dspev+:} false; then : -+ - else - ac_cv_search_dspev=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 - $as_echo "$ac_cv_search_dspev" >&6; } - ac_res=$ac_cv_search_dspev --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_lapack=1 - lapack_libs="-xlic_lib=sunperf $LIBS" -@@ -9705,13 +8427,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags" - LIBS="$blas_libs" -- { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 - $as_echo_n "checking for library containing dspev... " >&6; } --if test "${ac_cv_search_dspev+set}" = set; then -+if ${ac_cv_search_dspev+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dspev - end -@@ -9723,54 +8445,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dspev=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dspev+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : - break - fi - done --if test "${ac_cv_search_dspev+set}" = set; then -- : -+if ${ac_cv_search_dspev+:} false; then : -+ - else - ac_cv_search_dspev=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 - $as_echo "$ac_cv_search_dspev" >&6; } - ac_res=$ac_cv_search_dspev --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_lapack=1 - lapack_libs="$try_loption $LIBS" -@@ -9786,13 +8481,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags" - LIBS="$blas_libs" -- { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 - $as_echo_n "checking for library containing dspev... " >&6; } --if test "${ac_cv_search_dspev+set}" = set; then -+if ${ac_cv_search_dspev+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dspev - end -@@ -9804,54 +8499,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dspev=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dspev+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : - break - fi - done --if test "${ac_cv_search_dspev+set}" = set; then -- : -+if ${ac_cv_search_dspev+:} false; then : -+ - else - ac_cv_search_dspev=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 - $as_echo "$ac_cv_search_dspev" >&6; } - ac_res=$ac_cv_search_dspev --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_lapack=1 - lapack_libs="$try_loption $LIBS" -@@ -9879,13 +8547,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags $try_loption $blas_libs" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 - $as_echo_n "checking for library containing dspev... " >&6; } --if test "${ac_cv_search_dspev+set}" = set; then -+if ${ac_cv_search_dspev+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dspev - end -@@ -9897,54 +8565,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dspev=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dspev+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : - break - fi - done --if test "${ac_cv_search_dspev+set}" = set; then -- : -+if ${ac_cv_search_dspev+:} false; then : -+ - else - ac_cv_search_dspev=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 - $as_echo "$ac_cv_search_dspev" >&6; } - ac_res=$ac_cv_search_dspev --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_lapack=1 - lapack_libs="$try_loption $LIBS" -@@ -9975,13 +8616,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags $try_loption" - LIBS="$blas_libs" -- { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dspev" >&5 - $as_echo_n "checking for library containing dspev... " >&6; } --if test "${ac_cv_search_dspev+set}" = set; then -+if ${ac_cv_search_dspev+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dspev - end -@@ -9993,54 +8634,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dspev=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dspev+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dspev+:} false; then : - break - fi - done --if test "${ac_cv_search_dspev+set}" = set; then -- : -+if ${ac_cv_search_dspev+:} false; then : -+ - else - ac_cv_search_dspev=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dspev" >&5 - $as_echo "$ac_cv_search_dspev" >&6; } - ac_res=$ac_cv_search_dspev --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_lapack=1 - lapack_libs="$try_loption $LIBS" -@@ -10097,7 +8711,7 @@ - - have_fft=0 - -- { $as_echo "$as_me:$LINENO: checking FFT" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking FFT" >&5 - $as_echo_n "checking FFT... " >&6; } - - # check for FFT libraries (no check for explicit openmp) -@@ -10119,13 +8733,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags" - LIBS="$fft_libs" -- { $as_echo "$as_me:$LINENO: checking for library containing dcft" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dcft" >&5 - $as_echo_n "checking for library containing dcft... " >&6; } --if test "${ac_cv_search_dcft+set}" = set; then -+if ${ac_cv_search_dcft+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dcft - end -@@ -10137,54 +8751,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dcft=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dcft+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dcft+:} false; then : - break - fi - done --if test "${ac_cv_search_dcft+set}" = set; then -- : -+if ${ac_cv_search_dcft+:} false; then : -+ - else - ac_cv_search_dcft=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dcft" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dcft" >&5 - $as_echo "$ac_cv_search_dcft" >&6; } - ac_res=$ac_cv_search_dcft --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_fft=1 fft_libs="$LIBS" - fi -@@ -10196,13 +8783,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags" - LIBS="$fft_libs" -- { $as_echo "$as_me:$LINENO: checking for library containing dcft" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dcft" >&5 - $as_echo_n "checking for library containing dcft... " >&6; } --if test "${ac_cv_search_dcft+set}" = set; then -+if ${ac_cv_search_dcft+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dcft - end -@@ -10214,54 +8801,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dcft=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dcft+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dcft+:} false; then : - break - fi - done --if test "${ac_cv_search_dcft+set}" = set; then -- : -+if ${ac_cv_search_dcft+:} false; then : -+ - else - ac_cv_search_dcft=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dcft" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dcft" >&5 - $as_echo "$ac_cv_search_dcft" >&6; } - ac_res=$ac_cv_search_dcft --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_fft=1 fft_libs="$LIBS" - fi -@@ -10273,13 +8833,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags" - LIBS="$fft_libs $blas_libs" -- { $as_echo "$as_me:$LINENO: checking for library containing dcft" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dcft" >&5 - $as_echo_n "checking for library containing dcft... " >&6; } --if test "${ac_cv_search_dcft+set}" = set; then -+if ${ac_cv_search_dcft+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dcft - end -@@ -10291,54 +8851,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -- ac_cv_search_dcft=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- -+ if ac_fn_f77_try_link "$LINENO"; then : -+ ac_cv_search_dcft=$ac_res - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dcft+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dcft+:} false; then : - break - fi - done --if test "${ac_cv_search_dcft+set}" = set; then -- : -+if ${ac_cv_search_dcft+:} false; then : -+ - else - ac_cv_search_dcft=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dcft" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dcft" >&5 - $as_echo "$ac_cv_search_dcft" >&6; } - ac_res=$ac_cv_search_dcft --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_fft=1 fft_libs="$LIBS" - fi -@@ -10351,13 +8884,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags" - LIBS="$libs" -- { $as_echo "$as_me:$LINENO: checking for library containing zfft3i" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing zfft3i" >&5 - $as_echo_n "checking for library containing zfft3i... " >&6; } --if test "${ac_cv_search_zfft3i+set}" = set; then -+if ${ac_cv_search_zfft3i+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call zfft3i - end -@@ -10369,54 +8902,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_zfft3i=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_zfft3i+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_zfft3i+:} false; then : - break - fi - done --if test "${ac_cv_search_zfft3i+set}" = set; then -- : -+if ${ac_cv_search_zfft3i+:} false; then : -+ - else - ac_cv_search_zfft3i=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_zfft3i" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_zfft3i" >&5 - $as_echo "$ac_cv_search_zfft3i" >&6; } - ac_res=$ac_cv_search_zfft3i --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_fft=1 - try_dflags="$try_dflags -D__SUNPERF" -@@ -10446,13 +8952,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags $try_loption" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing zftfax" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing zftfax" >&5 - $as_echo_n "checking for library containing zftfax... " >&6; } --if test "${ac_cv_search_zftfax+set}" = set; then -+if ${ac_cv_search_zftfax+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call zftfax - end -@@ -10464,54 +8970,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_zftfax=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_zftfax+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_zftfax+:} false; then : - break - fi - done --if test "${ac_cv_search_zftfax+set}" = set; then -- : -+if ${ac_cv_search_zftfax+:} false; then : -+ - else - ac_cv_search_zftfax=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_zftfax" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_zftfax" >&5 - $as_echo "$ac_cv_search_zftfax" >&6; } - ac_res=$ac_cv_search_zftfax --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_fft=1 - try_dflags="$try_dflags try_dflags_fft_mathkeisan" -@@ -10541,13 +9020,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags $try_loption" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing zfc3cl" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing zfc3cl" >&5 - $as_echo_n "checking for library containing zfc3cl... " >&6; } --if test "${ac_cv_search_zfc3cl+set}" = set; then -+if ${ac_cv_search_zfc3cl+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call zfc3cl - end -@@ -10559,54 +9038,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_zfc3cl=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_zfc3cl+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_zfc3cl+:} false; then : - break - fi - done --if test "${ac_cv_search_zfc3cl+set}" = set; then -- : -+if ${ac_cv_search_zfc3cl+:} false; then : -+ - else - ac_cv_search_zfc3cl=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_zfc3cl" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_zfc3cl" >&5 - $as_echo "$ac_cv_search_zfc3cl" >&6; } - ac_res=$ac_cv_search_zfc3cl --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_fft=1 - asl_libs="$try_loption $LIBS" -@@ -10648,13 +9100,13 @@ - CPPFLAGS="$test_cppflags" - LDFLAGS="$c_ldflags $try_loption" - LIBS="$fft_libs" -- { $as_echo "$as_me:$LINENO: checking for library containing dfftw_execute_dft" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing dfftw_execute_dft" >&5 - $as_echo_n "checking for library containing dfftw_execute_dft... " >&6; } --if test "${ac_cv_search_dfftw_execute_dft+set}" = set; then -+if ${ac_cv_search_dfftw_execute_dft+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call dfftw_execute_dft - end -@@ -10666,54 +9118,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lm $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_dfftw_execute_dft=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_dfftw_execute_dft+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_dfftw_execute_dft+:} false; then : - break - fi - done --if test "${ac_cv_search_dfftw_execute_dft+set}" = set; then -- : -+if ${ac_cv_search_dfftw_execute_dft+:} false; then : -+ - else - ac_cv_search_dfftw_execute_dft=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dfftw_execute_dft" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_dfftw_execute_dft" >&5 - $as_echo "$ac_cv_search_dfftw_execute_dft" >&6; } - ac_res=$ac_cv_search_dfftw_execute_dft --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_fft=1 - fft_libs="$try_loption $LIBS" -@@ -10728,7 +9153,7 @@ - - fi - -- { $as_echo "$as_me:$LINENO: result: ${fft_libs}" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${fft_libs}" >&5 - $as_echo "${fft_libs}" >&6; } - - fft_line="FFT_LIBS=$fft_libs" -@@ -10756,7 +9181,7 @@ - # Checking for IBM MASS library... - - -- { $as_echo "$as_me:$LINENO: checking MASS" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking MASS" >&5 - $as_echo_n "checking MASS... " >&6; } - - # check for mass on aix -@@ -10785,13 +9210,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags $try_loption" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing vexp" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing vexp" >&5 - $as_echo_n "checking for library containing vexp... " >&6; } --if test "${ac_cv_search_vexp+set}" = set; then -+if ${ac_cv_search_vexp+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call vexp - end -@@ -10803,54 +9228,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmass $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_vexp=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_vexp+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_vexp+:} false; then : - break - fi - done --if test "${ac_cv_search_vexp+set}" = set; then -- : -+if ${ac_cv_search_vexp+:} false; then : -+ - else - ac_cv_search_vexp=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_vexp" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_vexp" >&5 - $as_echo "$ac_cv_search_vexp" >&6; } - ac_res=$ac_cv_search_vexp --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - - fi -@@ -10880,13 +9278,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags $try_loption" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing vexp" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing vexp" >&5 - $as_echo_n "checking for library containing vexp... " >&6; } --if test "${ac_cv_search_vexp+set}" = set; then -+if ${ac_cv_search_vexp+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call vexp - end -@@ -10898,54 +9296,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmass_simd $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_vexp=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_vexp+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_vexp+:} false; then : - break - fi - done --if test "${ac_cv_search_vexp+set}" = set; then -- : -+if ${ac_cv_search_vexp+:} false; then : -+ - else - ac_cv_search_vexp=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_vexp" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_vexp" >&5 - $as_echo "$ac_cv_search_vexp" >&6; } - ac_res=$ac_cv_search_vexp --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - - fi -@@ -10975,13 +9346,13 @@ - FFLAGS="$test_fflags" - LDFLAGS="$test_ldflags $try_loption" - LIBS="" -- { $as_echo "$as_me:$LINENO: checking for library containing vexp" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing vexp" >&5 - $as_echo_n "checking for library containing vexp... " >&6; } --if test "${ac_cv_search_vexp+set}" = set; then -+if ${ac_cv_search_vexp+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call vexp - end -@@ -10993,54 +9364,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib -lmass_64 $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_vexp=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_vexp+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_vexp+:} false; then : - break - fi - done --if test "${ac_cv_search_vexp+set}" = set; then -- : -+if ${ac_cv_search_vexp+:} false; then : -+ - else - ac_cv_search_vexp=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_vexp" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_vexp" >&5 - $as_echo "$ac_cv_search_vexp" >&6; } - ac_res=$ac_cv_search_vexp --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - - fi -@@ -11074,7 +9418,7 @@ - mass_line="@delete@" - fi - -- { $as_echo "$as_me:$LINENO: result: ${mass_libs}" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${mass_libs}" >&5 - $as_echo "${mass_libs}" >&6; } - - -@@ -11104,13 +9448,13 @@ - unset ac_cv_search_mpi_init # clear cached value - LDFLAGS="$test_ldflags" - LIBS="$mpi_libs" -- { $as_echo "$as_me:$LINENO: checking for library containing mpi_init" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing mpi_init" >&5 - $as_echo_n "checking for library containing mpi_init... " >&6; } --if test "${ac_cv_search_mpi_init+set}" = set; then -+if ${ac_cv_search_mpi_init+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call mpi_init - end -@@ -11122,54 +9466,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_mpi_init=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_mpi_init+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_mpi_init+:} false; then : - break - fi - done --if test "${ac_cv_search_mpi_init+set}" = set; then -- : -+if ${ac_cv_search_mpi_init+:} false; then : -+ - else - ac_cv_search_mpi_init=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_mpi_init" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_mpi_init" >&5 - $as_echo "$ac_cv_search_mpi_init" >&6; } - ac_res=$ac_cv_search_mpi_init --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_mpi=1 parallel=1 mpi_libs="$LIBS" try_dflags="$try_dflags -D__MPI -D__PARA" - fi -@@ -11215,7 +9532,7 @@ - - - # Check whether --with-scalapack was given. --if test "${with_scalapack+set}" = set; then -+if test "${with_scalapack+set}" = set; then : - withval=$with_scalapack; if test "$withval" = "yes" ; then - with_scalapack=1 - elif test "$withval" = "intel" ; then -@@ -11240,13 +9557,13 @@ - test "$with_scalapack" -eq 0 && break - if test "$scalapack_libs" = "" ; then - # no additional libraries needed -- { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 - $as_echo_n "checking for library containing pdgemr2d... " >&6; } --if test "${ac_cv_search_pdgemr2d+set}" = set; then -+if ${ac_cv_search_pdgemr2d+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call pdgemr2d - end -@@ -11258,54 +9575,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_pdgemr2d=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_pdgemr2d+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : - break - fi - done --if test "${ac_cv_search_pdgemr2d+set}" = set; then -- : -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ - else - ac_cv_search_pdgemr2d=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 - $as_echo "$ac_cv_search_pdgemr2d" >&6; } - ac_res=$ac_cv_search_pdgemr2d --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_scalapack=1 - try_dflags="$try_dflags -D__SCALAPACK" -@@ -11322,13 +9612,13 @@ - else - scalapack_libs=-lmkl_blacs_intelmpi_lp64 - fi -- { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 - $as_echo_n "checking for library containing pdgemr2d... " >&6; } --if test "${ac_cv_search_pdgemr2d+set}" = set; then -+if ${ac_cv_search_pdgemr2d+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call pdgemr2d - end -@@ -11340,54 +9630,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_pdgemr2d=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_pdgemr2d+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : - break - fi - done --if test "${ac_cv_search_pdgemr2d+set}" = set; then -- : -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ - else - ac_cv_search_pdgemr2d=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 - $as_echo "$ac_cv_search_pdgemr2d" >&6; } - ac_res=$ac_cv_search_pdgemr2d --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_scalapack=1 - try_dflags="$try_dflags -D__SCALAPACK" -@@ -11401,13 +9664,13 @@ - unset ac_cv_search_pdgemr2d # clear cached value - scalapack_libs="-lsci" - LIBS="$mpi_libs $scalapack_libs" -- { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 - $as_echo_n "checking for library containing pdgemr2d... " >&6; } --if test "${ac_cv_search_pdgemr2d+set}" = set; then -+if ${ac_cv_search_pdgemr2d+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call pdgemr2d - end -@@ -11419,54 +9682,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_pdgemr2d=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_pdgemr2d+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : - break - fi - done --if test "${ac_cv_search_pdgemr2d+set}" = set; then -- : -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ - else - ac_cv_search_pdgemr2d=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 - $as_echo "$ac_cv_search_pdgemr2d" >&6; } - ac_res=$ac_cv_search_pdgemr2d --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_scalapack=1 - try_dflags="$try_dflags -D__SCALAPACK" -@@ -11478,13 +9714,13 @@ - scalapack_libs="-lscalapack" - LIBS="$mpi_libs $scalapack_libs" - LDFLAGS="" -- { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 - $as_echo_n "checking for library containing pdgemr2d... " >&6; } --if test "${ac_cv_search_pdgemr2d+set}" = set; then -+if ${ac_cv_search_pdgemr2d+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call pdgemr2d - end -@@ -11496,54 +9732,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_pdgemr2d=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_pdgemr2d+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : - break - fi - done --if test "${ac_cv_search_pdgemr2d+set}" = set; then -- : -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ - else - ac_cv_search_pdgemr2d=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 - $as_echo "$ac_cv_search_pdgemr2d" >&6; } - ac_res=$ac_cv_search_pdgemr2d --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_scalapack=1 - try_dflags="$try_dflags -D__SCALAPACK" -@@ -11556,13 +9765,13 @@ - scalapack_libs="-lscalapack $blacs_libs" - LIBS="$mpi_libs $scalapack_libs" - LDFLAGS="" -- { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 - $as_echo_n "checking for library containing pdgemr2d... " >&6; } --if test "${ac_cv_search_pdgemr2d+set}" = set; then -+if ${ac_cv_search_pdgemr2d+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call pdgemr2d - end -@@ -11574,54 +9783,27 @@ - ac_res=-l$ac_lib - LIBS="-l$ac_lib $ac_func_search_save_LIBS" - fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_pdgemr2d=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_pdgemr2d+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : - break - fi - done --if test "${ac_cv_search_pdgemr2d+set}" = set; then -- : -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ - else - ac_cv_search_pdgemr2d=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 - $as_echo "$ac_cv_search_pdgemr2d" >&6; } - ac_res=$ac_cv_search_pdgemr2d --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_scalapack=1 - try_dflags="$try_dflags -D__SCALAPACK" -@@ -11636,72 +9818,45 @@ - scalapack_libs="-L$scalapack_dir -lscalapack $blacs_libs" - LIBS="$mpi_libs $scalapack_libs" - LDFLAGS="" -- { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking for library containing pdgemr2d" >&5 - $as_echo_n "checking for library containing pdgemr2d... " >&6; } --if test "${ac_cv_search_pdgemr2d+set}" = set; then -+if ${ac_cv_search_pdgemr2d+:} false; then : - $as_echo_n "(cached) " >&6 - else - ac_func_search_save_LIBS=$LIBS --cat >conftest.$ac_ext <<_ACEOF -+cat > conftest.$ac_ext <<_ACEOF - program main - call pdgemr2d - end --_ACEOF --for ac_lib in '' "" ; do -- if test -z "$ac_lib"; then -- ac_res="none required" -- else -- ac_res=-l$ac_lib -- LIBS="-l$ac_lib $ac_func_search_save_LIBS" -- fi -- rm -f conftest.$ac_objext conftest$ac_exeext --if { (ac_try="$ac_link" --case "(($ac_try" in -- *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -- *) ac_try_echo=$ac_try;; --esac --eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" --$as_echo "$ac_try_echo") >&5 -- (eval "$ac_link") 2>conftest.er1 -- ac_status=$? -- grep -v '^ *+' conftest.er1 >conftest.err -- rm -f conftest.er1 -- cat conftest.err >&5 -- $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -- (exit $ac_status); } && { -- test -z "$ac_f77_werror_flag" || -- test ! -s conftest.err -- } && test -s conftest$ac_exeext && { -- test "$cross_compiling" = yes || -- $as_test_x conftest$ac_exeext -- }; then -+_ACEOF -+for ac_lib in '' "" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ if ac_fn_f77_try_link "$LINENO"; then : - ac_cv_search_pdgemr2d=$ac_res --else -- $as_echo "$as_me: failed program was:" >&5 --sed 's/^/| /' conftest.$ac_ext >&5 -- -- - fi -- --rm -rf conftest.dSYM --rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -- conftest$ac_exeext -- if test "${ac_cv_search_pdgemr2d+set}" = set; then -+rm -f core conftest.err conftest.$ac_objext \ -+ conftest$ac_exeext -+ if ${ac_cv_search_pdgemr2d+:} false; then : - break - fi - done --if test "${ac_cv_search_pdgemr2d+set}" = set; then -- : -+if ${ac_cv_search_pdgemr2d+:} false; then : -+ - else - ac_cv_search_pdgemr2d=no - fi - rm conftest.$ac_ext - LIBS=$ac_func_search_save_LIBS - fi --{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_search_pdgemr2d" >&5 - $as_echo "$ac_cv_search_pdgemr2d" >&6; } - ac_res=$ac_cv_search_pdgemr2d --if test "$ac_res" != no; then -+if test "$ac_res" != no; then : - test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" - have_scalapack=1 - try_dflags="$try_dflags -D__SCALAPACK" -@@ -11731,12 +9886,12 @@ - # Setting ELPA... - - -- { $as_echo "$as_me:$LINENO: checking ELPA" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking ELPA" >&5 - $as_echo_n "checking ELPA... " >&6; } - - - # Check whether --with-elpa was given. --if test "${with_elpa+set}" = set; then -+if test "${with_elpa+set}" = set; then : - withval=$with_elpa; if test "$withval" = "yes" ; then - with_elpa=1 - elif test "$withval" = "no" ; then -@@ -11774,18 +9929,86 @@ - elpa_libs_switch="enabled" - fi - -- { $as_echo "$as_me:$LINENO: result: ${elpa_libs}" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${elpa_libs}" >&5 - $as_echo "${elpa_libs}" >&6; } - - - - - -+# Setting HDF5... -+ -+ -+ { $as_echo "$as_me:${as_lineno-$LINENO}: checking HDF5" >&5 -+$as_echo_n "checking HDF5... " >&6; } -+ -+ -+# Check whether --with-hdf5 was given. -+if test "${with_hdf5+set}" = set; then : -+ withval=$with_hdf5; if test "$withval" = "yes" ; then -+ with_hdf5=1 -+ else -+ with_hdf5=0 -+ fi -+else -+ with_hdf5=0 -+fi -+ -+ -+hdf5_libs="" -+ -+cflags_c99="" -+ -+if test "$with_hdf5" -eq 1; then -+ CPPFLAGS="-I${hdf5_dir}/include" -+# LIBS="-L${hdf5_dir}/lib -lhdf5_fortran -lhdf5_hl -lhdf5" -+ LIBS="-L${hdf5_dir}/lib -lhdf5_hl -lhdf5" -+ echo $CPPFLAGS -+ echo $LIBS -+ ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ ac_fn_c_check_header_mongrel "$LINENO" "hdf5.h" "ac_cv_header_hdf5_h" "$ac_includes_default" -+if test "x$ac_cv_header_hdf5_h" = xyes; then : -+ have_hdf5=1 -+else -+ as_fn_error $? "Cannot find HDF5 header file." "$LINENO" 5 -+fi -+ -+ -+ if test "$have_hdf5" -eq 1 ; then -+ try_iflags="$try_iflags -I${hdf5_dir}/include" ; fi -+ ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ -+# unset ac_cv_search_h5pset_fapl_mpio_c # clear cached value -+# AC_SEARCH_LIBS(h5pset_fapl_mpio_c, "", have_hdf5=1, AC_MSG_ERROR(Cannot find parallel HDF5 Fortran library.)) -+ if test "$have_hdf5" -eq 1 ; then -+ try_dflags="$try_dflags -D__HDF5 -DH5_USE_16_API" -+ hdf5_libs="$LIBS" -+ else -+ hdf5_libs="" -+ fi -+ cflags_c99="-std=c99" -+fi -+ -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${hdf5_libs}" >&5 -+$as_echo "${hdf5_libs}" >&6; } -+ -+ -+ -+ -+ - # Checking SIGNAL... - - - # Check whether --enable-signals was given. --if test "${enable_signals+set}" = set; then -+if test "${enable_signals+set}" = set; then : - enableval=$enable_signals; if test "$enableval" = "yes" ; then - use_signals=1 - else -@@ -11824,9 +10047,9 @@ - then - # Extract the first word of "ranlib", so it can be a program name with args. - set dummy ranlib; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 - $as_echo_n "checking for $ac_word... " >&6; } --if test "${ac_cv_prog_ranlib+set}" = set; then -+if ${ac_cv_prog_ranlib+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test -n "$ranlib"; then -@@ -11837,14 +10060,14 @@ - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then - ac_cv_prog_ranlib="ranlib" -- $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi - done --done -+ done - IFS=$as_save_IFS - - test -z "$ac_cv_prog_ranlib" && ac_cv_prog_ranlib="echo" -@@ -11852,10 +10075,10 @@ - fi - ranlib=$ac_cv_prog_ranlib - if test -n "$ranlib"; then -- { $as_echo "$as_me:$LINENO: result: $ranlib" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ranlib" >&5 - $as_echo "$ranlib" >&6; } - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - fi - -@@ -11878,9 +10101,9 @@ - - # Extract the first word of "wget", so it can be a program name with args. - set dummy wget; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 - $as_echo_n "checking for $ac_word... " >&6; } --if test "${ac_cv_prog_wget+set}" = set; then -+if ${ac_cv_prog_wget+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test -n "$wget"; then -@@ -11891,24 +10114,24 @@ - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then - ac_cv_prog_wget="wget -O" -- $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi - done --done -+ done - IFS=$as_save_IFS - - fi - fi - wget=$ac_cv_prog_wget - if test -n "$wget"; then -- { $as_echo "$as_me:$LINENO: result: $wget" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $wget" >&5 - $as_echo "$wget" >&6; } - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - fi - -@@ -11916,9 +10139,9 @@ - if test "$wget" = ""; then - # Extract the first word of "curl", so it can be a program name with args. - set dummy curl; ac_word=$2 --{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 - $as_echo_n "checking for $ac_word... " >&6; } --if test "${ac_cv_prog_wget+set}" = set; then -+if ${ac_cv_prog_wget+:} false; then : - $as_echo_n "(cached) " >&6 - else - if test -n "$wget"; then -@@ -11929,24 +10152,24 @@ - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then - ac_cv_prog_wget="curl -o" -- $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi - done --done -+ done - IFS=$as_save_IFS - - fi - fi - wget=$ac_cv_prog_wget - if test -n "$wget"; then -- { $as_echo "$as_me:$LINENO: result: $wget" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: $wget" >&5 - $as_echo "$wget" >&6; } - else -- { $as_echo "$as_me:$LINENO: result: no" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 - $as_echo "no" >&6; } - fi - -@@ -11965,7 +10188,8 @@ - if test "$iflags" = "" ; then iflags="$try_iflags" ; fi - echo setting IFLAGS... $iflags - --# export sdditional ettings to generated files -+# export additional settings to generated files -+ - - - -@@ -12014,13 +10238,13 @@ - case $ac_val in #( - *${as_nl}*) - case $ac_var in #( -- *_cv_*) { $as_echo "$as_me:$LINENO: WARNING: cache variable $ac_var contains a newline" >&5 -+ *_cv_*) { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: cache variable $ac_var contains a newline" >&5 - $as_echo "$as_me: WARNING: cache variable $ac_var contains a newline" >&2;} ;; - esac - case $ac_var in #( - _ | IFS | as_nl) ;; #( - BASH_ARGV | BASH_SOURCE) eval $ac_var= ;; #( -- *) $as_unset $ac_var ;; -+ *) { eval $ac_var=; unset $ac_var;} ;; - esac ;; - esac - done -@@ -12028,8 +10252,8 @@ - (set) 2>&1 | - case $as_nl`(ac_space=' '; set) 2>&1` in #( - *${as_nl}ac_space=\ *) -- # `set' does not quote correctly, so add quotes (double-quote -- # substitution turns \\\\ into \\, and sed turns \\ into \). -+ # `set' does not quote correctly, so add quotes: double-quote -+ # substitution turns \\\\ into \\, and sed turns \\ into \. - sed -n \ - "s/'/'\\\\''/g; - s/^\\([_$as_cr_alnum]*_cv_[_$as_cr_alnum]*\\)=\\(.*\\)/\\1='\\2'/p" -@@ -12051,12 +10275,23 @@ - :end' >>confcache - if diff "$cache_file" confcache >/dev/null 2>&1; then :; else - if test -w "$cache_file"; then -- test "x$cache_file" != "x/dev/null" && -- { $as_echo "$as_me:$LINENO: updating cache $cache_file" >&5 -+ if test "x$cache_file" != "x/dev/null"; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: updating cache $cache_file" >&5 - $as_echo "$as_me: updating cache $cache_file" >&6;} -- cat confcache >$cache_file -+ if test ! -f "$cache_file" || test -h "$cache_file"; then -+ cat confcache >"$cache_file" -+ else -+ case $cache_file in #( -+ */* | ?:*) -+ mv -f confcache "$cache_file"$$ && -+ mv -f "$cache_file"$$ "$cache_file" ;; #( -+ *) -+ mv -f confcache "$cache_file" ;; -+ esac -+ fi -+ fi - else -- { $as_echo "$as_me:$LINENO: not updating unwritable cache $cache_file" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: not updating unwritable cache $cache_file" >&5 - $as_echo "$as_me: not updating unwritable cache $cache_file" >&6;} - fi - fi -@@ -12070,14 +10305,15 @@ - - ac_libobjs= - ac_ltlibobjs= -+U= - for ac_i in : $LIBOBJS; do test "x$ac_i" = x: && continue - # 1. Remove the extension, and $U if already installed. - ac_script='s/\$U\././;s/\.o$//;s/\.obj$//' - ac_i=`$as_echo "$ac_i" | sed "$ac_script"` - # 2. Prepend LIBOBJDIR. When used with automake>=1.10 LIBOBJDIR - # will be set to the directory where LIBOBJS objects are built. -- ac_libobjs="$ac_libobjs \${LIBOBJDIR}$ac_i\$U.$ac_objext" -- ac_ltlibobjs="$ac_ltlibobjs \${LIBOBJDIR}$ac_i"'$U.lo' -+ as_fn_append ac_libobjs " \${LIBOBJDIR}$ac_i\$U.$ac_objext" -+ as_fn_append ac_ltlibobjs " \${LIBOBJDIR}$ac_i"'$U.lo' - done - LIBOBJS=$ac_libobjs - -@@ -12085,13 +10321,14 @@ - - - --: ${CONFIG_STATUS=./config.status} -+: "${CONFIG_STATUS=./config.status}" - ac_write_fail=0 - ac_clean_files_save=$ac_clean_files - ac_clean_files="$ac_clean_files $CONFIG_STATUS" --{ $as_echo "$as_me:$LINENO: creating $CONFIG_STATUS" >&5 -+{ $as_echo "$as_me:${as_lineno-$LINENO}: creating $CONFIG_STATUS" >&5 - $as_echo "$as_me: creating $CONFIG_STATUS" >&6;} --cat >$CONFIG_STATUS <<_ACEOF || ac_write_fail=1 -+as_write_fail=0 -+cat >$CONFIG_STATUS <<_ASEOF || as_write_fail=1 - #! $SHELL - # Generated by $as_me. - # Run this file to recreate the current configuration. -@@ -12101,17 +10338,18 @@ - debug=false - ac_cs_recheck=false - ac_cs_silent=false --SHELL=\${CONFIG_SHELL-$SHELL} --_ACEOF - --cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1 --## --------------------- ## --## M4sh Initialization. ## --## --------------------- ## -+SHELL=\${CONFIG_SHELL-$SHELL} -+export SHELL -+_ASEOF -+cat >>$CONFIG_STATUS <<\_ASEOF || as_write_fail=1 -+## -------------------- ## -+## M4sh Initialization. ## -+## -------------------- ## - - # Be more Bourne compatible - DUALCASE=1; export DUALCASE # for MKS sh --if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then -+if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then : - emulate sh - NULLCMD=: - # Pre-4.2 versions of Zsh do word splitting on ${1+"$@"}, which -@@ -12119,23 +10357,15 @@ - alias -g '${1+"$@"}'='"$@"' - setopt NO_GLOB_SUBST - else -- case `(set -o) 2>/dev/null` in -- *posix*) set -o posix ;; -+ case `(set -o) 2>/dev/null` in #( -+ *posix*) : -+ set -o posix ;; #( -+ *) : -+ ;; - esac -- - fi - - -- -- --# PATH needs CR --# Avoid depending upon Character Ranges. --as_cr_letters='abcdefghijklmnopqrstuvwxyz' --as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ' --as_cr_Letters=$as_cr_letters$as_cr_LETTERS --as_cr_digits='0123456789' --as_cr_alnum=$as_cr_Letters$as_cr_digits -- - as_nl=' - ' - export as_nl -@@ -12143,7 +10373,13 @@ - as_echo='\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\' - as_echo=$as_echo$as_echo$as_echo$as_echo$as_echo - as_echo=$as_echo$as_echo$as_echo$as_echo$as_echo$as_echo --if (test "X`printf %s $as_echo`" = "X$as_echo") 2>/dev/null; then -+# Prefer a ksh shell builtin over an external printf program on Solaris, -+# but without wasting forks for bash or zsh. -+if test -z "$BASH_VERSION$ZSH_VERSION" \ -+ && (test "X`print -r -- $as_echo`" = "X$as_echo") 2>/dev/null; then -+ as_echo='print -r --' -+ as_echo_n='print -rn --' -+elif (test "X`printf %s $as_echo`" = "X$as_echo") 2>/dev/null; then - as_echo='printf %s\n' - as_echo_n='printf %s' - else -@@ -12154,7 +10390,7 @@ - as_echo_body='eval expr "X$1" : "X\\(.*\\)"' - as_echo_n_body='eval - arg=$1; -- case $arg in -+ case $arg in #( - *"$as_nl"*) - expr "X$arg" : "X\\(.*\\)$as_nl"; - arg=`expr "X$arg" : ".*$as_nl\\(.*\\)"`;; -@@ -12177,13 +10413,6 @@ - } - fi - --# Support unset when possible. --if ( (MAIL=60; unset MAIL) || exit) >/dev/null 2>&1; then -- as_unset=unset --else -- as_unset=false --fi -- - - # IFS - # We need space, tab and new line, in precisely that order. Quoting is -@@ -12193,15 +10422,16 @@ - IFS=" "" $as_nl" - - # Find who we are. Look in the path if we contain no directory separator. --case $0 in -+as_myself= -+case $0 in #(( - *[\\/]* ) as_myself=$0 ;; - *) as_save_IFS=$IFS; IFS=$PATH_SEPARATOR - for as_dir in $PATH - do - IFS=$as_save_IFS - test -z "$as_dir" && as_dir=. -- test -r "$as_dir/$0" && as_myself=$as_dir/$0 && break --done -+ test -r "$as_dir/$0" && as_myself=$as_dir/$0 && break -+ done - IFS=$as_save_IFS - - ;; -@@ -12213,12 +10443,16 @@ - fi - if test ! -f "$as_myself"; then - $as_echo "$as_myself: error: cannot find myself; rerun with an absolute file name" >&2 -- { (exit 1); exit 1; } -+ exit 1 - fi - --# Work around bugs in pre-3.0 UWIN ksh. --for as_var in ENV MAIL MAILPATH --do ($as_unset $as_var) >/dev/null 2>&1 && $as_unset $as_var -+# Unset variables that we do not need and which cause bugs (e.g. in -+# pre-3.0 UWIN ksh). But do not cause bugs in bash 2.01; the "|| exit 1" -+# suppresses any "Segmentation fault" message there. '((' could -+# trigger a bug in pdksh 5.2.14. -+for as_var in BASH_ENV ENV MAIL MAILPATH -+do eval test x\${$as_var+set} = xset \ -+ && ( (unset $as_var) || exit 1) >/dev/null 2>&1 && unset $as_var || : - done - PS1='$ ' - PS2='> ' -@@ -12230,7 +10464,89 @@ - LANGUAGE=C - export LANGUAGE - --# Required to use basename. -+# CDPATH. -+(unset CDPATH) >/dev/null 2>&1 && unset CDPATH -+ -+ -+# as_fn_error STATUS ERROR [LINENO LOG_FD] -+# ---------------------------------------- -+# Output "`basename $0`: error: ERROR" to stderr. If LINENO and LOG_FD are -+# provided, also output the error to LOG_FD, referencing LINENO. Then exit the -+# script with STATUS, using 1 if that was 0. -+as_fn_error () -+{ -+ as_status=$1; test $as_status -eq 0 && as_status=1 -+ if test "$4"; then -+ as_lineno=${as_lineno-"$3"} as_lineno_stack=as_lineno_stack=$as_lineno_stack -+ $as_echo "$as_me:${as_lineno-$LINENO}: error: $2" >&$4 -+ fi -+ $as_echo "$as_me: error: $2" >&2 -+ as_fn_exit $as_status -+} # as_fn_error -+ -+ -+# as_fn_set_status STATUS -+# ----------------------- -+# Set $? to STATUS, without forking. -+as_fn_set_status () -+{ -+ return $1 -+} # as_fn_set_status -+ -+# as_fn_exit STATUS -+# ----------------- -+# Exit the shell with STATUS, even in a "trap 0" or "set -e" context. -+as_fn_exit () -+{ -+ set +e -+ as_fn_set_status $1 -+ exit $1 -+} # as_fn_exit -+ -+# as_fn_unset VAR -+# --------------- -+# Portably unset VAR. -+as_fn_unset () -+{ -+ { eval $1=; unset $1;} -+} -+as_unset=as_fn_unset -+# as_fn_append VAR VALUE -+# ---------------------- -+# Append the text in VALUE to the end of the definition contained in VAR. Take -+# advantage of any shell optimizations that allow amortized linear growth over -+# repeated appends, instead of the typical quadratic growth present in naive -+# implementations. -+if (eval "as_var=1; as_var+=2; test x\$as_var = x12") 2>/dev/null; then : -+ eval 'as_fn_append () -+ { -+ eval $1+=\$2 -+ }' -+else -+ as_fn_append () -+ { -+ eval $1=\$$1\$2 -+ } -+fi # as_fn_append -+ -+# as_fn_arith ARG... -+# ------------------ -+# Perform arithmetic evaluation on the ARGs, and store the result in the -+# global $as_val. Take advantage of shells that can avoid forks. The arguments -+# must be portable across $(()) and expr. -+if (eval "test \$(( 1 + 1 )) = 2") 2>/dev/null; then : -+ eval 'as_fn_arith () -+ { -+ as_val=$(( $* )) -+ }' -+else -+ as_fn_arith () -+ { -+ as_val=`expr "$@" || test $? -eq 1` -+ } -+fi # as_fn_arith -+ -+ - if expr a : '\(a\)' >/dev/null 2>&1 && - test "X`expr 00001 : '.*\(...\)'`" = X001; then - as_expr=expr -@@ -12244,8 +10560,12 @@ - as_basename=false - fi - -+if (as_dir=`dirname -- /` && test "X$as_dir" = X/) >/dev/null 2>&1; then -+ as_dirname=dirname -+else -+ as_dirname=false -+fi - --# Name of the executable. - as_me=`$as_basename -- "$0" || - $as_expr X/"$0" : '.*/\([^/][^/]*\)/*$' \| \ - X"$0" : 'X\(//\)$' \| \ -@@ -12265,76 +10585,25 @@ - } - s/.*/./; q'` - --# CDPATH. --$as_unset CDPATH -- -- -- -- as_lineno_1=$LINENO -- as_lineno_2=$LINENO -- test "x$as_lineno_1" != "x$as_lineno_2" && -- test "x`expr $as_lineno_1 + 1`" = "x$as_lineno_2" || { -- -- # Create $as_me.lineno as a copy of $as_myself, but with $LINENO -- # uniformly replaced by the line number. The first 'sed' inserts a -- # line-number line after each line using $LINENO; the second 'sed' -- # does the real work. The second script uses 'N' to pair each -- # line-number line with the line containing $LINENO, and appends -- # trailing '-' during substitution so that $LINENO is not a special -- # case at line end. -- # (Raja R Harinath suggested sed '=', and Paul Eggert wrote the -- # scripts with optimization help from Paolo Bonzini. Blame Lee -- # E. McMahon (1931-1989) for sed's syntax. :-) -- sed -n ' -- p -- /[$]LINENO/= -- ' <$as_myself | -- sed ' -- s/[$]LINENO.*/&-/ -- t lineno -- b -- :lineno -- N -- :loop -- s/[$]LINENO\([^'$as_cr_alnum'_].*\n\)\(.*\)/\2\1\2/ -- t loop -- s/-\n.*// -- ' >$as_me.lineno && -- chmod +x "$as_me.lineno" || -- { $as_echo "$as_me: error: cannot create $as_me.lineno; rerun with a POSIX shell" >&2 -- { (exit 1); exit 1; }; } -- -- # Don't try to exec as it changes $[0], causing all sort of problems -- # (the dirname of $[0] is not the place where we might find the -- # original and so on. Autoconf is especially sensitive to this). -- . "./$as_me.lineno" -- # Exit status is that of the last command. -- exit --} -- -- --if (as_dir=`dirname -- /` && test "X$as_dir" = X/) >/dev/null 2>&1; then -- as_dirname=dirname --else -- as_dirname=false --fi -+# Avoid depending upon Character Ranges. -+as_cr_letters='abcdefghijklmnopqrstuvwxyz' -+as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ' -+as_cr_Letters=$as_cr_letters$as_cr_LETTERS -+as_cr_digits='0123456789' -+as_cr_alnum=$as_cr_Letters$as_cr_digits - - ECHO_C= ECHO_N= ECHO_T= --case `echo -n x` in -+case `echo -n x` in #((((( - -n*) -- case `echo 'x\c'` in -+ case `echo 'xy\c'` in - *c*) ECHO_T=' ';; # ECHO_T is single tab character. -- *) ECHO_C='\c';; -+ xy) ECHO_C='\c';; -+ *) echo `echo ksh88 bug on AIX 6.1` > /dev/null -+ ECHO_T=' ';; - esac;; - *) - ECHO_N='-n';; - esac --if expr a : '\(a\)' >/dev/null 2>&1 && -- test "X`expr 00001 : '.*\(...\)'`" = X001; then -- as_expr=expr --else -- as_expr=false --fi - - rm -f conf$$ conf$$.exe conf$$.file - if test -d conf$$.dir; then -@@ -12349,49 +10618,85 @@ - # ... but there are two gotchas: - # 1) On MSYS, both `ln -s file dir' and `ln file dir' fail. - # 2) DJGPP < 2.04 has no symlinks; `ln -s' creates a wrapper executable. -- # In both cases, we have to default to `cp -p'. -+ # In both cases, we have to default to `cp -pR'. - ln -s conf$$.file conf$$.dir 2>/dev/null && test ! -f conf$$.exe || -- as_ln_s='cp -p' -+ as_ln_s='cp -pR' - elif ln conf$$.file conf$$ 2>/dev/null; then - as_ln_s=ln - else -- as_ln_s='cp -p' -+ as_ln_s='cp -pR' - fi - else -- as_ln_s='cp -p' -+ as_ln_s='cp -pR' - fi - rm -f conf$$ conf$$.exe conf$$.dir/conf$$.file conf$$.file - rmdir conf$$.dir 2>/dev/null - -+ -+# as_fn_mkdir_p -+# ------------- -+# Create "$as_dir" as a directory, including parents if necessary. -+as_fn_mkdir_p () -+{ -+ -+ case $as_dir in #( -+ -*) as_dir=./$as_dir;; -+ esac -+ test -d "$as_dir" || eval $as_mkdir_p || { -+ as_dirs= -+ while :; do -+ case $as_dir in #( -+ *\'*) as_qdir=`$as_echo "$as_dir" | sed "s/'/'\\\\\\\\''/g"`;; #'( -+ *) as_qdir=$as_dir;; -+ esac -+ as_dirs="'$as_qdir' $as_dirs" -+ as_dir=`$as_dirname -- "$as_dir" || -+$as_expr X"$as_dir" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \ -+ X"$as_dir" : 'X\(//\)[^/]' \| \ -+ X"$as_dir" : 'X\(//\)$' \| \ -+ X"$as_dir" : 'X\(/\)' \| . 2>/dev/null || -+$as_echo X"$as_dir" | -+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ -+ s//\1/ -+ q -+ } -+ /^X\(\/\/\)[^/].*/{ -+ s//\1/ -+ q -+ } -+ /^X\(\/\/\)$/{ -+ s//\1/ -+ q -+ } -+ /^X\(\/\).*/{ -+ s//\1/ -+ q -+ } -+ s/.*/./; q'` -+ test -d "$as_dir" && break -+ done -+ test -z "$as_dirs" || eval "mkdir $as_dirs" -+ } || test -d "$as_dir" || as_fn_error $? "cannot create directory $as_dir" -+ -+ -+} # as_fn_mkdir_p - if mkdir -p . 2>/dev/null; then -- as_mkdir_p=: -+ as_mkdir_p='mkdir -p "$as_dir"' - else - test -d ./-p && rmdir ./-p - as_mkdir_p=false - fi - --if test -x / >/dev/null 2>&1; then -- as_test_x='test -x' --else -- if ls -dL / >/dev/null 2>&1; then -- as_ls_L_option=L -- else -- as_ls_L_option= -- fi -- as_test_x=' -- eval sh -c '\'' -- if test -d "$1"; then -- test -d "$1/."; -- else -- case $1 in -- -*)set "./$1";; -- esac; -- case `ls -ld'$as_ls_L_option' "$1" 2>/dev/null` in -- ???[sx]*):;;*)false;;esac;fi -- '\'' sh -- ' --fi --as_executable_p=$as_test_x -+ -+# as_fn_executable_p FILE -+# ----------------------- -+# Test if FILE is an executable regular file. -+as_fn_executable_p () -+{ -+ test -f "$1" && test -x "$1" -+} # as_fn_executable_p -+as_test_x='test -x' -+as_executable_p=as_fn_executable_p - - # Sed expression to map a string onto a valid CPP name. - as_tr_cpp="eval sed 'y%*$as_cr_letters%P$as_cr_LETTERS%;s%[^_$as_cr_alnum]%_%g'" -@@ -12401,13 +10706,19 @@ - - - exec 6>&1 -+## ----------------------------------- ## -+## Main body of $CONFIG_STATUS script. ## -+## ----------------------------------- ## -+_ASEOF -+test $as_write_fail = 0 && chmod +x $CONFIG_STATUS || ac_write_fail=1 - --# Save the log message, to keep $[0] and so on meaningful, and to -+cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1 -+# Save the log message, to keep $0 and so on meaningful, and to - # report actual input values of CONFIG_FILES etc. instead of their - # values after options handling. - ac_log=" - This file was extended by ESPRESSO $as_me 5.3.0, which was --generated by GNU Autoconf 2.63. Invocation command line was -+generated by GNU Autoconf 2.69. Invocation command line was - - CONFIG_FILES = $CONFIG_FILES - CONFIG_HEADERS = $CONFIG_HEADERS -@@ -12438,13 +10749,15 @@ - - cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1 - ac_cs_usage="\ --\`$as_me' instantiates files from templates according to the --current configuration. -+\`$as_me' instantiates files and other configuration actions -+from templates according to the current configuration. Unless the files -+and actions are specified as TAGs, all are instantiated by default. - --Usage: $0 [OPTION]... [FILE]... -+Usage: $0 [OPTION]... [TAG]... - - -h, --help print this help, then exit - -V, --version print version number and configuration settings, then exit -+ --config print configuration, then exit - -q, --quiet, --silent - do not print progress messages - -d, --debug don't remove temporary files -@@ -12460,16 +10773,17 @@ - Configuration headers: - $config_headers - --Report bugs to ." -+Report bugs to the package provider." - - _ACEOF - cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1 -+ac_cs_config="`$as_echo "$ac_configure_args" | sed 's/^ //; s/[\\""\`\$]/\\\\&/g'`" - ac_cs_version="\\ - ESPRESSO config.status 5.3.0 --configured by $0, generated by GNU Autoconf 2.63, -- with options \\"`$as_echo "$ac_configure_args" | sed 's/^ //; s/[\\""\`\$]/\\\\&/g'`\\" -+configured by $0, generated by GNU Autoconf 2.69, -+ with options \\"\$ac_cs_config\\" - --Copyright (C) 2008 Free Software Foundation, Inc. -+Copyright (C) 2012 Free Software Foundation, Inc. - This config.status script is free software; the Free Software Foundation - gives unlimited permission to copy, distribute and modify it." - -@@ -12484,11 +10798,16 @@ - while test $# != 0 - do - case $1 in -- --*=*) -+ --*=?*) - ac_option=`expr "X$1" : 'X\([^=]*\)='` - ac_optarg=`expr "X$1" : 'X[^=]*=\(.*\)'` - ac_shift=: - ;; -+ --*=) -+ ac_option=`expr "X$1" : 'X\([^=]*\)='` -+ ac_optarg= -+ ac_shift=: -+ ;; - *) - ac_option=$1 - ac_optarg=$2 -@@ -12502,27 +10821,29 @@ - ac_cs_recheck=: ;; - --version | --versio | --versi | --vers | --ver | --ve | --v | -V ) - $as_echo "$ac_cs_version"; exit ;; -+ --config | --confi | --conf | --con | --co | --c ) -+ $as_echo "$ac_cs_config"; exit ;; - --debug | --debu | --deb | --de | --d | -d ) - debug=: ;; - --file | --fil | --fi | --f ) - $ac_shift - case $ac_optarg in - *\'*) ac_optarg=`$as_echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"` ;; -+ '') as_fn_error $? "missing file argument" ;; - esac -- CONFIG_FILES="$CONFIG_FILES '$ac_optarg'" -+ as_fn_append CONFIG_FILES " '$ac_optarg'" - ac_need_defaults=false;; - --header | --heade | --head | --hea ) - $ac_shift - case $ac_optarg in - *\'*) ac_optarg=`$as_echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"` ;; - esac -- CONFIG_HEADERS="$CONFIG_HEADERS '$ac_optarg'" -+ as_fn_append CONFIG_HEADERS " '$ac_optarg'" - ac_need_defaults=false;; - --he | --h) - # Conflict between --help and --header -- { $as_echo "$as_me: error: ambiguous option: $1 --Try \`$0 --help' for more information." >&2 -- { (exit 1); exit 1; }; };; -+ as_fn_error $? "ambiguous option: \`$1' -+Try \`$0 --help' for more information.";; - --help | --hel | -h ) - $as_echo "$ac_cs_usage"; exit ;; - -q | -quiet | --quiet | --quie | --qui | --qu | --q \ -@@ -12530,11 +10851,10 @@ - ac_cs_silent=: ;; - - # This is an error. -- -*) { $as_echo "$as_me: error: unrecognized option: $1 --Try \`$0 --help' for more information." >&2 -- { (exit 1); exit 1; }; } ;; -+ -*) as_fn_error $? "unrecognized option: \`$1' -+Try \`$0 --help' for more information." ;; - -- *) ac_config_targets="$ac_config_targets $1" -+ *) as_fn_append ac_config_targets " $1" - ac_need_defaults=false ;; - - esac -@@ -12551,7 +10871,7 @@ - _ACEOF - cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1 - if \$ac_cs_recheck; then -- set X '$SHELL' '$0' $ac_configure_args \$ac_configure_extra_args --no-create --no-recursion -+ set X $SHELL '$0' $ac_configure_args \$ac_configure_extra_args --no-create --no-recursion - shift - \$as_echo "running CONFIG_SHELL=$SHELL \$*" >&6 - CONFIG_SHELL='$SHELL' -@@ -12588,9 +10908,7 @@ - "configure.msg") CONFIG_FILES="$CONFIG_FILES configure.msg" ;; - "install/make_wannier90.sys") CONFIG_FILES="$CONFIG_FILES install/make_wannier90.sys" ;; - -- *) { { $as_echo "$as_me:$LINENO: error: invalid argument: $ac_config_target" >&5 --$as_echo "$as_me: error: invalid argument: $ac_config_target" >&2;} -- { (exit 1); exit 1; }; };; -+ *) as_fn_error $? "invalid argument: \`$ac_config_target'" "$LINENO" 5;; - esac - done - -@@ -12612,26 +10930,24 @@ - # after its creation but before its name has been assigned to `$tmp'. - $debug || - { -- tmp= -+ tmp= ac_tmp= - trap 'exit_status=$? -- { test -z "$tmp" || test ! -d "$tmp" || rm -fr "$tmp"; } && exit $exit_status -+ : "${ac_tmp:=$tmp}" -+ { test ! -d "$ac_tmp" || rm -fr "$ac_tmp"; } && exit $exit_status - ' 0 -- trap '{ (exit 1); exit 1; }' 1 2 13 15 -+ trap 'as_fn_exit 1' 1 2 13 15 - } - # Create a (secure) tmp directory for tmp files. - - { - tmp=`(umask 077 && mktemp -d "./confXXXXXX") 2>/dev/null` && -- test -n "$tmp" && test -d "$tmp" -+ test -d "$tmp" - } || - { - tmp=./conf$$-$RANDOM - (umask 077 && mkdir "$tmp") --} || --{ -- $as_echo "$as_me: cannot create a temporary directory in ." >&2 -- { (exit 1); exit 1; } --} -+} || as_fn_error $? "cannot create a temporary directory in ." "$LINENO" 5 -+ac_tmp=$tmp - - # Set up the scripts for CONFIG_FILES section. - # No need to generate them if there are no CONFIG_FILES. -@@ -12639,7 +10955,13 @@ - if test -n "$CONFIG_FILES"; then - - --ac_cr=' ' -+ac_cr=`echo X | tr X '\015'` -+# On cygwin, bash can eat \r inside `` if the user requested igncr. -+# But we know of no other shell where ac_cr would be empty at this -+# point, so we can use a bashism as a fallback. -+if test "x$ac_cr" = x; then -+ eval ac_cr=\$\'\\r\' -+fi - ac_cs_awk_cr=`$AWK 'BEGIN { print "a\rb" }' /dev/null` - if test "$ac_cs_awk_cr" = "a${ac_cr}b"; then - ac_cs_awk_cr='\\r' -@@ -12647,7 +10969,7 @@ - ac_cs_awk_cr=$ac_cr - fi - --echo 'BEGIN {' >"$tmp/subs1.awk" && -+echo 'BEGIN {' >"$ac_tmp/subs1.awk" && - _ACEOF - - -@@ -12656,24 +10978,18 @@ - echo "$ac_subst_vars" | sed 's/.*/&!$&$ac_delim/' && - echo "_ACEOF" - } >conf$$subs.sh || -- { { $as_echo "$as_me:$LINENO: error: could not make $CONFIG_STATUS" >&5 --$as_echo "$as_me: error: could not make $CONFIG_STATUS" >&2;} -- { (exit 1); exit 1; }; } --ac_delim_num=`echo "$ac_subst_vars" | grep -c '$'` -+ as_fn_error $? "could not make $CONFIG_STATUS" "$LINENO" 5 -+ac_delim_num=`echo "$ac_subst_vars" | grep -c '^'` - ac_delim='%!_!# ' - for ac_last_try in false false false false false :; do - . ./conf$$subs.sh || -- { { $as_echo "$as_me:$LINENO: error: could not make $CONFIG_STATUS" >&5 --$as_echo "$as_me: error: could not make $CONFIG_STATUS" >&2;} -- { (exit 1); exit 1; }; } -+ as_fn_error $? "could not make $CONFIG_STATUS" "$LINENO" 5 - - ac_delim_n=`sed -n "s/.*$ac_delim\$/X/p" conf$$subs.awk | grep -c X` - if test $ac_delim_n = $ac_delim_num; then - break - elif $ac_last_try; then -- { { $as_echo "$as_me:$LINENO: error: could not make $CONFIG_STATUS" >&5 --$as_echo "$as_me: error: could not make $CONFIG_STATUS" >&2;} -- { (exit 1); exit 1; }; } -+ as_fn_error $? "could not make $CONFIG_STATUS" "$LINENO" 5 - else - ac_delim="$ac_delim!$ac_delim _$ac_delim!! " - fi -@@ -12681,7 +10997,7 @@ - rm -f conf$$subs.sh - - cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1 --cat >>"\$tmp/subs1.awk" <<\\_ACAWK && -+cat >>"\$ac_tmp/subs1.awk" <<\\_ACAWK && - _ACEOF - sed -n ' - h -@@ -12695,7 +11011,7 @@ - t delim - :nl - h --s/\(.\{148\}\).*/\1/ -+s/\(.\{148\}\)..*/\1/ - t more1 - s/["\\]/\\&/g; s/^/"/; s/$/\\n"\\/ - p -@@ -12709,7 +11025,7 @@ - t nl - :delim - h --s/\(.\{148\}\).*/\1/ -+s/\(.\{148\}\)..*/\1/ - t more2 - s/["\\]/\\&/g; s/^/"/; s/$/"/ - p -@@ -12729,7 +11045,7 @@ - rm -f conf$$subs.awk - cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1 - _ACAWK --cat >>"\$tmp/subs1.awk" <<_ACAWK && -+cat >>"\$ac_tmp/subs1.awk" <<_ACAWK && - for (key in S) S_is_set[key] = 1 - FS = "" - -@@ -12761,23 +11077,29 @@ - sed "s/$ac_cr\$//; s/$ac_cr/$ac_cs_awk_cr/g" - else - cat --fi < "$tmp/subs1.awk" > "$tmp/subs.awk" \ -- || { { $as_echo "$as_me:$LINENO: error: could not setup config files machinery" >&5 --$as_echo "$as_me: error: could not setup config files machinery" >&2;} -- { (exit 1); exit 1; }; } -+fi < "$ac_tmp/subs1.awk" > "$ac_tmp/subs.awk" \ -+ || as_fn_error $? "could not setup config files machinery" "$LINENO" 5 - _ACEOF - --# VPATH may cause trouble with some makes, so we remove $(srcdir), --# ${srcdir} and @srcdir@ from VPATH if srcdir is ".", strip leading and -+# VPATH may cause trouble with some makes, so we remove sole $(srcdir), -+# ${srcdir} and @srcdir@ entries from VPATH if srcdir is ".", strip leading and - # trailing colons and then remove the whole line if VPATH becomes empty - # (actually we leave an empty line to preserve line numbers). - if test "x$srcdir" = x.; then -- ac_vpsub='/^[ ]*VPATH[ ]*=/{ --s/:*\$(srcdir):*/:/ --s/:*\${srcdir}:*/:/ --s/:*@srcdir@:*/:/ --s/^\([^=]*=[ ]*\):*/\1/ -+ ac_vpsub='/^[ ]*VPATH[ ]*=[ ]*/{ -+h -+s/// -+s/^/:/ -+s/[ ]*$/:/ -+s/:\$(srcdir):/:/g -+s/:\${srcdir}:/:/g -+s/:@srcdir@:/:/g -+s/^:*// - s/:*$// -+x -+s/\(=[ ]*\).*/\1/ -+G -+s/\n// - s/^[^=]*=[ ]*$// - }' - fi -@@ -12789,7 +11111,7 @@ - # No need to generate them if there are no CONFIG_HEADERS. - # This happens for instance with `./config.status Makefile'. - if test -n "$CONFIG_HEADERS"; then --cat >"$tmp/defines.awk" <<\_ACAWK || -+cat >"$ac_tmp/defines.awk" <<\_ACAWK || - BEGIN { - _ACEOF - -@@ -12801,13 +11123,11 @@ - # handling of long lines. - ac_delim='%!_!# ' - for ac_last_try in false false :; do -- ac_t=`sed -n "/$ac_delim/p" confdefs.h` -- if test -z "$ac_t"; then -+ ac_tt=`sed -n "/$ac_delim/p" confdefs.h` -+ if test -z "$ac_tt"; then - break - elif $ac_last_try; then -- { { $as_echo "$as_me:$LINENO: error: could not make $CONFIG_HEADERS" >&5 --$as_echo "$as_me: error: could not make $CONFIG_HEADERS" >&2;} -- { (exit 1); exit 1; }; } -+ as_fn_error $? "could not make $CONFIG_HEADERS" "$LINENO" 5 - else - ac_delim="$ac_delim!$ac_delim _$ac_delim!! " - fi -@@ -12892,9 +11212,7 @@ - _ACAWK - _ACEOF - cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1 -- { { $as_echo "$as_me:$LINENO: error: could not setup config headers machinery" >&5 --$as_echo "$as_me: error: could not setup config headers machinery" >&2;} -- { (exit 1); exit 1; }; } -+ as_fn_error $? "could not setup config headers machinery" "$LINENO" 5 - fi # test -n "$CONFIG_HEADERS" - - -@@ -12907,9 +11225,7 @@ - esac - case $ac_mode$ac_tag in - :[FHL]*:*);; -- :L* | :C*:*) { { $as_echo "$as_me:$LINENO: error: invalid tag $ac_tag" >&5 --$as_echo "$as_me: error: invalid tag $ac_tag" >&2;} -- { (exit 1); exit 1; }; };; -+ :L* | :C*:*) as_fn_error $? "invalid tag \`$ac_tag'" "$LINENO" 5;; - :[FH]-) ac_tag=-:-;; - :[FH]*) ac_tag=$ac_tag:$ac_tag.in;; - esac -@@ -12928,7 +11244,7 @@ - for ac_f - do - case $ac_f in -- -) ac_f="$tmp/stdin";; -+ -) ac_f="$ac_tmp/stdin";; - *) # Look for the file first in the build tree, then in the source tree - # (if the path is not absolute). The absolute path cannot be DOS-style, - # because $ac_f cannot contain `:'. -@@ -12937,12 +11253,10 @@ - [\\/$]*) false;; - *) test -f "$srcdir/$ac_f" && ac_f="$srcdir/$ac_f";; - esac || -- { { $as_echo "$as_me:$LINENO: error: cannot find input file: $ac_f" >&5 --$as_echo "$as_me: error: cannot find input file: $ac_f" >&2;} -- { (exit 1); exit 1; }; };; -+ as_fn_error 1 "cannot find input file: \`$ac_f'" "$LINENO" 5;; - esac - case $ac_f in *\'*) ac_f=`$as_echo "$ac_f" | sed "s/'/'\\\\\\\\''/g"`;; esac -- ac_file_inputs="$ac_file_inputs '$ac_f'" -+ as_fn_append ac_file_inputs " '$ac_f'" - done - - # Let's still pretend it is `configure' which instantiates (i.e., don't -@@ -12953,7 +11267,7 @@ - `' by configure.' - if test x"$ac_file" != x-; then - configure_input="$ac_file. $configure_input" -- { $as_echo "$as_me:$LINENO: creating $ac_file" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: creating $ac_file" >&5 - $as_echo "$as_me: creating $ac_file" >&6;} - fi - # Neutralize special characters interpreted by sed in replacement strings. -@@ -12965,10 +11279,8 @@ - esac - - case $ac_tag in -- *:-:* | *:-) cat >"$tmp/stdin" \ -- || { { $as_echo "$as_me:$LINENO: error: could not create $ac_file" >&5 --$as_echo "$as_me: error: could not create $ac_file" >&2;} -- { (exit 1); exit 1; }; } ;; -+ *:-:* | *:-) cat >"$ac_tmp/stdin" \ -+ || as_fn_error $? "could not create $ac_file" "$LINENO" 5 ;; - esac - ;; - esac -@@ -12996,47 +11308,7 @@ - q - } - s/.*/./; q'` -- { as_dir="$ac_dir" -- case $as_dir in #( -- -*) as_dir=./$as_dir;; -- esac -- test -d "$as_dir" || { $as_mkdir_p && mkdir -p "$as_dir"; } || { -- as_dirs= -- while :; do -- case $as_dir in #( -- *\'*) as_qdir=`$as_echo "$as_dir" | sed "s/'/'\\\\\\\\''/g"`;; #'( -- *) as_qdir=$as_dir;; -- esac -- as_dirs="'$as_qdir' $as_dirs" -- as_dir=`$as_dirname -- "$as_dir" || --$as_expr X"$as_dir" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \ -- X"$as_dir" : 'X\(//\)[^/]' \| \ -- X"$as_dir" : 'X\(//\)$' \| \ -- X"$as_dir" : 'X\(/\)' \| . 2>/dev/null || --$as_echo X"$as_dir" | -- sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ -- s//\1/ -- q -- } -- /^X\(\/\/\)[^/].*/{ -- s//\1/ -- q -- } -- /^X\(\/\/\)$/{ -- s//\1/ -- q -- } -- /^X\(\/\).*/{ -- s//\1/ -- q -- } -- s/.*/./; q'` -- test -d "$as_dir" && break -- done -- test -z "$as_dirs" || eval "mkdir $as_dirs" -- } || test -d "$as_dir" || { { $as_echo "$as_me:$LINENO: error: cannot create directory $as_dir" >&5 --$as_echo "$as_me: error: cannot create directory $as_dir" >&2;} -- { (exit 1); exit 1; }; }; } -+ as_dir="$ac_dir"; as_fn_mkdir_p - ac_builddir=. - - case "$ac_dir" in -@@ -13084,7 +11356,6 @@ - # If the template does not know about datarootdir, expand it. - # FIXME: This hack should be removed a few years after 2.60. - ac_datarootdir_hack=; ac_datarootdir_seen= -- - ac_sed_dataroot=' - /datarootdir/ { - p -@@ -13094,12 +11365,11 @@ - /@docdir@/p - /@infodir@/p - /@localedir@/p --/@mandir@/p --' -+/@mandir@/p' - case `eval "sed -n \"\$ac_sed_dataroot\" $ac_file_inputs"` in - *datarootdir*) ac_datarootdir_seen=yes;; - *@datadir@*|*@docdir@*|*@infodir@*|*@localedir@*|*@mandir@*) -- { $as_echo "$as_me:$LINENO: WARNING: $ac_file_inputs seems to ignore the --datarootdir setting" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: $ac_file_inputs seems to ignore the --datarootdir setting" >&5 - $as_echo "$as_me: WARNING: $ac_file_inputs seems to ignore the --datarootdir setting" >&2;} - _ACEOF - cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1 -@@ -13109,7 +11379,7 @@ - s&@infodir@&$infodir&g - s&@localedir@&$localedir&g - s&@mandir@&$mandir&g -- s&\\\${datarootdir}&$datarootdir&g' ;; -+ s&\\\${datarootdir}&$datarootdir&g' ;; - esac - _ACEOF - -@@ -13135,27 +11405,24 @@ - s&@abs_top_builddir@&$ac_abs_top_builddir&;t t - $ac_datarootdir_hack - " --eval sed \"\$ac_sed_extra\" "$ac_file_inputs" | $AWK -f "$tmp/subs.awk" >$tmp/out \ -- || { { $as_echo "$as_me:$LINENO: error: could not create $ac_file" >&5 --$as_echo "$as_me: error: could not create $ac_file" >&2;} -- { (exit 1); exit 1; }; } -+eval sed \"\$ac_sed_extra\" "$ac_file_inputs" | $AWK -f "$ac_tmp/subs.awk" \ -+ >$ac_tmp/out || as_fn_error $? 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Please make sure it is defined" >&2;} - -- rm -f "$tmp/stdin" -+ rm -f "$ac_tmp/stdin" - case $ac_file in -- -) cat "$tmp/out" && rm -f "$tmp/out";; -- *) rm -f "$ac_file" && mv "$tmp/out" "$ac_file";; -+ -) cat "$ac_tmp/out" && rm -f "$ac_tmp/out";; -+ *) rm -f "$ac_file" && mv "$ac_tmp/out" "$ac_file";; - esac \ -- || { { $as_echo "$as_me:$LINENO: error: could not create $ac_file" >&5 --$as_echo "$as_me: error: could not create $ac_file" >&2;} -- { (exit 1); exit 1; }; } -+ || as_fn_error $? "could not create $ac_file" "$LINENO" 5 - ;; - :H) - # -@@ -13164,27 +11431,21 @@ - if test x"$ac_file" != x-; then - { - $as_echo "/* $configure_input */" \ -- && eval '$AWK -f "$tmp/defines.awk"' "$ac_file_inputs" -- } >"$tmp/config.h" \ -- || { { $as_echo "$as_me:$LINENO: error: could not create $ac_file" >&5 --$as_echo "$as_me: error: could not create $ac_file" >&2;} -- { (exit 1); exit 1; }; } -- if diff "$ac_file" "$tmp/config.h" >/dev/null 2>&1; then -- { $as_echo "$as_me:$LINENO: $ac_file is unchanged" >&5 -+ && eval '$AWK -f "$ac_tmp/defines.awk"' "$ac_file_inputs" -+ } >"$ac_tmp/config.h" \ -+ || as_fn_error $? "could not create $ac_file" "$LINENO" 5 -+ if diff "$ac_file" "$ac_tmp/config.h" >/dev/null 2>&1; then -+ { $as_echo "$as_me:${as_lineno-$LINENO}: $ac_file is unchanged" >&5 - $as_echo "$as_me: $ac_file is unchanged" >&6;} - else - rm -f "$ac_file" -- mv "$tmp/config.h" "$ac_file" \ -- || { { $as_echo "$as_me:$LINENO: error: could not create $ac_file" >&5 --$as_echo "$as_me: error: could not create $ac_file" >&2;} -- { (exit 1); exit 1; }; } -+ mv "$ac_tmp/config.h" "$ac_file" \ -+ || as_fn_error $? "could not create $ac_file" "$LINENO" 5 - fi - else - $as_echo "/* $configure_input */" \ -- && eval '$AWK -f "$tmp/defines.awk"' "$ac_file_inputs" \ -- || { { $as_echo "$as_me:$LINENO: error: could not create -" >&5 --$as_echo "$as_me: error: could not create -" >&2;} -- { (exit 1); exit 1; }; } -+ && eval '$AWK -f "$ac_tmp/defines.awk"' "$ac_file_inputs" \ -+ || as_fn_error $? "could not create -" "$LINENO" 5 - fi - ;; - -@@ -13194,15 +11455,12 @@ - done # for ac_tag - - --{ (exit 0); exit 0; } -+as_fn_exit 0 - _ACEOF --chmod +x $CONFIG_STATUS - ac_clean_files=$ac_clean_files_save - - test $ac_write_fail = 0 || -- { { $as_echo "$as_me:$LINENO: error: write failure creating $CONFIG_STATUS" >&5 --$as_echo "$as_me: error: write failure creating $CONFIG_STATUS" >&2;} -- { (exit 1); exit 1; }; } -+ as_fn_error $? "write failure creating $CONFIG_STATUS" "$LINENO" 5 - - - # configure is writing to config.log, and then calls config.status. -@@ -13223,10 +11481,10 @@ - exec 5>>config.log - # Use ||, not &&, to avoid exiting from the if with $? = 1, which - # would make configure fail if this is the last instruction. -- $ac_cs_success || { (exit 1); exit 1; } -+ $ac_cs_success || as_fn_exit 1 - fi - if test -n "$ac_unrecognized_opts" && test "$enable_option_checking" != no; then -- { $as_echo "$as_me:$LINENO: WARNING: unrecognized options: $ac_unrecognized_opts" >&5 -+ { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: unrecognized options: $ac_unrecognized_opts" >&5 - $as_echo "$as_me: WARNING: unrecognized options: $ac_unrecognized_opts" >&2;} - fi - -diff -urN espresso-5.3.0-orig/install/configure.ac espresso-5.3.0-new/install/configure.ac ---- espresso-5.3.0-orig/install/configure.ac 2016-01-09 02:24:17.000000000 -0600 -+++ espresso-5.3.0-new/install/configure.ac 2016-08-29 20:13:54.945432930 -0500 -@@ -86,6 +86,9 @@ - # Setting ELPA... - X_AC_QE_ELPA() - -+# Setting HDF5... -+X_AC_QE_HDF5() -+ - # Checking SIGNAL... - X_AC_QE_SIGNAL() - -@@ -104,7 +107,8 @@ - if test "$iflags" = "" ; then iflags="$try_iflags" ; fi - echo setting IFLAGS... $iflags - --# export sdditional ettings to generated files -+# export additional settings to generated files -+AC_SUBST(hdf5_line) - AC_SUBST(dflags) - AC_SUBST(fdflags) - AC_SUBST(iflags) -diff -urN espresso-5.3.0-orig/install/configure_orig espresso-5.3.0-new/install/configure_orig ---- espresso-5.3.0-orig/install/configure_orig 1969-12-31 18:00:00.000000000 -0600 -+++ espresso-5.3.0-new/install/configure_orig 2016-08-29 20:13:54.945432930 -0500 -@@ -0,0 +1,13236 @@ -+#! /bin/sh -+# Guess values for system-dependent variables and create Makefiles. -+# Generated by GNU Autoconf 2.63 for ESPRESSO 5.3.0. -+# -+# Copyright (C) 1992, 1993, 1994, 1995, 1996, 1998, 1999, 2000, 2001, -+# 2002, 2003, 2004, 2005, 2006, 2007, 2008 Free Software Foundation, Inc. -+# This configure script is free software; the Free Software Foundation -+# gives unlimited permission to copy, distribute and modify it. -+## --------------------- ## -+## M4sh Initialization. ## -+## --------------------- ## -+ -+# Be more Bourne compatible -+DUALCASE=1; export DUALCASE # for MKS sh -+if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then -+ emulate sh -+ NULLCMD=: -+ # Pre-4.2 versions of Zsh do word splitting on ${1+"$@"}, which -+ # is contrary to our usage. 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" >&6; } -+if test "${ac_cv_objext+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+rm -f conftest.o conftest.obj -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); }; then -+ for ac_file in conftest.o conftest.obj conftest.*; do -+ test -f "$ac_file" || continue; -+ case $ac_file in -+ *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg | *.map | *.inf | *.dSYM ) ;; -+ *) ac_cv_objext=`expr "$ac_file" : '.*\.\(.*\)'` -+ break;; -+ esac -+done -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+{ { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+{ { $as_echo "$as_me:$LINENO: error: cannot compute suffix of object files: cannot compile -+See \`config.log' for more details." >&5 -+$as_echo "$as_me: error: cannot compute suffix of object files: cannot compile -+See \`config.log' for more details." >&2;} -+ { (exit 1); exit 1; }; }; } -+fi -+ -+rm -f conftest.$ac_cv_objext conftest.$ac_ext -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_objext" >&5 -+$as_echo "$ac_cv_objext" >&6; } -+OBJEXT=$ac_cv_objext -+ac_objext=$OBJEXT -+# If we don't use `.F' as extension, the preprocessor is not run on the -+# input file. (Note that this only needs to work for GNU compilers.) -+ac_save_ext=$ac_ext -+ac_ext=F -+{ $as_echo "$as_me:$LINENO: checking whether we are using the GNU Fortran compiler" >&5 -+$as_echo_n "checking whether we are using the GNU Fortran compiler... " >&6; } -+if test "${ac_cv_fc_compiler_gnu+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.$ac_ext <<_ACEOF -+ program main -+#ifndef __GNUC__ -+ choke me -+#endif -+ -+ end -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_fc_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_compiler_gnu=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_compiler_gnu=no -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ac_cv_fc_compiler_gnu=$ac_compiler_gnu -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_fc_compiler_gnu" >&5 -+$as_echo "$ac_cv_fc_compiler_gnu" >&6; } -+ac_ext=$ac_save_ext -+ac_test_FFLAGS=${FCFLAGS+set} -+ac_save_FFLAGS=$FCFLAGS -+FCFLAGS= -+{ $as_echo "$as_me:$LINENO: checking whether $FC accepts -g" >&5 -+$as_echo_n "checking whether $FC accepts -g... " >&6; } -+if test "${ac_cv_prog_fc_g+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ FCFLAGS=-g -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_fc_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_cv_prog_fc_g=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_cv_prog_fc_g=no -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_prog_fc_g" >&5 -+$as_echo "$ac_cv_prog_fc_g" >&6; } -+if test "$ac_test_FFLAGS" = set; then -+ FCFLAGS=$ac_save_FFLAGS -+elif test $ac_cv_prog_fc_g = yes; then -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-g -O2" -+ else -+ FCFLAGS="-g" -+ fi -+else -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-O2" -+ else -+ FCFLAGS= -+ fi -+fi -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+f90=$FC -+ac_ext=${ac_fc_srcext-f} -+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5' -+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_fc_compiler_gnu -+{ $as_echo "$as_me:$LINENO: checking for Fortran flag to compile .f90 files" >&5 -+$as_echo_n "checking for Fortran flag to compile .f90 files... " >&6; } -+if test "${ac_cv_fc_srcext_f90+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_ext=f90 -+ac_fcflags_srcext_save=$ac_fcflags_srcext -+ac_fcflags_srcext= -+ac_cv_fc_srcext_f90=unknown -+for ac_flag in none -qsuffix=f=f90 -Tf; do -+ test "x$ac_flag" != xnone && ac_fcflags_srcext="$ac_flag" -+ cat >conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_fc_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_cv_fc_srcext_f90=$ac_flag; break -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+done -+rm -f conftest.$ac_objext conftest.f90 -+ac_fcflags_srcext=$ac_fcflags_srcext_save -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_fc_srcext_f90" >&5 -+$as_echo "$ac_cv_fc_srcext_f90" >&6; } -+if test "x$ac_cv_fc_srcext_f90" = xunknown; then -+ { { $as_echo "$as_me:$LINENO: error: Fortran could not compile .f90 files" >&5 -+$as_echo "$as_me: error: Fortran could not compile .f90 files" >&2;} -+ { (exit 1); exit 1; }; } -+else -+ ac_fc_srcext=f90 -+ if test "x$ac_cv_fc_srcext_f90" = xnone; then -+ ac_fcflags_srcext="" -+ FCFLAGS_f90="" -+ else -+ ac_fcflags_srcext=$ac_cv_fc_srcext_f90 -+ FCFLAGS_f90=$ac_cv_fc_srcext_f90 -+ fi -+ -+ -+fi -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ -+# check parallel Fortran 90 compiler -+if test "$use_parallel" -eq 0 ; -+then -+ mpif90=$f90 -+else -+ # clear cached values (not sure when and why this is needed) -+ unset FC ac_cv_prog_ac_ct_FC ac_cv_fc_compiler_gnu ac_cv_prog_fc_g -+ if test "$mpif90" = "" ; then -+ mpif90="$try_mpif90 $f90" -+ ac_ext=${ac_fc_srcext-f} -+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5' -+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_fc_compiler_gnu -+if test -n "$ac_tool_prefix"; then -+ for ac_prog in $mpif90 -+ do -+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. -+set dummy $ac_tool_prefix$ac_prog; ac_word=$2 -+{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if test "${ac_cv_prog_FC+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$FC"; then -+ ac_cv_prog_FC="$FC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ ac_cv_prog_FC="$ac_tool_prefix$ac_prog" -+ $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+done -+IFS=$as_save_IFS -+ -+fi -+fi -+FC=$ac_cv_prog_FC -+if test -n "$FC"; then -+ { $as_echo "$as_me:$LINENO: result: $FC" >&5 -+$as_echo "$FC" >&6; } -+else -+ { $as_echo "$as_me:$LINENO: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$FC" && break -+ done -+fi -+if test -z "$FC"; then -+ ac_ct_FC=$FC -+ for ac_prog in $mpif90 -+do -+ # Extract the first word of "$ac_prog", so it can be a program name with args. -+set dummy $ac_prog; ac_word=$2 -+{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if test "${ac_cv_prog_ac_ct_FC+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$ac_ct_FC"; then -+ ac_cv_prog_ac_ct_FC="$ac_ct_FC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ ac_cv_prog_ac_ct_FC="$ac_prog" -+ $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+done -+IFS=$as_save_IFS -+ -+fi -+fi -+ac_ct_FC=$ac_cv_prog_ac_ct_FC -+if test -n "$ac_ct_FC"; then -+ { $as_echo "$as_me:$LINENO: result: $ac_ct_FC" >&5 -+$as_echo "$ac_ct_FC" >&6; } -+else -+ { $as_echo "$as_me:$LINENO: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$ac_ct_FC" && break -+done -+ -+ if test "x$ac_ct_FC" = x; then -+ FC="" -+ else -+ case $cross_compiling:$ac_tool_warned in -+yes:) -+{ $as_echo "$as_me:$LINENO: WARNING: using cross tools not prefixed with host triplet" >&5 -+$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} -+ac_tool_warned=yes ;; -+esac -+ FC=$ac_ct_FC -+ fi -+fi -+ -+ -+# Provide some information about the compiler. -+$as_echo "$as_me:$LINENO: checking for Fortran compiler version" >&5 -+set X $ac_compile -+ac_compiler=$2 -+{ (ac_try="$ac_compiler --version >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compiler --version >&5") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } -+{ (ac_try="$ac_compiler -v >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compiler -v >&5") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } -+{ (ac_try="$ac_compiler -V >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compiler -V >&5") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } -+rm -f a.out -+ -+# If we don't use `.F' as extension, the preprocessor is not run on the -+# input file. (Note that this only needs to work for GNU compilers.) -+ac_save_ext=$ac_ext -+ac_ext=F -+{ $as_echo "$as_me:$LINENO: checking whether we are using the GNU Fortran compiler" >&5 -+$as_echo_n "checking whether we are using the GNU Fortran compiler... " >&6; } -+if test "${ac_cv_fc_compiler_gnu+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.$ac_ext <<_ACEOF -+ program main -+#ifndef __GNUC__ -+ choke me -+#endif -+ -+ end -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_fc_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_compiler_gnu=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_compiler_gnu=no -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ac_cv_fc_compiler_gnu=$ac_compiler_gnu -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_fc_compiler_gnu" >&5 -+$as_echo "$ac_cv_fc_compiler_gnu" >&6; } -+ac_ext=$ac_save_ext -+ac_test_FFLAGS=${FCFLAGS+set} -+ac_save_FFLAGS=$FCFLAGS -+FCFLAGS= -+{ $as_echo "$as_me:$LINENO: checking whether $FC accepts -g" >&5 -+$as_echo_n "checking whether $FC accepts -g... " >&6; } -+if test "${ac_cv_prog_fc_g+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ FCFLAGS=-g -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_fc_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_cv_prog_fc_g=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_cv_prog_fc_g=no -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_prog_fc_g" >&5 -+$as_echo "$ac_cv_prog_fc_g" >&6; } -+if test "$ac_test_FFLAGS" = set; then -+ FCFLAGS=$ac_save_FFLAGS -+elif test $ac_cv_prog_fc_g = yes; then -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-g -O2" -+ else -+ FCFLAGS="-g" -+ fi -+else -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-O2" -+ else -+ FCFLAGS= -+ fi -+fi -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ else -+ ac_ext=${ac_fc_srcext-f} -+ac_compile='$FC -c $FCFLAGS $ac_fcflags_srcext conftest.$ac_ext >&5' -+ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_fc_compiler_gnu -+if test -n "$ac_tool_prefix"; then -+ for ac_prog in $mpif90 -+ do -+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. -+set dummy $ac_tool_prefix$ac_prog; ac_word=$2 -+{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if test "${ac_cv_prog_FC+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$FC"; then -+ ac_cv_prog_FC="$FC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ ac_cv_prog_FC="$ac_tool_prefix$ac_prog" -+ $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+done -+IFS=$as_save_IFS -+ -+fi -+fi -+FC=$ac_cv_prog_FC -+if test -n "$FC"; then -+ { $as_echo "$as_me:$LINENO: result: $FC" >&5 -+$as_echo "$FC" >&6; } -+else -+ { $as_echo "$as_me:$LINENO: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$FC" && break -+ done -+fi -+if test -z "$FC"; then -+ ac_ct_FC=$FC -+ for ac_prog in $mpif90 -+do -+ # Extract the first word of "$ac_prog", so it can be a program name with args. -+set dummy $ac_prog; ac_word=$2 -+{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if test "${ac_cv_prog_ac_ct_FC+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$ac_ct_FC"; then -+ ac_cv_prog_ac_ct_FC="$ac_ct_FC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ ac_cv_prog_ac_ct_FC="$ac_prog" -+ $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+done -+IFS=$as_save_IFS -+ -+fi -+fi -+ac_ct_FC=$ac_cv_prog_ac_ct_FC -+if test -n "$ac_ct_FC"; then -+ { $as_echo "$as_me:$LINENO: result: $ac_ct_FC" >&5 -+$as_echo "$ac_ct_FC" >&6; } -+else -+ { $as_echo "$as_me:$LINENO: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$ac_ct_FC" && break -+done -+ -+ if test "x$ac_ct_FC" = x; then -+ FC="" -+ else -+ case $cross_compiling:$ac_tool_warned in -+yes:) -+{ $as_echo "$as_me:$LINENO: WARNING: using cross tools not prefixed with host triplet" >&5 -+$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} -+ac_tool_warned=yes ;; -+esac -+ FC=$ac_ct_FC -+ fi -+fi -+ -+ -+# Provide some information about the compiler. -+$as_echo "$as_me:$LINENO: checking for Fortran compiler version" >&5 -+set X $ac_compile -+ac_compiler=$2 -+{ (ac_try="$ac_compiler --version >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compiler --version >&5") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } -+{ (ac_try="$ac_compiler -v >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compiler -v >&5") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } -+{ (ac_try="$ac_compiler -V >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compiler -V >&5") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } -+rm -f a.out -+ -+# If we don't use `.F' as extension, the preprocessor is not run on the -+# input file. (Note that this only needs to work for GNU compilers.) -+ac_save_ext=$ac_ext -+ac_ext=F -+{ $as_echo "$as_me:$LINENO: checking whether we are using the GNU Fortran compiler" >&5 -+$as_echo_n "checking whether we are using the GNU Fortran compiler... " >&6; } -+if test "${ac_cv_fc_compiler_gnu+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.$ac_ext <<_ACEOF -+ program main -+#ifndef __GNUC__ -+ choke me -+#endif -+ -+ end -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_fc_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_compiler_gnu=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_compiler_gnu=no -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ac_cv_fc_compiler_gnu=$ac_compiler_gnu -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_fc_compiler_gnu" >&5 -+$as_echo "$ac_cv_fc_compiler_gnu" >&6; } -+ac_ext=$ac_save_ext -+ac_test_FFLAGS=${FCFLAGS+set} -+ac_save_FFLAGS=$FCFLAGS -+FCFLAGS= -+{ $as_echo "$as_me:$LINENO: checking whether $FC accepts -g" >&5 -+$as_echo_n "checking whether $FC accepts -g... " >&6; } -+if test "${ac_cv_prog_fc_g+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ FCFLAGS=-g -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_fc_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_cv_prog_fc_g=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_cv_prog_fc_g=no -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_prog_fc_g" >&5 -+$as_echo "$ac_cv_prog_fc_g" >&6; } -+if test "$ac_test_FFLAGS" = set; then -+ FCFLAGS=$ac_save_FFLAGS -+elif test $ac_cv_prog_fc_g = yes; then -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-g -O2" -+ else -+ FCFLAGS="-g" -+ fi -+else -+ if test "x$ac_cv_fc_compiler_gnu" = xyes; then -+ FCFLAGS="-O2" -+ else -+ FCFLAGS= -+ fi -+fi -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+# this avoids that an empty MPIF90 field is produced if the corresponding -+# environment variable MPIF90 does not contain an acceptable compiler -+ if test "$FC" = "" ; then -+ { $as_echo "$as_me:$LINENO: WARNING: MPIF90 not found: using MPIF90 anyway" >&5 -+$as_echo "$as_me: WARNING: MPIF90 not found: using MPIF90 anyway" >&2;} -+ FC=$MPIF90 -+ fi -+ fi -+ mpif90=$FC -+fi -+ -+# check which compiler does mpif90 wrap -+ -+case "$arch" in -+ ia32 | ia64 | x86_64 | mac686 ) -+ echo $ECHO_N "checking version of $mpif90... $ECHO_C" -+ ifort_version=`$mpif90 -V 2>&1 | grep "Intel(R)"` -+ sunf95_version=`$mpif90 -V 2>&1 | grep "Sun Fortran"` -+ openf95_version=`$mpif90 -V 2>&1 | grep "^Open64"` -+ pgf_version=`$mpif90 -V 2>&1 | grep "^pgf"` -+ g95_version=`$mpif90 -v 2>&1 | grep "g95"` -+ enzo_version=`$mpif90 -v 2>&1 | grep "PathScale ENZO"` -+ eko_version=`$mpif90 -v 2>&1 | grep "PathScale EKOPath"` -+ pathf95_version=`$mpif90 -v 2>&1 | grep "PathScale"` -+ gfortran_version=`$mpif90 -v 2>&1 | grep "gcc version"` -+ nagfor_version=`$mpif90 -v 2>&1 | grep "NAG Fortran"` -+ # -+ if test "$ifort_version" != "" -+ then -+ version=`$mpif90 -V 2>&1 | grep Version | -+ sed 's/.*Version//' | awk '{print }'` -+ ifort_version=`echo $version | sed 's/\..*//'` -+ echo "${ECHO_T}ifort $version" -+ f90_in_mpif90="ifort" -+ if test "$ifort_version" -gt 8; then -+ # flags for MKL - ifort 9 and later -+ MKL_LIBS="" -+ if test "$ifort_version" -gt 9; then -+ MKL_FLAGS="-static-intel" -+ else -+ MKL_FLAGS="-i-static" -+ fi -+ else -+ # flags for MKL - ifort 8 and earlier, obsolescent -+ MKL_LIBS="-lguide -lpthread" -+ MKL_FLAGS="" -+ fi -+ elif test "$sunf95_version" != "" -+ then -+ version=`echo $sunf95_version | awk '{print }'` -+ echo "${ECHO_T}sunf95 $version" -+ f90_in_mpif90="sunf95" -+ elif test "$openf95_version" != "" -+ then -+ version=`echo $openf95_version | awk '{print }'` -+ echo "${ECHO_T}openf95 $version" -+ f90_in_mpif90="openf95" -+ elif test "$pgf_version" != "" -+ then -+ version=`echo $pgf_version | awk '{print }'` -+ echo "${ECHO_T}pgf90 $version" -+ f90_in_mpif90="pgf90" -+ # flag to test MKL with PGI -+ MKL_FLAGS="-pgf90libs" -+ elif test "$enzo_version" != "" -+ then -+ version=`echo $enzo_version | awk '{print }'` -+ echo "${ECHO_T}pathf95 $version" -+ f90_in_mpif90="pathf95" -+ elif test "$eko_version" != "" -+ then -+ version=`echo $eko_version | awk '{print }'` -+ echo "${ECHO_T}pathf95 $version" -+ f90_in_mpif90="pathf95" -+ elif test "$g95_version" != "" -+ then -+ version=`echo $g95_version | awk '{print }'` -+ echo "${ECHO_T}g95 $version" -+ f90_in_mpif90="g95" -+ elif test "$pathf95_version" != "" -+ then -+ version=`echo $pathf95_version | awk '{print }'` -+ echo "${ECHO_T}pathf95 $version" -+ f90_in_mpif90="pathf95" -+ elif test "$gfortran_version" != "" -+ then -+ version=`echo $gfortran_version | awk '{print }'` -+ echo "${ECHO_T}gfortran $version" -+ f90_in_mpif90="gfortran" -+ elif test "$nagfor_version" != "" -+ then -+ # NAG 6.0 has the codename attached to version number... annoying -+ version=`echo $nagfor_version | awk '{print }'` -+ echo "${ECHO_T}nagfor $version" -+ f90_in_mpif90="nagfor" -+ else -+ echo "${ECHO_T}unknown, assuming gfortran" -+ f90_in_mpif90="gfortran" -+ fi -+ # check if serial and parallel compiler are the same -+ if test "$f90" != "$f90_in_mpif90"; then -+ { $as_echo "$as_me:$LINENO: WARNING: parallel compiler $mpif90 uses $f90_in_mpif90, but serial compiler $f90 was detected" >&5 -+$as_echo "$as_me: WARNING: parallel compiler $mpif90 uses $f90_in_mpif90, but serial compiler $f90 was detected" >&2;} -+ { $as_echo "$as_me:$LINENO: WARNING: assuming F90=$f90_in_mpif90, discarding $f90" >&5 -+$as_echo "$as_me: WARNING: assuming F90=$f90_in_mpif90, discarding $f90" >&2;} -+ fi -+ f90=$f90_in_mpif90 -+ ;; -+esac -+ -+echo setting F90... $f90 -+echo setting MPIF90... $mpif90 -+ -+case "$f90" in -+f90 | fc | ftn ) -+ echo $ECHO_N "checking version wrapped by $f90 command... $ECHO_C" -+ -+ if $f90 -V 2>&1 | grep -q "Intel(R)" ; then -+ f90_version=ifort -+ elif $f90 -V 2>&1 | grep -q "Sun Fortran" ; then -+ f90_version=sunf95 -+ elif $f90 -V 2>&1 | grep -q "^Open64" ; then -+ f90_version=openf95 -+ elif $f90 -V 2>&1 | grep -q "^pgf" ; then -+ f90_version=pgf -+ elif $f90 -v 2>&1 | grep -q "PathScale ENZO" ; then -+ f90_version=pathf95 -+ elif $f90 -v 2>&1 | grep -q "PathScale EKOPath" ; then -+ f90_version=pathf95 -+ elif $f90 -version 2>&1 | grep -q "PathScale" ; then -+ f90_version=pathf95 -+ elif $f90 -v 2>&1 | grep -q "g95" ; then -+ f90_version=g95 -+ elif $f90 -v 2>&1 | grep -q "gcc version" ; then -+ f90_version=gfortran -+ elif $f90 -V 2>&1 | grep -q "Cray Fortran" ; then -+ f90_version=crayftn -+ elif $f90 -version 2>&1 | grep -q "NAG Fortran" ; then -+ f90_version=nagfor -+ else -+ echo $ECHO_N "unknown, leaving as... $ECHO_C" -+ f90_version=$f90 -+ fi -+ echo $f90_version -+ ;; -+* ) -+ f90_version=$f90 -+ ;; -+esac -+ -+ -+ -+ -+ -+ -+# Check environ... -+ -+ -+ # Check whether --enable-environment was given. -+if test "${enable_environment+set}" = set; then -+ enableval=$enable_environment; if test "$enableval" = "yes" ; then -+ enable_environment=1 -+ else -+ enable_environment=0 -+ fi -+else -+ enable_environment=0 -+fi -+ -+ -+ if test "$enable_environment" -eq 1 ; -+ then -+ try_dflags="$try_dflags -D__ENVIRONMENT" -+ fi -+ -+ -+ -+ -+# Checking MPIF90... -+ -+ -+# candidate C and f77 compilers good for all cases -+try_cc="cc gcc" -+ -+case "$arch:$f90_version" in -+*:ifort* ) -+ try_cc="icc ecc $try_cc" -+ ;; -+*:pgf90 ) -+ try_cc="pgcc $try_cc" -+ ;; -+*:pathf95 ) -+ try_cc="pathcc $try_cc" -+ ;; -+*:sunf95 ) -+ try_cc="suncc $try_cc" -+ ;; -+*:openf95 ) -+ try_cc="opencc $try_cc" -+ ;; -+aix:*xlf*_r ) -+ try_cc="xlc_r $try_cc" -+ ;; -+aix:*xlf* ) -+ try_cc="xlc $try_cc" -+ ;; -+cray*:* ) -+ try_cc="cc" -+ ;; -+necsx:* ) -+ try_cc="sxcc" -+ ;; -+ppc64-bg*:*xlf90_r ) -+ try_cc="bgxlc_r" -+ ;; -+ppc64-bg*:*xlf90 ) -+ try_cc="bgxlc" -+ ;; -+ppc64:*xlf* | ppc64-mn:*xlf* ) -+ try_cc="xlc_r $try_cc" -+ ;; -+esac -+ -+# check serial C compiler -+if test "$env_cc" = "" ; then cc="$try_cc" ; else cc="$env_cc"; fi -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+if test -n "$ac_tool_prefix"; then -+ for ac_prog in $cc -+ do -+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. -+set dummy $ac_tool_prefix$ac_prog; ac_word=$2 -+{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if test "${ac_cv_prog_CC+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$CC"; then -+ ac_cv_prog_CC="$CC" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ ac_cv_prog_CC="$ac_tool_prefix$ac_prog" -+ $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+done -+IFS=$as_save_IFS -+ -+fi -+fi -+CC=$ac_cv_prog_CC -+if test -n "$CC"; then -+ { $as_echo "$as_me:$LINENO: result: $CC" >&5 -+$as_echo "$CC" >&6; } -+else -+ { $as_echo "$as_me:$LINENO: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$CC" && break -+ done -+fi -+if test -z "$CC"; then -+ ac_ct_CC=$CC -+ for ac_prog in $cc -+do -+ # Extract the first word of "$ac_prog", so it can be a program name with args. -+set dummy $ac_prog; ac_word=$2 -+{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... 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It's necessary to write '\x00'==0 to get something -+ that's true only with -std. */ -+int osf4_cc_array ['\x00' == 0 ? 1 : -1]; -+ -+/* IBM C 6 for AIX is almost-ANSI by default, but it replaces macro parameters -+ inside strings and character constants. */ -+#define FOO(x) 'x' -+int xlc6_cc_array[FOO(a) == 'x' ? 1 : -1]; -+ -+int test (int i, double x); -+struct s1 {int (*f) (int a);}; -+struct s2 {int (*f) (double a);}; -+int pairnames (int, char **, FILE *(*)(struct buf *, struct stat *, int), int, int); -+int argc; -+char **argv; -+int -+main () -+{ -+return f (e, argv, 0) != argv[0] || f (e, argv, 1) != argv[1]; -+ ; -+ return 0; -+} -+_ACEOF -+for ac_arg in '' -qlanglvl=extc89 -qlanglvl=ansi -std \ -+ -Ae "-Aa -D_HPUX_SOURCE" "-Xc -D__EXTENSIONS__" -+do -+ CC="$ac_save_CC $ac_arg" -+ rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_cv_prog_cc_c89=$ac_arg -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -f core conftest.err conftest.$ac_objext -+ test "x$ac_cv_prog_cc_c89" != "xno" && break -+done -+rm -f conftest.$ac_ext -+CC=$ac_save_CC -+ -+fi -+# AC_CACHE_VAL -+case "x$ac_cv_prog_cc_c89" in -+ x) -+ { $as_echo "$as_me:$LINENO: result: none needed" >&5 -+$as_echo "none needed" >&6; } ;; -+ xno) -+ { $as_echo "$as_me:$LINENO: result: unsupported" >&5 -+$as_echo "unsupported" >&6; } ;; -+ *) -+ CC="$CC $ac_cv_prog_cc_c89" -+ { $as_echo "$as_me:$LINENO: result: $ac_cv_prog_cc_c89" >&5 -+$as_echo "$ac_cv_prog_cc_c89" >&6; } ;; -+esac -+ -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+cc=$CC -+ -+echo setting CC... $cc -+ -+ -+ -+# tentative C and loader flags, good for many cases -+try_cflags="-O3" -+c_ldflags="" -+try_cpp="cpp" -+ -+case "$arch:$cc" in -+*:pgcc ) -+ try_cflags="-fast" -+ ;; -+# pathcc -E seems to give problems when preprocessing iotk -+#*:pathcc ) -+# try_cpp="pathcc -E" -+# ;; -+aix:xlc* | aix:cc ) -+ try_cflags="-q64 -O2" -+ c_ldflags="-q64" -+ ;; -+*:suncc ) -+ try_cflags="-fast -O" -+ ;; -+sparc:cc ) -+ try_cflags="-fast -dalign -xchip=ultra3 -xarch=v8plusb \ -+-xlic_lib=sunperf" -+ try_cpp="fpp" -+ ;; -+crayxt*:cc ) -+ # Actually we need something like is done for ftn to detect -+ # the proper compiler used (NdFilippo) -+ try_cflags="-O3" -+ ;; -+necsx:* ) -+ #try_cflags="-D__SX6 \$(IFLAGS) \$(MODFLAGS)" -+ try_cflags="" -+ ;; -+ppc64-mn:* ) -+ try_cflags="-O3 -q64" -+ ;; -+ppc64-bg:* ) -+ try_cflags="-O3 -q32" -+ ;; -+ppc64-bgq:* ) -+ try_cflags="-O3" -+ ;; -+ppc64:xlc*) -+ try_cflags="-O3 -q64 -qthreaded" -+ c_ldflags="-q64" -+ ;; -+ -+esac -+if test "$cflags" = "" ; then cflags=$try_cflags ; fi -+echo setting CFLAGS... $cflags -+ -+# compilation flags for all subsequent tests -+test_cflags="`echo $cflags | sed 's/\$([^)]*)//g'`" -+ -+ -+ -+ -+# Checking FFTW pointers... -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+{ $as_echo "$as_me:$LINENO: checking how to run the C preprocessor" >&5 -+$as_echo_n "checking how to run the C preprocessor... 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Now check whether nonexistent headers -+ # can be detected and how. -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+#include -+_ACEOF -+if { (ac_try="$ac_cpp conftest.$ac_ext" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_cpp conftest.$ac_ext") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } >/dev/null && { -+ test -z "$ac_c_preproc_warn_flag$ac_c_werror_flag" || -+ test ! -s conftest.err -+ }; then -+ # Broken: success on invalid input. -+continue -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ # Passes both tests. -+ac_preproc_ok=: -+break -+fi -+ -+rm -f conftest.err conftest.$ac_ext -+ -+done -+# Because of `break', _AC_PREPROC_IFELSE's cleaning code was skipped. -+rm -f conftest.err conftest.$ac_ext -+if $ac_preproc_ok; then -+ break -+fi -+ -+ done -+ ac_cv_prog_CPP=$CPP -+ -+fi -+ CPP=$ac_cv_prog_CPP -+else -+ ac_cv_prog_CPP=$CPP -+fi -+{ $as_echo "$as_me:$LINENO: result: $CPP" >&5 -+$as_echo "$CPP" >&6; } -+ac_preproc_ok=false -+for ac_c_preproc_warn_flag in '' yes -+do -+ # Use a header file that comes with gcc, so configuring glibc -+ # with a fresh cross-compiler works. -+ # Prefer to if __STDC__ is defined, since -+ # exists even on freestanding compilers. -+ # On the NeXT, cc -E runs the code through the compiler's parser, -+ # not just through cpp. "Syntax error" is here to catch this case. -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+#ifdef __STDC__ -+# include -+#else -+# include -+#endif -+ Syntax error -+_ACEOF -+if { (ac_try="$ac_cpp conftest.$ac_ext" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_cpp conftest.$ac_ext") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } >/dev/null && { -+ test -z "$ac_c_preproc_warn_flag$ac_c_werror_flag" || -+ test ! -s conftest.err -+ }; then -+ : -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ # Broken: fails on valid input. -+continue -+fi -+ -+rm -f conftest.err conftest.$ac_ext -+ -+ # OK, works on sane cases. Now check whether nonexistent headers -+ # can be detected and how. -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+#include -+_ACEOF -+if { (ac_try="$ac_cpp conftest.$ac_ext" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_cpp conftest.$ac_ext") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } >/dev/null && { -+ test -z "$ac_c_preproc_warn_flag$ac_c_werror_flag" || -+ test ! -s conftest.err -+ }; then -+ # Broken: success on invalid input. -+continue -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ # Passes both tests. -+ac_preproc_ok=: -+break -+fi -+ -+rm -f conftest.err conftest.$ac_ext -+ -+done -+# Because of `break', _AC_PREPROC_IFELSE's cleaning code was skipped. -+rm -f conftest.err conftest.$ac_ext -+if $ac_preproc_ok; then -+ : -+else -+ { { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+{ { $as_echo "$as_me:$LINENO: error: C preprocessor \"$CPP\" fails sanity check -+See \`config.log' for more details." >&5 -+$as_echo "$as_me: error: C preprocessor \"$CPP\" fails sanity check -+See \`config.log' for more details." >&2;} -+ { (exit 1); exit 1; }; }; } -+fi -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ -+{ $as_echo "$as_me:$LINENO: checking for grep that handles long lines and -e" >&5 -+$as_echo_n "checking for grep that handles long lines and -e... 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" >&6; } -+if test "${ac_cv_header_stdc+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+#include -+#include -+#include -+#include -+ -+int -+main () -+{ -+ -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_cv_header_stdc=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_cv_header_stdc=no -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+if test $ac_cv_header_stdc = yes; then -+ # SunOS 4.x string.h does not declare mem*, contrary to ANSI. -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+#include -+ -+_ACEOF -+if (eval "$ac_cpp conftest.$ac_ext") 2>&5 | -+ $EGREP "memchr" >/dev/null 2>&1; then -+ : -+else -+ ac_cv_header_stdc=no -+fi -+rm -f conftest* -+ -+fi -+ -+if test $ac_cv_header_stdc = yes; then -+ # ISC 2.0.2 stdlib.h does not declare free, contrary to ANSI. -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+#include -+ -+_ACEOF -+if (eval "$ac_cpp conftest.$ac_ext") 2>&5 | -+ $EGREP "free" >/dev/null 2>&1; then -+ : -+else -+ ac_cv_header_stdc=no -+fi -+rm -f conftest* -+ -+fi -+ -+if test $ac_cv_header_stdc = yes; then -+ # /bin/cc in Irix-4.0.5 gets non-ANSI ctype macros unless using -ansi. -+ if test "$cross_compiling" = yes; then -+ : -+else -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+#include -+#include -+#if ((' ' & 0x0FF) == 0x020) -+# define ISLOWER(c) ('a' <= (c) && (c) <= 'z') -+# define TOUPPER(c) (ISLOWER(c) ? 'A' + ((c) - 'a') : (c)) -+#else -+# define ISLOWER(c) \ -+ (('a' <= (c) && (c) <= 'i') \ -+ || ('j' <= (c) && (c) <= 'r') \ -+ || ('s' <= (c) && (c) <= 'z')) -+# define TOUPPER(c) (ISLOWER(c) ? ((c) | 0x40) : (c)) -+#endif -+ -+#define XOR(e, f) (((e) && !(f)) || (!(e) && (f))) -+int -+main () -+{ -+ int i; -+ for (i = 0; i < 256; i++) -+ if (XOR (islower (i), ISLOWER (i)) -+ || toupper (i) != TOUPPER (i)) -+ return 2; -+ return 0; -+} -+_ACEOF -+rm -f conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { ac_try='./conftest$ac_exeext' -+ { (case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_try") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); }; }; then -+ : -+else -+ $as_echo "$as_me: program exited with status $ac_status" >&5 -+$as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+( exit $ac_status ) -+ac_cv_header_stdc=no -+fi -+rm -rf conftest.dSYM -+rm -f core *.core core.conftest.* gmon.out bb.out conftest$ac_exeext conftest.$ac_objext conftest.$ac_ext -+fi -+ -+ -+fi -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_header_stdc" >&5 -+$as_echo "$ac_cv_header_stdc" >&6; } -+if test $ac_cv_header_stdc = yes; then -+ -+cat >>confdefs.h <<\_ACEOF -+#define STDC_HEADERS 1 -+_ACEOF -+ -+fi -+ -+# On IRIX 5.3, sys/types and inttypes.h are conflicting. -+ -+ -+ -+ -+ -+ -+ -+ -+ -+for ac_header in sys/types.h sys/stat.h stdlib.h string.h memory.h strings.h \ -+ inttypes.h stdint.h unistd.h -+do -+as_ac_Header=`$as_echo "ac_cv_header_$ac_header" | $as_tr_sh` -+{ $as_echo "$as_me:$LINENO: checking for $ac_header" >&5 -+$as_echo_n "checking for $ac_header... " >&6; } -+if { as_var=$as_ac_Header; eval "test \"\${$as_var+set}\" = set"; }; then -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+$ac_includes_default -+ -+#include <$ac_header> -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ eval "$as_ac_Header=yes" -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ eval "$as_ac_Header=no" -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+fi -+ac_res=`eval 'as_val=${'$as_ac_Header'} -+ $as_echo "$as_val"'` -+ { $as_echo "$as_me:$LINENO: result: $ac_res" >&5 -+$as_echo "$ac_res" >&6; } -+as_val=`eval 'as_val=${'$as_ac_Header'} -+ $as_echo "$as_val"'` -+ if test "x$as_val" = x""yes; then -+ cat >>confdefs.h <<_ACEOF -+#define `$as_echo "HAVE_$ac_header" | $as_tr_cpp` 1 -+_ACEOF -+ -+fi -+ -+done -+ -+ -+ -+ -+# check size of pointers to int - needed to decide the size of integer -+# arrays in fortran holding C pointers for FFTW -+ -+# The cast to long int works around a bug in the HP C Compiler -+# version HP92453-01 B.11.11.23709.GP, which incorrectly rejects -+# declarations like `int a3[[(sizeof (unsigned char)) >= 0]];'. -+# This bug is HP SR number 8606223364. -+{ $as_echo "$as_me:$LINENO: checking size of int *" >&5 -+$as_echo_n "checking size of int *... " >&6; } -+if test "${ac_cv_sizeof_int_p+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test "$cross_compiling" = yes; then -+ # Depending upon the size, compute the lo and hi bounds. -+cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+$ac_includes_default -+int -+main () -+{ -+static int test_array [1 - 2 * !(((long int) (sizeof (int *))) >= 0)]; -+test_array [0] = 0 -+ -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_lo=0 ac_mid=0 -+ while :; do -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+$ac_includes_default -+int -+main () -+{ -+static int test_array [1 - 2 * !(((long int) (sizeof (int *))) <= $ac_mid)]; -+test_array [0] = 0 -+ -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_hi=$ac_mid; break -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_lo=`expr $ac_mid + 1` -+ if test $ac_lo -le $ac_mid; then -+ ac_lo= ac_hi= -+ break -+ fi -+ ac_mid=`expr 2 '*' $ac_mid + 1` -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ done -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+$ac_includes_default -+int -+main () -+{ -+static int test_array [1 - 2 * !(((long int) (sizeof (int *))) < 0)]; -+test_array [0] = 0 -+ -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_hi=-1 ac_mid=-1 -+ while :; do -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+$ac_includes_default -+int -+main () -+{ -+static int test_array [1 - 2 * !(((long int) (sizeof (int *))) >= $ac_mid)]; -+test_array [0] = 0 -+ -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_lo=$ac_mid; break -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_hi=`expr '(' $ac_mid ')' - 1` -+ if test $ac_mid -le $ac_hi; then -+ ac_lo= ac_hi= -+ break -+ fi -+ ac_mid=`expr 2 '*' $ac_mid` -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ done -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_lo= ac_hi= -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+# Binary search between lo and hi bounds. -+while test "x$ac_lo" != "x$ac_hi"; do -+ ac_mid=`expr '(' $ac_hi - $ac_lo ')' / 2 + $ac_lo` -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+$ac_includes_default -+int -+main () -+{ -+static int test_array [1 - 2 * !(((long int) (sizeof (int *))) <= $ac_mid)]; -+test_array [0] = 0 -+ -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_hi=$ac_mid -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_lo=`expr '(' $ac_mid ')' + 1` -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+done -+case $ac_lo in -+?*) ac_cv_sizeof_int_p=$ac_lo;; -+'') if test "$ac_cv_type_int_p" = yes; then -+ { { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+{ { $as_echo "$as_me:$LINENO: error: cannot compute sizeof (int *) -+See \`config.log' for more details." >&5 -+$as_echo "$as_me: error: cannot compute sizeof (int *) -+See \`config.log' for more details." >&2;} -+ { (exit 77); exit 77; }; }; } -+ else -+ ac_cv_sizeof_int_p=0 -+ fi ;; -+esac -+else -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+$ac_includes_default -+static long int longval () { return (long int) (sizeof (int *)); } -+static unsigned long int ulongval () { return (long int) (sizeof (int *)); } -+#include -+#include -+int -+main () -+{ -+ -+ FILE *f = fopen ("conftest.val", "w"); -+ if (! f) -+ return 1; -+ if (((long int) (sizeof (int *))) < 0) -+ { -+ long int i = longval (); -+ if (i != ((long int) (sizeof (int *)))) -+ return 1; -+ fprintf (f, "%ld", i); -+ } -+ else -+ { -+ unsigned long int i = ulongval (); -+ if (i != ((long int) (sizeof (int *)))) -+ return 1; -+ fprintf (f, "%lu", i); -+ } -+ /* Do not output a trailing newline, as this causes \r\n confusion -+ on some platforms. */ -+ return ferror (f) || fclose (f) != 0; -+ -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { ac_try='./conftest$ac_exeext' -+ { (case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_try") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); }; }; then -+ ac_cv_sizeof_int_p=`cat conftest.val` -+else -+ $as_echo "$as_me: program exited with status $ac_status" >&5 -+$as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+( exit $ac_status ) -+if test "$ac_cv_type_int_p" = yes; then -+ { { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+{ { $as_echo "$as_me:$LINENO: error: cannot compute sizeof (int *) -+See \`config.log' for more details." >&5 -+$as_echo "$as_me: error: cannot compute sizeof (int *) -+See \`config.log' for more details." >&2;} -+ { (exit 77); exit 77; }; }; } -+ else -+ ac_cv_sizeof_int_p=0 -+ fi -+fi -+rm -rf conftest.dSYM -+rm -f core *.core core.conftest.* gmon.out bb.out conftest$ac_exeext conftest.$ac_objext conftest.$ac_ext -+fi -+rm -f conftest.val -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_sizeof_int_p" >&5 -+$as_echo "$ac_cv_sizeof_int_p" >&6; } -+ -+ -+ -+cat >>confdefs.h <<_ACEOF -+#define SIZEOF_INT_P $ac_cv_sizeof_int_p -+_ACEOF -+ -+ -+SIZEOF_INT_P=$ac_cv_sizeof_int_p -+ -+ -+# check if the structure mallinfo is present in malloc.h -+if test "${ac_cv_header_malloc_h+set}" = set; then -+ { $as_echo "$as_me:$LINENO: checking for malloc.h" >&5 -+$as_echo_n "checking for malloc.h... " >&6; } -+if test "${ac_cv_header_malloc_h+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_header_malloc_h" >&5 -+$as_echo "$ac_cv_header_malloc_h" >&6; } -+else -+ # Is the header compilable? -+{ $as_echo "$as_me:$LINENO: checking malloc.h usability" >&5 -+$as_echo_n "checking malloc.h usability... " >&6; } -+cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+$ac_includes_default -+#include -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_header_compiler=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_header_compiler=no -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+{ $as_echo "$as_me:$LINENO: result: $ac_header_compiler" >&5 -+$as_echo "$ac_header_compiler" >&6; } -+ -+# Is the header present? -+{ $as_echo "$as_me:$LINENO: checking malloc.h presence" >&5 -+$as_echo_n "checking malloc.h presence... " >&6; } -+cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+#include -+_ACEOF -+if { (ac_try="$ac_cpp conftest.$ac_ext" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_cpp conftest.$ac_ext") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } >/dev/null && { -+ test -z "$ac_c_preproc_warn_flag$ac_c_werror_flag" || -+ test ! -s conftest.err -+ }; then -+ ac_header_preproc=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_header_preproc=no -+fi -+ -+rm -f conftest.err conftest.$ac_ext -+{ $as_echo "$as_me:$LINENO: result: $ac_header_preproc" >&5 -+$as_echo "$ac_header_preproc" >&6; } -+ -+# So? What about this header? -+case $ac_header_compiler:$ac_header_preproc:$ac_c_preproc_warn_flag in -+ yes:no: ) -+ { $as_echo "$as_me:$LINENO: WARNING: malloc.h: accepted by the compiler, rejected by the preprocessor!" >&5 -+$as_echo "$as_me: WARNING: malloc.h: accepted by the compiler, rejected by the preprocessor!" >&2;} -+ { $as_echo "$as_me:$LINENO: WARNING: malloc.h: proceeding with the compiler's result" >&5 -+$as_echo "$as_me: WARNING: malloc.h: proceeding with the compiler's result" >&2;} -+ ac_header_preproc=yes -+ ;; -+ no:yes:* ) -+ { $as_echo "$as_me:$LINENO: WARNING: malloc.h: present but cannot be compiled" >&5 -+$as_echo "$as_me: WARNING: malloc.h: present but cannot be compiled" >&2;} -+ { $as_echo "$as_me:$LINENO: WARNING: malloc.h: check for missing prerequisite headers?" >&5 -+$as_echo "$as_me: WARNING: malloc.h: check for missing prerequisite headers?" >&2;} -+ { $as_echo "$as_me:$LINENO: WARNING: malloc.h: see the Autoconf documentation" >&5 -+$as_echo "$as_me: WARNING: malloc.h: see the Autoconf documentation" >&2;} -+ { $as_echo "$as_me:$LINENO: WARNING: malloc.h: section \"Present But Cannot Be Compiled\"" >&5 -+$as_echo "$as_me: WARNING: malloc.h: section \"Present But Cannot Be Compiled\"" >&2;} -+ { $as_echo "$as_me:$LINENO: WARNING: malloc.h: proceeding with the preprocessor's result" >&5 -+$as_echo "$as_me: WARNING: malloc.h: proceeding with the preprocessor's result" >&2;} -+ { $as_echo "$as_me:$LINENO: WARNING: malloc.h: in the future, the compiler will take precedence" >&5 -+$as_echo "$as_me: WARNING: malloc.h: in the future, the compiler will take precedence" >&2;} -+ -+ ;; -+esac -+{ $as_echo "$as_me:$LINENO: checking for malloc.h" >&5 -+$as_echo_n "checking for malloc.h... " >&6; } -+if test "${ac_cv_header_malloc_h+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_cv_header_malloc_h=$ac_header_preproc -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_header_malloc_h" >&5 -+$as_echo "$ac_cv_header_malloc_h" >&6; } -+ -+fi -+if test "x$ac_cv_header_malloc_h" = x""yes; then -+ have_malloc_h=1 -+else -+ have_malloc_h=0 -+fi -+ -+ -+if test "$have_malloc_h" -ne 0 -+then -+{ $as_echo "$as_me:$LINENO: checking for struct mallinfo.arena" >&5 -+$as_echo_n "checking for struct mallinfo.arena... " >&6; } -+if test "${ac_cv_member_struct_mallinfo_arena+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+#include -+ -+int -+main () -+{ -+static struct mallinfo ac_aggr; -+if (ac_aggr.arena) -+return 0; -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_cv_member_struct_mallinfo_arena=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+#include -+ -+int -+main () -+{ -+static struct mallinfo ac_aggr; -+if (sizeof ac_aggr.arena) -+return 0; -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_cv_member_struct_mallinfo_arena=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_cv_member_struct_mallinfo_arena=no -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_member_struct_mallinfo_arena" >&5 -+$as_echo "$ac_cv_member_struct_mallinfo_arena" >&6; } -+if test "x$ac_cv_member_struct_mallinfo_arena" = x""yes; then -+ cat >>confdefs.h <<\_ACEOF -+#define HAVE_MALLINFO 1 -+_ACEOF -+ -+fi -+ -+ -+fi -+ -+ -+ -+# Checking F77... -+ -+ -+# candidate f77 compilers good for all cases -+try_f77="$f90" -+ -+case "$arch:$f90_version" in -+*:pgf90 ) -+ try_f77="pgf77 $f90" -+ ;; -+aix:*xlf*_r ) -+ try_f77="xlf_r $f90" -+ ;; -+aix:*xlf* ) -+ try_f77="xlf $f90" -+ ;; -+sparc:* | solaris:sunf95 ) -+ try_f77="f77 $f90" -+ ;; -+ppc64-bg*:*xlf90_r ) -+ try_f77="bgxlf_r" -+ ;; -+ppc64-bg*:*xlf90 ) -+ try_f77="bgxlf" -+ ;; -+ppc64:*xlf* | ppc64-mn:*xlf* ) -+ try_f77="xlf_r $f90" -+ ;; -+esac -+ -+# check serial Fortran 77 compiler (use F77 if it was set) -+if test "$f77" = "" ; then f77="$try_f77" ; fi -+ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+if test -n "$ac_tool_prefix"; then -+ for ac_prog in $f77 -+ do -+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. -+set dummy $ac_tool_prefix$ac_prog; ac_word=$2 -+{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if test "${ac_cv_prog_F77+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$F77"; then -+ ac_cv_prog_F77="$F77" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ ac_cv_prog_F77="$ac_tool_prefix$ac_prog" -+ $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+done -+IFS=$as_save_IFS -+ -+fi -+fi -+F77=$ac_cv_prog_F77 -+if test -n "$F77"; then -+ { $as_echo "$as_me:$LINENO: result: $F77" >&5 -+$as_echo "$F77" >&6; } -+else -+ { $as_echo "$as_me:$LINENO: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$F77" && break -+ done -+fi -+if test -z "$F77"; then -+ ac_ct_F77=$F77 -+ for ac_prog in $f77 -+do -+ # Extract the first word of "$ac_prog", so it can be a program name with args. -+set dummy $ac_prog; ac_word=$2 -+{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if test "${ac_cv_prog_ac_ct_F77+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$ac_ct_F77"; then -+ ac_cv_prog_ac_ct_F77="$ac_ct_F77" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ ac_cv_prog_ac_ct_F77="$ac_prog" -+ $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+done -+IFS=$as_save_IFS -+ -+fi -+fi -+ac_ct_F77=$ac_cv_prog_ac_ct_F77 -+if test -n "$ac_ct_F77"; then -+ { $as_echo "$as_me:$LINENO: result: $ac_ct_F77" >&5 -+$as_echo "$ac_ct_F77" >&6; } -+else -+ { $as_echo "$as_me:$LINENO: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ test -n "$ac_ct_F77" && break -+done -+ -+ if test "x$ac_ct_F77" = x; then -+ F77="" -+ else -+ case $cross_compiling:$ac_tool_warned in -+yes:) -+{ $as_echo "$as_me:$LINENO: WARNING: using cross tools not prefixed with host triplet" >&5 -+$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} -+ac_tool_warned=yes ;; -+esac -+ F77=$ac_ct_F77 -+ fi -+fi -+ -+ -+# Provide some information about the compiler. -+$as_echo "$as_me:$LINENO: checking for Fortran 77 compiler version" >&5 -+set X $ac_compile -+ac_compiler=$2 -+{ (ac_try="$ac_compiler --version >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compiler --version >&5") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } -+{ (ac_try="$ac_compiler -v >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compiler -v >&5") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } -+{ (ac_try="$ac_compiler -V >&5" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compiler -V >&5") 2>&5 -+ ac_status=$? -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } -+rm -f a.out -+ -+# If we don't use `.F' as extension, the preprocessor is not run on the -+# input file. (Note that this only needs to work for GNU compilers.) -+ac_save_ext=$ac_ext -+ac_ext=F -+{ $as_echo "$as_me:$LINENO: checking whether we are using the GNU Fortran 77 compiler" >&5 -+$as_echo_n "checking whether we are using the GNU Fortran 77 compiler... " >&6; } -+if test "${ac_cv_f77_compiler_gnu+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.$ac_ext <<_ACEOF -+ program main -+#ifndef __GNUC__ -+ choke me -+#endif -+ -+ end -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_compiler_gnu=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_compiler_gnu=no -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ac_cv_f77_compiler_gnu=$ac_compiler_gnu -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_f77_compiler_gnu" >&5 -+$as_echo "$ac_cv_f77_compiler_gnu" >&6; } -+ac_ext=$ac_save_ext -+ac_test_FFLAGS=${FFLAGS+set} -+ac_save_FFLAGS=$FFLAGS -+FFLAGS= -+{ $as_echo "$as_me:$LINENO: checking whether $F77 accepts -g" >&5 -+$as_echo_n "checking whether $F77 accepts -g... " >&6; } -+if test "${ac_cv_prog_f77_g+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ FFLAGS=-g -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_cv_prog_f77_g=yes -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_cv_prog_f77_g=no -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_prog_f77_g" >&5 -+$as_echo "$ac_cv_prog_f77_g" >&6; } -+if test "$ac_test_FFLAGS" = set; then -+ FFLAGS=$ac_save_FFLAGS -+elif test $ac_cv_prog_f77_g = yes; then -+ if test "x$ac_cv_f77_compiler_gnu" = xyes; then -+ FFLAGS="-g -O2" -+ else -+ FFLAGS="-g" -+ fi -+else -+ if test "x$ac_cv_f77_compiler_gnu" = xyes; then -+ FFLAGS="-O2" -+ else -+ FFLAGS= -+ fi -+fi -+ -+if test $ac_compiler_gnu = yes; then -+ G77=yes -+else -+ G77= -+fi -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+f77=$F77 -+ -+echo setting F77... $f77 -+ -+ -+ -+ -+ -+# Checking F90... -+ -+ -+# debug flags are implemented only for a few cases -+# Check whether --enable-debug was given. -+if test "${enable_debug+set}" = set; then -+ enableval=$enable_debug; if test "$enableval" = "yes" ; then -+ use_debug=1 -+ else -+ use_debug=0 -+ fi -+else -+ use_debug=0 -+fi -+ -+ -+# shared library flags are implemented only for a few (untested) cases -+# Check whether --enable-shared was given. -+if test "${enable_shared+set}" = set; then -+ enableval=$enable_shared; if test "$enableval" = "yes" ; then -+ use_shared=1 -+ else -+ use_shared=0 -+ fi -+else -+ use_shared=1 -+fi -+ -+ -+# check Fortran compiler flags -+# have_cpp=0: use external C preprocessing for fortran code -+# have_cpp=1: use C-like preprocessing in fortran compiler -+have_cpp=1 -+xlf_flags=0 -+ -+echo using F90... $f90 -+ -+case "$arch:$f90_version" in -+ia32:ifort* | ia64:ifort* | x86_64:ifort* | mac686:ifort* | crayxt*:ifort* ) -+ try_fflags="-O2 -assume byterecl -g -traceback -par-report0 -vec-report0" -+ if test "$use_debug" -eq 1; then -+ try_fflags="$try_fflags -fpe0 -CB" -+ fi -+ try_fflags_nomain="-nofor_main" -+ try_fflags_openmp="-openmp" -+ try_f90flags="\$(FFLAGS) -nomodule" -+ try_fflags_noopt="-O0 -assume byterecl -g -traceback" -+ try_ldflags="" -+ try_ldflags_static="-static" -+ try_ldflags_openmp="-openmp" -+ try_dflags="$try_dflags -D__INTEL" -+ pre_fdflags="-fpp " -+ ;; -+x86_64:nagfor* ) -+ try_fflags="-O3 -kind=byte -dcfuns -mismatch" -+ if test "$use_debug" -eq 1; then -+ try_fflags="$try_fflags -g" -+ fi -+ try_fflags_nomain="" -+ try_fflags_openmp="-openmp" -+ try_f90flags="-O3 -kind=byte -dcfuns -mismatch" -+ try_fflags_noopt="-O0 -kind=byte -dcfuns -mismatch" -+ try_ldflags="" -+ try_ldflags_static="-unsharedrts" -+ try_ldflags_openmp="-openmp" -+ # -D__GFORTRAN needed -+ try_dflags="$try_dflags -D__NAG -D__GFORTRAN" -+ have_cpp=0 -+ ;; -+ia32:pgf* | ia64:pgf* | x86_64:pgf* ) -+ try_fflags_nomain="-Mnomain" -+ try_fflags="-fast -r8" -+ try_fflags_openmp="-mp" -+ try_f90flags="-fast -r8 -Mcache_align" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ try_ldflags_openmp="-mp" -+ try_ldflags_static="-Bstatic" -+ try_dflags="$try_dflags -D__PGI" -+ have_cpp=0 -+ ;; -+ia32:path* | ia64:path* | x86_64:path* ) -+ try_fflags="-march=auto -O2" -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ try_ldflags_static="-static" -+ have_cpp=0 -+ ;; -+*:g95 ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-O3 -g -freal=nan -finteger=12345678 -flogical=none -cpp" -+ else -+ try_fflags="-O3 -cpp" -+ fi -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0 -cpp" -+ try_ldflags="" -+ try_ldflags_static="-static" -+ ;; -+*:*gfortran ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-O3 -g -Wall -fbounds-check -frange-check" -+ else -+ try_fflags="-O3 -g" -+ fi -+ try_fflags_openmp="-fopenmp" -+ try_f90flags="\$(FFLAGS) -x f95-cpp-input" -+ try_fflags_noopt="-O0 -g" -+ try_ldflags="-g -pthread" -+ try_ldflags_openmp="-fopenmp" -+ try_dflags="$try_dflags -D__GFORTRAN -D__STD_F95" -+ try_ldflags_static="-static" -+ ;; -+*:sunf95 ) -+ try_fflags="-O4" -+ try_fflags_openmp="-openmp" -+ try_f90flags="\$(FFLAGS) -fpp" -+ try_fflags_noopt="-O0" -+ try_ldflags="-fast" -+ try_ldflags_static="-Bstatic" -+ imod="-M" -+ ;; -+*:openf95 ) -+ try_fflags="-O3" -+ try_f90flags="\$(FFLAGS) -ftpp" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ imod="-I" -+ ;; -+aix:*xlf* ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-q64 -qalias=noaryovrlp -g -C \ -+-qarch=auto -qtune=auto -qdpc -Q -qalias=nointptr" -+ else -+ try_fflags="-q64 -qalias=noaryovrlp -O3 -qstrict \ -+-qarch=auto -qtune=auto -qdpc -Q -qalias=nointptr" -+ fi -+ try_fflags_openmp="-qsmp=omp" -+ try_f90flags="\$(FFLAGS) -qsuffix=cpp=f90 -qfree=f90" -+ try_fflags_noopt="-q64 -O0" -+ try_ldflags="-q64" -+ try_ldflags_openmp="-qsmp=omp" -+ # try_ldflags_static="-bstatic" -+ pre_fdflags="-WF," -+ xlf_flags=1 -+ ;; -+solaris:sunf95 ) -+ try_fflags="-fast -O2 -fpp" -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0 " -+ try_ldflags="" -+ imod="-M" -+ ;; -+sparc:f90 ) -+ try_fflags="-fast -O1 -nodepend -xvector=no -xchip=ultra3 \ -+-xarch=v8plusb -xlic_lib=sunperf" -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0 -xlic_lib=sunperf" -+ try_ldflags="" -+ imod="-M" -+ have_cpp=0 -+ ;; -+crayxt*:cray* ) -+ try_fflags_nomain="" -+ #NOTE: by default OpenMP is always ON (see crayftn man page) -+ try_fflags_openmp="-homp" -+ try_fflags="-O2" -+ #NOTE: add '-rm' to get messages from crayftn about why -+ # optimizations have not been applied -+ try_f90flags="-O3,fp3 -f free" -+ try_fflags_noopt="-O0" -+ try_ldflags_openmp="-homp" -+ try_ldflags="-v" -+ try_ldflags_static="-static" -+ try_dflags="$try_dflags -D__CRAY" -+ have_cpp=0 -+ ;; -+crayxt*:pgf* ) -+# see comment above for pgf* -+ try_fflags_nomain="-Mnomain" -+ try_fflags_openmp="-mp" -+ try_fflags="-O3 -r8" -+ try_f90flags="-fast -Mcache_align -r8 -Mpreprocess" -+ try_fflags_noopt="-O0" -+ try_ldflags_openmp="-mp" -+ try_ldflags="-v" -+ try_dflags="$try_dflags -D__PGI -D__IOTK_WORKAROUND1" -+ have_cpp=1 -+ ;; -+crayxt*:pathf* ) -+ try_fflags="-march=auto -O2 -cpp" -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ try_ldflags_static="-static" -+ have_cpp=1 -+ ;; -+necsx:* ) -+ try_fflags=' -float0 -Cvopt -eab -R5 -Wf,-Ncont,-A dbl4,-P nh,-ptr byte,-pvctl noifopt loopcnt=9999999 expand=12 fullmsg vwork=stack,-fusion,-O noif,-init stack=nan heap=nan' -+ try_f90flags=' -f2003 -float0 -Cvopt -eab -R5 -Wf,-Ncont,-A dbl4,-P nh,-ptr byte,-pvctl noifopt loopcnt=9999999 expand=12 fullmsg vwork=stack,-fusion,-O noif,-init stack=nan heap=nan' -+ try_f90flags="-$sxopt $try_f90flags" -+ try_fflags_noopt='-float0 ' -+ try_f90flags_noopt='-f2003 -float0 -eab -R5 -C debug -Wf,-Ncont,-A dbl4,-P nh ,ptr byte,-init stack=nan heap=nan' -+ try_f90flags_noopt="$try_f90flags_noopt" -+ try_f90flags_inline='-f2003 -float0 -Cvopt -eab -R5 -pi noauto incdir exp=w0gauss -Wf,-Ncont,-A dbl4,-P nh,-ptr byte,-pvctl noifopt loopcnt=9999999 expand=12 fullmsg vwork=stack,-fusion,-O noif,-init stack=nan heap=nan' -+ try_f90flags_inline="$try_f90flags_inline" -+ try_ldflags_static='-P static' -+ try_ldflags='-Wl,-f zero' -+ try_ldflags="-p $try_ldflags" -+ pre_fdflags="" -+ ;; -+ -+ppc64:*xlf* ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-g -C -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q" -+ else -+ try_fflags="-q64 -qthreaded -O4 -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q" -+ fi -+ try_f90flags="\$(FFLAGS) -qfree=f90" -+ try_fflags_noopt="-q64 -qthreaded -O0" -+ try_ldflags="-q64 -qthreaded" -+ pre_fdflags="-WF," -+ xlf_flags=1 -+ ;; -+ppc64-mn:*xlf* ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-g -C -q64 -qstrict -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q -qtune=ppc970 -qarch=ppc970 -qcache=auto -qhot=vector,simd -qenablevmx" -+ else -+ try_fflags="-O3 -q64 -qstrict -qsuffix=cpp=f90 -qdpc -qalias=nointptr -Q -qtune=ppc970 -qarch=ppc970 -qcache=auto -qhot=vector,simd -qenablevmx" -+ fi -+ try_f90flags="\$(FFLAGS) -qfree=f90" -+ try_fflags_noopt="-O0 -q64" -+ try_ldflags="" -+ pre_fdflags="-WF," -+ xlf_flags=1 -+ ;; -+ppc64-bg:*xlf* ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-q32 -qalias=noaryovrlp:nointptr -g -C -qdpc=e" -+ else -+ try_fflags="-q32 -qalias=noaryovrlp:nointptr -O3 -qstrict -qdpc=e" -+ fi -+ try_fflags_openmp="-qsmp=omp -qthreaded" -+ try_f90flags="\$(FFLAGS) -qsuffix=cpp=f90" -+ try_fflags_noopt="-q32 -O0" -+ try_ldflags="-q32" -+ try_ldflags_openmp="-qsmp=omp -qthreaded" -+ pre_fdflags="-WF," -+ xlf_flags=1 -+ ;; -+ppc64-bgq:*xlf* ) -+ if test "$use_debug" -eq 1; then -+ try_fflags="-qalias=noaryovrlp:nointptr -g -C -qdpc=e" -+ else -+ try_fflags="-qalias=noaryovrlp:nointptr -O3 -qstrict -qdpc=e -qarch=qp -qtune=qp" -+ fi -+ try_fflags_openmp="-qsmp=noauto:omp -qtm -qthreaded" -+ try_f90flags="\$(FFLAGS) -qsuffix=cpp=f90" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ try_ldflags_openmp="-qstatic -qsmp=noauto:omp -qtm -qthreaded" -+ pre_fdflags="-WF," -+ xlf_flags=1 -+ ;; -+ -+* ) -+ # unknown, try these -+ try_fflags="-O1" -+ try_f90flags="\$(FFLAGS)" -+ try_fflags_noopt="-O0" -+ try_ldflags="" -+ have_cpp=0 -+ ;; -+ -+esac -+ -+if test "$use_shared" -eq 0 ; then -+ try_ldflags="$try_ldflags $try_ldflags_static" ; fi -+ -+# Checking OpenMP... -+ -+ -+# Check whether --enable-openmp was given. -+if test "${enable_openmp+set}" = set; then -+ enableval=$enable_openmp; if test "$enableval" = "yes" ; then -+ use_openmp=1 -+ else -+ use_openmp=0 -+ fi -+else -+ use_openmp=0 -+fi -+ -+ -+# preprocessing flag for OpenMP -+if test "$use_openmp" -eq 1 ; then try_dflags="$try_dflags -D__OPENMP" ; fi -+ -+ -+ -+if test "$use_openmp" -eq 1 ; then -+ try_f90flags="$try_f90flags $try_fflags_openmp" -+ try_fflags="$try_fflags $try_fflags_openmp" -+ try_ldflags="$try_ldflags $try_ldflags_openmp" -+fi -+ -+if test "$fflags" = "" ; then fflags=$try_fflags ; fi -+if test "$f90flags" = "" ; then f90flags=$try_f90flags ; fi -+if test "$fflags_noopt" = "" ; then fflags_noopt=$try_fflags_noopt ; fi -+if test "$fflags_nomain" = "" ; then fflags_nomain=$try_fflags_nomain ; fi -+ -+echo setting FFLAGS... $fflags -+echo setting F90FLAGS... $f90flags -+echo setting FFLAGS_NOOPT... $fflags_noopt -+if test "$fflags_nomain" != "" ; then echo setting FFLAGS_NOMAIN... $fflags_nomain ; fi -+ -+if test "$imod" = "" ; then imod="-I" ; fi -+ -+# compilation flags for all subsequent tests -+# remove all $(...) because at least one compiler doesn't like them -+# but if f90flags contains $(FFLAGS), substitute it -+if test "`echo $f90flags | grep '$(FFLAGS)'`" != "" -+then -+ test_fflags="`echo $fflags $f90flags | sed 's/\$([^)]*)//g'`" -+else -+ test_fflags="`echo $f90flags | sed 's/\$([^)]*)//g'`" -+fi -+ -+ -+ -+ -+ -+ -+ -+ -+ -+ -+# Checking preprocessor... -+ -+ -+# preprocessor - try cpp in all cases; the preprocessor returned by -+# AC_PROG_CPP -+# may sometimes refuse to preprocess fortran files -+if test "$cpp" = "" ; then cpp=$try_cpp; fi -+# if test "$cpp" = "" ; then cpp=$CPP; fi -+echo setting CPP... $cpp -+ -+echo $ECHO_N "setting CPPFLAGS... $ECHO_C" -+case $cpp in -+ cpp) try_cppflags="-P -C -traditional" ;; -+ fpp) try_cppflags="-P -C " ;; -+ *) try_cppflags="" ;; -+esac -+if test "$cppflags" = "" ; then cppflags=$try_cppflags ; fi -+echo "${ECHO_T}$cppflags" -+ -+# compilation flags for all subsequent tests -+test_cppflags="$test_cflags" -+ -+ -+ -+ -+ -+ -+ -+# Checking linker... -+ -+ -+# linker and archiver -+# note that from this point on, further additions to -+# linker flags should be added to ldflags rather than try_ldflags -+if test "$ld" = "" ; then ld="$mpif90" ; fi -+if test "$ldflags" = "" ; then ldflags="$try_ldflags" ; fi -+echo setting LD... $ld -+echo setting LDFLAGS... $ldflags -+ -+# compilation flags for all subsequent tests -+test_ldflags="`echo $ldflags | sed 's/\$([^)]*)//g'`" -+ -+ -+ -+ -+ -+ -+ -+# Checking F90 rule... -+ -+ -+{ $as_echo "$as_me:$LINENO: checking whether ${MAKE-make} sets \$(MAKE)" >&5 -+$as_echo_n "checking whether ${MAKE-make} sets \$(MAKE)... " >&6; } -+set x ${MAKE-make} -+ac_make=`$as_echo "$2" | sed 's/+/p/g; s/[^a-zA-Z0-9_]/_/g'` -+if { as_var=ac_cv_prog_make_${ac_make}_set; eval "test \"\${$as_var+set}\" = set"; }; then -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.make <<\_ACEOF -+SHELL = /bin/sh -+all: -+ @echo '@@@%%%=$(MAKE)=@@@%%%' -+_ACEOF -+# GNU make sometimes prints "make[1]: Entering...", which would confuse us. -+case `${MAKE-make} -f conftest.make 2>/dev/null` in -+ *@@@%%%=?*=@@@%%%*) -+ eval ac_cv_prog_make_${ac_make}_set=yes;; -+ *) -+ eval ac_cv_prog_make_${ac_make}_set=no;; -+esac -+rm -f conftest.make -+fi -+if eval test \$ac_cv_prog_make_${ac_make}_set = yes; then -+ { $as_echo "$as_me:$LINENO: result: yes" >&5 -+$as_echo "yes" >&6; } -+ SET_MAKE= -+else -+ { $as_echo "$as_me:$LINENO: result: no" >&5 -+$as_echo "no" >&6; } -+ SET_MAKE="MAKE=${MAKE-make}" -+fi -+ -+echo $ECHO_N "checking whether Fortran files must be preprocessed... $ECHO_C" -+if test "$have_cpp" -ne 0 -+then -+ f90rule="\$(MPIF90) \$(F90FLAGS) -c \$<" -+ echo "${ECHO_T}no" -+else -+ f90rule="\$(CPP) \$(CPPFLAGS) \$< -o \$(*).F90 ; \\ -+ \$(MPIF90) \$(F90FLAGS) -c \$(*).F90 -o \$(*).o" -+ echo "${ECHO_T}yes" -+fi -+ -+ -+ -+ -+ -+# find Fortran to C wrappers -+ -+ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+{ $as_echo "$as_me:$LINENO: checking how to get verbose linking output from $F77" >&5 -+$as_echo_n "checking how to get verbose linking output from $F77... " >&6; } -+if test "${ac_cv_prog_f77_v+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ ac_cv_prog_f77_v= -+# Try some options frequently used verbose output -+for ac_verb in -v -verbose --verbose -V -\#\#\#; do -+ cat >conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+ -+# Compile and link our simple test program by passing a flag (argument -+# 1 to this macro) to the Fortran compiler in order to get -+# "verbose" output that we can then parse for the Fortran linker -+# flags. -+ac_save_FFLAGS=$FFLAGS -+FFLAGS="$FFLAGS $ac_verb" -+eval "set x $ac_link" -+shift -+$as_echo "$as_me:$LINENO: $*" >&5 -+# gfortran 4.3 outputs lines setting COLLECT_GCC_OPTIONS, COMPILER_PATH, -+# LIBRARY_PATH; skip all such settings. -+ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | -+ grep -v 'Driving:' | grep -v "^[_$as_cr_Letters][_$as_cr_alnum]*="` -+$as_echo "$ac_f77_v_output" >&5 -+FFLAGS=$ac_save_FFLAGS -+ -+rm -rf conftest* -+ -+# On HP/UX there is a line like: "LPATH is: /foo:/bar:/baz" where -+# /foo, /bar, and /baz are search directories for the Fortran linker. -+# Here, we change these into -L/foo -L/bar -L/baz (and put it first): -+ac_f77_v_output="`echo $ac_f77_v_output | -+ grep 'LPATH is:' | -+ sed 's|.*LPATH is\(: *[^ ]*\).*|\1|;s|: */| -L/|g'` $ac_f77_v_output" -+ -+# FIXME: we keep getting bitten by quoted arguments; a more general fix -+# that detects unbalanced quotes in FLIBS should be implemented -+# and (ugh) tested at some point. -+case $ac_f77_v_output in -+ # If we are using xlf then replace all the commas with spaces. -+ *xlfentry*) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed 's/,/ /g'` ;; -+ -+ # With Intel ifc, ignore the quoted -mGLOB_options_string stuff (quoted -+ # $LIBS confuse us, and the libraries appear later in the output anyway). -+ *mGLOB_options_string*) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed 's/"-mGLOB[^"]*"/ /g'` ;; -+ -+ # Portland Group compiler has singly- or doubly-quoted -cmdline argument -+ # Singly-quoted arguments were reported for versions 5.2-4 and 6.0-4. -+ # Doubly-quoted arguments were reported for "PGF90/x86 Linux/x86 5.0-2". -+ *-cmdline\ * | *-ignore\ * | *-def\ *) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed "\ -+ s/-cmdline *'[^']*'/ /g; s/-cmdline *\"[^\"]*\"/ /g -+ s/-ignore *'[^']*'/ /g; s/-ignore *\"[^\"]*\"/ /g -+ s/-def *'[^']*'/ /g; s/-def *\"[^\"]*\"/ /g"` ;; -+ -+ # If we are using Cray Fortran then delete quotes. -+ *cft90*) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed 's/"//g'` ;; -+esac -+ -+ -+ # look for -l* and *.a constructs in the output -+ for ac_arg in $ac_f77_v_output; do -+ case $ac_arg in -+ [\\/]*.a | ?:[\\/]*.a | -[lLRu]*) -+ ac_cv_prog_f77_v=$ac_verb -+ break 2 ;; -+ esac -+ done -+done -+if test -z "$ac_cv_prog_f77_v"; then -+ { $as_echo "$as_me:$LINENO: WARNING: cannot determine how to obtain linking information from $F77" >&5 -+$as_echo "$as_me: WARNING: cannot determine how to obtain linking information from $F77" >&2;} -+fi -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ { $as_echo "$as_me:$LINENO: WARNING: compilation failed" >&5 -+$as_echo "$as_me: WARNING: compilation failed" >&2;} -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_prog_f77_v" >&5 -+$as_echo "$ac_cv_prog_f77_v" >&6; } -+{ $as_echo "$as_me:$LINENO: checking for Fortran 77 libraries of $F77" >&5 -+$as_echo_n "checking for Fortran 77 libraries of $F77... " >&6; } -+if test "${ac_cv_f77_libs+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test "x$FLIBS" != "x"; then -+ ac_cv_f77_libs="$FLIBS" # Let the user override the test. -+else -+ -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ -+ end -+_ACEOF -+ -+# Compile and link our simple test program by passing a flag (argument -+# 1 to this macro) to the Fortran compiler in order to get -+# "verbose" output that we can then parse for the Fortran linker -+# flags. -+ac_save_FFLAGS=$FFLAGS -+FFLAGS="$FFLAGS $ac_cv_prog_f77_v" -+eval "set x $ac_link" -+shift -+$as_echo "$as_me:$LINENO: $*" >&5 -+# gfortran 4.3 outputs lines setting COLLECT_GCC_OPTIONS, COMPILER_PATH, -+# LIBRARY_PATH; skip all such settings. -+ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | -+ grep -v 'Driving:' | grep -v "^[_$as_cr_Letters][_$as_cr_alnum]*="` -+$as_echo "$ac_f77_v_output" >&5 -+FFLAGS=$ac_save_FFLAGS -+ -+rm -rf conftest* -+ -+# On HP/UX there is a line like: "LPATH is: /foo:/bar:/baz" where -+# /foo, /bar, and /baz are search directories for the Fortran linker. -+# Here, we change these into -L/foo -L/bar -L/baz (and put it first): -+ac_f77_v_output="`echo $ac_f77_v_output | -+ grep 'LPATH is:' | -+ sed 's|.*LPATH is\(: *[^ ]*\).*|\1|;s|: */| -L/|g'` $ac_f77_v_output" -+ -+# FIXME: we keep getting bitten by quoted arguments; a more general fix -+# that detects unbalanced quotes in FLIBS should be implemented -+# and (ugh) tested at some point. -+case $ac_f77_v_output in -+ # If we are using xlf then replace all the commas with spaces. -+ *xlfentry*) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed 's/,/ /g'` ;; -+ -+ # With Intel ifc, ignore the quoted -mGLOB_options_string stuff (quoted -+ # $LIBS confuse us, and the libraries appear later in the output anyway). -+ *mGLOB_options_string*) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed 's/"-mGLOB[^"]*"/ /g'` ;; -+ -+ # Portland Group compiler has singly- or doubly-quoted -cmdline argument -+ # Singly-quoted arguments were reported for versions 5.2-4 and 6.0-4. -+ # Doubly-quoted arguments were reported for "PGF90/x86 Linux/x86 5.0-2". -+ *-cmdline\ * | *-ignore\ * | *-def\ *) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed "\ -+ s/-cmdline *'[^']*'/ /g; s/-cmdline *\"[^\"]*\"/ /g -+ s/-ignore *'[^']*'/ /g; s/-ignore *\"[^\"]*\"/ /g -+ s/-def *'[^']*'/ /g; s/-def *\"[^\"]*\"/ /g"` ;; -+ -+ # If we are using Cray Fortran then delete quotes. -+ *cft90*) -+ ac_f77_v_output=`echo $ac_f77_v_output | sed 's/"//g'` ;; -+esac -+ -+ -+ -+ac_cv_f77_libs= -+ -+# Save positional arguments (if any) -+ac_save_positional="$@" -+ -+set X $ac_f77_v_output -+while test $# != 1; do -+ shift -+ ac_arg=$1 -+ case $ac_arg in -+ [\\/]*.a | ?:[\\/]*.a) -+ ac_exists=false -+ for ac_i in $ac_cv_f77_libs; do -+ if test x"$ac_arg" = x"$ac_i"; then -+ ac_exists=true -+ break -+ fi -+ done -+ -+ if test x"$ac_exists" = xtrue; then -+ : -+else -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -+fi -+ -+ ;; -+ -bI:*) -+ ac_exists=false -+ for ac_i in $ac_cv_f77_libs; do -+ if test x"$ac_arg" = x"$ac_i"; then -+ ac_exists=true -+ break -+ fi -+ done -+ -+ if test x"$ac_exists" = xtrue; then -+ : -+else -+ if test "$ac_compiler_gnu" = yes; then -+ for ac_link_opt in $ac_arg; do -+ ac_cv_f77_libs="$ac_cv_f77_libs -Xlinker $ac_link_opt" -+ done -+else -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -+fi -+fi -+ -+ ;; -+ # Ignore these flags. -+ -lang* | -lcrt*.o | -lc | -lgcc* | -lSystem | -libmil | -LANG:=* | -LIST:* | -LNO:*) -+ ;; -+ -lkernel32) -+ test x"$CYGWIN" != xyes && ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -+ ;; -+ -[LRuYz]) -+ # These flags, when seen by themselves, take an argument. -+ # We remove the space between option and argument and re-iterate -+ # unless we find an empty arg or a new option (starting with -) -+ case $2 in -+ "" | -*);; -+ *) -+ ac_arg="$ac_arg$2" -+ shift; shift -+ set X $ac_arg "$@" -+ ;; -+ esac -+ ;; -+ -YP,*) -+ for ac_j in `$as_echo "$ac_arg" | sed -e 's/-YP,/-L/;s/:/ -L/g'`; do -+ ac_exists=false -+ for ac_i in $ac_cv_f77_libs; do -+ if test x"$ac_j" = x"$ac_i"; then -+ ac_exists=true -+ break -+ fi -+ done -+ -+ if test x"$ac_exists" = xtrue; then -+ : -+else -+ ac_arg="$ac_arg $ac_j" -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_j" -+fi -+ -+ done -+ ;; -+ -[lLR]*) -+ ac_exists=false -+ for ac_i in $ac_cv_f77_libs; do -+ if test x"$ac_arg" = x"$ac_i"; then -+ ac_exists=true -+ break -+ fi -+ done -+ -+ if test x"$ac_exists" = xtrue; then -+ : -+else -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -+fi -+ -+ ;; -+ -zallextract*| -zdefaultextract) -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_arg" -+ ;; -+ # Ignore everything else. -+ esac -+done -+# restore positional arguments -+set X $ac_save_positional; shift -+ -+# We only consider "LD_RUN_PATH" on Solaris systems. If this is seen, -+# then we insist that the "run path" must be an absolute path (i.e. it -+# must begin with a "/"). -+case `(uname -sr) 2>/dev/null` in -+ "SunOS 5"*) -+ ac_ld_run_path=`$as_echo "$ac_f77_v_output" | -+ sed -n 's,^.*LD_RUN_PATH *= *\(/[^ ]*\).*$,-R\1,p'` -+ test "x$ac_ld_run_path" != x && -+ if test "$ac_compiler_gnu" = yes; then -+ for ac_link_opt in $ac_ld_run_path; do -+ ac_cv_f77_libs="$ac_cv_f77_libs -Xlinker $ac_link_opt" -+ done -+else -+ ac_cv_f77_libs="$ac_cv_f77_libs $ac_ld_run_path" -+fi -+ ;; -+esac -+fi # test "x$[]_AC_LANG_PREFIX[]LIBS" = "x" -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_f77_libs" >&5 -+$as_echo "$ac_cv_f77_libs" >&6; } -+FLIBS="$ac_cv_f77_libs" -+ -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ -+{ $as_echo "$as_me:$LINENO: checking for dummy main to link with Fortran 77 libraries" >&5 -+$as_echo_n "checking for dummy main to link with Fortran 77 libraries... " >&6; } -+if test "${ac_cv_f77_dummy_main+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_f77_dm_save_LIBS=$LIBS -+ LIBS="$LIBS $FLIBS" -+ ac_fortran_dm_var=F77_DUMMY_MAIN -+ ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ # First, try linking without a dummy main: -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+ -+#ifdef F77_DUMMY_MAIN -+ -+# ifdef __cplusplus -+ extern "C" -+# endif -+ int F77_DUMMY_MAIN() { return 1; } -+ -+#endif -+int -+main () -+{ -+ -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_fortran_dummy_main=none -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ ac_cv_fortran_dummy_main=unknown -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext conftest.$ac_ext -+ -+ if test $ac_cv_fortran_dummy_main = unknown; then -+ for ac_func in MAIN__ MAIN_ __main MAIN _MAIN __MAIN main_ main__ _main; do -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+#define $ac_fortran_dm_var $ac_func -+#ifdef F77_DUMMY_MAIN -+ -+# ifdef __cplusplus -+ extern "C" -+# endif -+ int F77_DUMMY_MAIN() { return 1; } -+ -+#endif -+int -+main () -+{ -+ -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_fortran_dummy_main=$ac_func; break -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext conftest.$ac_ext -+ done -+ fi -+ ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ ac_cv_f77_dummy_main=$ac_cv_fortran_dummy_main -+ rm -rf conftest* -+ LIBS=$ac_f77_dm_save_LIBS -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_f77_dummy_main" >&5 -+$as_echo "$ac_cv_f77_dummy_main" >&6; } -+F77_DUMMY_MAIN=$ac_cv_f77_dummy_main -+if test "$F77_DUMMY_MAIN" != unknown; then -+ if test $F77_DUMMY_MAIN != none; then -+ -+cat >>confdefs.h <<_ACEOF -+#define F77_DUMMY_MAIN $F77_DUMMY_MAIN -+_ACEOF -+ -+ if test "x$ac_cv_fc_dummy_main" = "x$ac_cv_f77_dummy_main"; then -+ -+cat >>confdefs.h <<\_ACEOF -+#define FC_DUMMY_MAIN_EQ_F77 1 -+_ACEOF -+ -+ fi -+fi -+else -+ { { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+{ { $as_echo "$as_me:$LINENO: error: linking to Fortran libraries from C fails -+See \`config.log' for more details." >&5 -+$as_echo "$as_me: error: linking to Fortran libraries from C fails -+See \`config.log' for more details." >&2;} -+ { (exit 1); exit 1; }; }; } -+fi -+ -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+{ $as_echo "$as_me:$LINENO: checking for Fortran 77 name-mangling scheme" >&5 -+$as_echo_n "checking for Fortran 77 name-mangling scheme... " >&6; } -+if test "${ac_cv_f77_mangling+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ cat >conftest.$ac_ext <<_ACEOF -+ subroutine foobar() -+ return -+ end -+ subroutine foo_bar() -+ return -+ end -+_ACEOF -+rm -f conftest.$ac_objext -+if { (ac_try="$ac_compile" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_compile") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest.$ac_objext; then -+ mv conftest.$ac_objext cfortran_test.$ac_objext -+ -+ ac_save_LIBS=$LIBS -+ LIBS="cfortran_test.$ac_objext $LIBS $FLIBS" -+ -+ ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ ac_success=no -+ for ac_foobar in foobar FOOBAR; do -+ for ac_underscore in "" "_"; do -+ ac_func="$ac_foobar$ac_underscore" -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+ -+/* Override any GCC internal prototype to avoid an error. -+ Use char because int might match the return type of a GCC -+ builtin and then its argument prototype would still apply. */ -+#ifdef __cplusplus -+extern "C" -+#endif -+char $ac_func (); -+#ifdef F77_DUMMY_MAIN -+ -+# ifdef __cplusplus -+ extern "C" -+# endif -+ int F77_DUMMY_MAIN() { return 1; } -+ -+#endif -+int -+main () -+{ -+return $ac_func (); -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_success=yes; break 2 -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext conftest.$ac_ext -+ done -+ done -+ ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ -+ if test "$ac_success" = "yes"; then -+ case $ac_foobar in -+ foobar) -+ ac_case=lower -+ ac_foo_bar=foo_bar -+ ;; -+ FOOBAR) -+ ac_case=upper -+ ac_foo_bar=FOO_BAR -+ ;; -+ esac -+ -+ ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ ac_success_extra=no -+ for ac_extra in "" "_"; do -+ ac_func="$ac_foo_bar$ac_underscore$ac_extra" -+ cat >conftest.$ac_ext <<_ACEOF -+/* confdefs.h. */ -+_ACEOF -+cat confdefs.h >>conftest.$ac_ext -+cat >>conftest.$ac_ext <<_ACEOF -+/* end confdefs.h. */ -+ -+/* Override any GCC internal prototype to avoid an error. -+ Use char because int might match the return type of a GCC -+ builtin and then its argument prototype would still apply. */ -+#ifdef __cplusplus -+extern "C" -+#endif -+char $ac_func (); -+#ifdef F77_DUMMY_MAIN -+ -+# ifdef __cplusplus -+ extern "C" -+# endif -+ int F77_DUMMY_MAIN() { return 1; } -+ -+#endif -+int -+main () -+{ -+return $ac_func (); -+ ; -+ return 0; -+} -+_ACEOF -+rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_c_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_success_extra=yes; break -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext conftest.$ac_ext -+ done -+ ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ -+ if test "$ac_success_extra" = "yes"; then -+ ac_cv_f77_mangling="$ac_case case" -+ if test -z "$ac_underscore"; then -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, no underscore" -+ else -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, underscore" -+ fi -+ if test -z "$ac_extra"; then -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, no extra underscore" -+ else -+ ac_cv_f77_mangling="$ac_cv_f77_mangling, extra underscore" -+ fi -+ else -+ ac_cv_f77_mangling="unknown" -+ fi -+ else -+ ac_cv_f77_mangling="unknown" -+ fi -+ -+ LIBS=$ac_save_LIBS -+ rm -rf conftest* -+ rm -f cfortran_test* -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ { { $as_echo "$as_me:$LINENO: error: in \`$ac_pwd':" >&5 -+$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} -+{ { $as_echo "$as_me:$LINENO: error: cannot compile a simple Fortran program -+See \`config.log' for more details." >&5 -+$as_echo "$as_me: error: cannot compile a simple Fortran program -+See \`config.log' for more details." >&2;} -+ { (exit 1); exit 1; }; }; } -+fi -+ -+rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext -+ -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_f77_mangling" >&5 -+$as_echo "$ac_cv_f77_mangling" >&6; } -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ -+ -+ # Check whether --enable-wrappers was given. -+if test "${enable_wrappers+set}" = set; then -+ enableval=$enable_wrappers; if test "$enableval" = "yes" ; then -+ check_wrappers=1 -+ else -+ check_wrappers=0 -+ fi -+else -+ check_wrappers=1 -+fi -+ -+ -+ # Find Fortran to C wrappers -+ if test "$check_wrappers" -ne 0; then -+ ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ -+ -+case $ac_cv_f77_mangling in -+ "lower case, no underscore, no extra underscore") -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC(name,NAME) name -+_ACEOF -+ -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC_(name,NAME) name -+_ACEOF -+ ;; -+ "lower case, no underscore, extra underscore") -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC(name,NAME) name -+_ACEOF -+ -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC_(name,NAME) name ## _ -+_ACEOF -+ ;; -+ "lower case, underscore, no extra underscore") -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC(name,NAME) name ## _ -+_ACEOF -+ -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC_(name,NAME) name ## _ -+_ACEOF -+ ;; -+ "lower case, underscore, extra underscore") -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC(name,NAME) name ## _ -+_ACEOF -+ -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC_(name,NAME) name ## __ -+_ACEOF -+ ;; -+ "upper case, no underscore, no extra underscore") -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC(name,NAME) NAME -+_ACEOF -+ -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC_(name,NAME) NAME -+_ACEOF -+ ;; -+ "upper case, no underscore, extra underscore") -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC(name,NAME) NAME -+_ACEOF -+ -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC_(name,NAME) NAME ## _ -+_ACEOF -+ ;; -+ "upper case, underscore, no extra underscore") -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC(name,NAME) NAME ## _ -+_ACEOF -+ -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC_(name,NAME) NAME ## _ -+_ACEOF -+ ;; -+ "upper case, underscore, extra underscore") -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC(name,NAME) NAME ## _ -+_ACEOF -+ -+ cat >>confdefs.h <<\_ACEOF -+#define F77_FUNC_(name,NAME) NAME ## __ -+_ACEOF -+ ;; -+ *) -+ { $as_echo "$as_me:$LINENO: WARNING: unknown Fortran name-mangling scheme" >&5 -+$as_echo "$as_me: WARNING: unknown Fortran name-mangling scheme" >&2;} -+ ;; -+esac -+ -+ac_ext=c -+ac_cpp='$CPP $CPPFLAGS' -+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' -+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_c_compiler_gnu -+ -+ fi -+ -+ -+ -+ -+ac_ext=f -+ac_compile='$F77 -c $FFLAGS conftest.$ac_ext >&5' -+ac_link='$F77 -o conftest$ac_exeext $FFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' -+ac_compiler_gnu=$ac_cv_f77_compiler_gnu -+ -+F77=$f90 # use Fortran 90 actually -+FFLAGS="$test_fflags" -+LDFLAGS="$test_ldflags" -+ -+# Checking BLAS... -+ -+ -+have_blas=0 -+ -+# Flags for machine-specific libraries -+have_acml=0 -+have_atlas=0 -+have_essl=0 -+have_mkl=0 -+ -+ -+# Check whether --with-internal-blas was given. -+if test "${with_internal_blas+set}" = set; then -+ withval=$with_internal_blas; if test "$withval" = "yes" ; then -+ use_internal_blas=1 -+ else -+ use_internal_blas=0 -+ fi -+else -+ use_internal_blas=0 -+fi -+ -+ -+# check for blas -+# supported vendor replacements: -+# mkl and acml on Intel/AMD architectures -+# essl on aix -+# SUNperf on sparc -+# atlas is used over blas if available -+# internal version is used if none is found -+ -+if test "$use_internal_blas" -eq 0 -+then -+ if test "$blas_libs" = "" -+ then -+ # check directories in LD_LIBRARY_PATH too -+ # (maybe they are already searched by default, but I'm not sure) -+ ld_library_path=`echo $LD_LIBRARY_PATH | sed 's/:/ /g'` -+ -+ case "$arch:$f90" in -+ -+ x86_64:path* | x86_64:openf95 | crayxt*:* ) -+ # check for acml - note that it contains lapack as well -+ try_libdirs="/opt/acml*/pathscale64/lib/" -+ try_libdirs="$ld_library_path $libdirs $try_libdirs" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ -+ if test "$use_openmp" -eq 0; then -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' acml; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ have_acml=1 blas_libs="$try_loption $LIBS" -+fi -+ -+ else -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' acml_mp; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ have_acml=1 blas_libs="$try_loption $LIBS" -+fi -+ -+ fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ x86_64:pgf* ) -+ try_libdirs="/opt/acml*/pathscale64/lib/" -+ try_libdirs="$ld_library_path $libdirs $try_libdirs" -+ -+ # Check first MKL... -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ -+ # Check first MKL... -+ FFLAGS="$test_fflags" -+ LDFLAGS="$MKL_FLAGS $test_ldflags $try_loption" -+ LIBS="$MKL_LIBS" -+ -+ if test "$use_openmp" -eq 0; then -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core -ldl $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core -ldl -lpthread -lm $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_core -lmkl_pgi_thread" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ -+ # ... then ACML -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ -+ if test "$use_openmp" -eq 0; then -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' acml; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ have_acml=1 blas_libs="$try_loption $LIBS" -+fi -+ -+ else -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' acml_mp; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ have_acml=1 blas_libs="$try_loption $LIBS" -+fi -+ -+ fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ ia64:* ) -+ # check for mkl (in several directories) -+ try_libdirs="/opt/intel/Compiler/*/*/mkl/lib/64 -+ /opt/intel/mkl/*/lib/64 -+ /opt/intel/mkl*/lib/64 -+ /opt/intel/mkl/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption=" " -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$MKL_FLAGS $test_ldflags $try_loption" -+ LIBS="$MKL_LIBS" -+ # -+ # should work for recent MKL versions only -+ # -+ if test "$use_openmp" -eq 0; then -+ if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf_ipf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_ipf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ else -+ if test "$f90" = "g95" -o"$f90" = "gfortran"; then -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf_ipf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_gnu_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_ipf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ fi -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ *:sunf95 ) -+ # check for acml - note that it contains lapack as well -+ if test "$arch" = "x86_64" -+ then -+ try_libdirs="/usr/local/sunstudio*/lib/amd64/" -+ else -+ try_libdirs="/usr/local/sunstudio*/lib/" -+ fi -+ try_libdirs="$libdirs $ld_library_path $try_libdirs" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' sunperf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ blas_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ x86_64:* ) -+ try_libdirs="/opt/intel/composer*/mkl/lib/intel64 -+ /opt/intel/Compiler/*/*/mkl/lib/em64t -+ /opt/intel/mkl/*/lib/em64t -+ /opt/intel/mkl*/lib/em64t -+ /opt/intel/mkl/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption=" " -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$MKL_FLAGS $test_ldflags $try_loption" -+ LIBS="$MKL_LIBS" -+ # -+ # should work for recent MKL versions only -+ # -+ if test "$use_openmp" -eq 0; then -+ if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ else -+ if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_gnu_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel_lp64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ fi -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ ia32:* ) -+ # check for mkl (in several directories) -+ try_libdirs="/opt/intel/composer*/mkl/lib/ia32 -+ /opt/intel/Compiler/*/*/mkl/lib/32 -+ /opt/intel/mkl/*/lib/32 -+ /opt/intel/mkl*/lib/32 -+ /opt/intel/mkl/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption="-L " -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$MKL_FLAGS $test_ldflags $try_loption" -+ LIBS="$MKL_LIBS" -+ # -+ # should work for recent MKL versions only -+ # -+ if test "$use_openmp" -eq 0; then -+ if test "$f90" = "g95" -o "$f90" = "gfortran"; then -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ else -+ if test "$f90" = "g95" -o "$f90" = "gfortran" ; then -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_gf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_gnu_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ fi -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ -+ done -+ ;; -+ -+ aix:* ) -+ # check for essl -+ unset ac_cv_search_dgemm # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 -+ blas_libs="$LIBS" -+fi -+ -+ # notice that some IBM machines may not need -lessl -+ # to load blas so the above test may fail -+ if test "`echo $blas_libs | grep essl`" != "" -+ then -+ have_essl=1 -+ try_dflags="$try_dflags -D__ESSL" -+ fi -+ # we need esslsmp for hybrid (MPI+OpenMP) build -+ if test "$have_essl"="1"; then -+ if test "$use_openmp" -ne 0 ; then -+ blas_libs="-lesslsmp" -+ fi -+ fi -+ ;; -+ -+ sparc:* | solaris:* ) -+ # check for SUNperf library -+ unset ac_cv_search_dgemm # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' sunperf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_lapack=1 -+ blas_libs="-xlic_lib=sunperf $LIBS" -+fi -+ -+ ;; -+ necsx:* ) -+ #sx5-nec or sx6-nec or sx8-nec: check in (/SX)/usr/lib -+ #sx8-nec-idris: check in /SX/opt/mathkeisan/inst/lib0 -+ try_libdirs="/SX/usr/lib /SX/opt/mathkeisan/inst/lib0" -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' blas; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 -+ blas_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ ppc64:* ) -+ # check for essl -+ unset ac_cv_search_dgemm # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 -+ blas_libs="$LIBS" -+fi -+ -+ # notice that some IBM machines may not need -lessl -+ # to load blas so the above test may fail -+ if test "`echo $blas_libs | grep essl`" != "" -+ then -+ have_essl=1 -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+ fi -+ # OBM:Yet another work-around if the above search -+ # returns "none required" -+ if test "$ac_cv_search_dgemm" = "none required" -+ then -+ echo "There is no need for -lessl in this machine" -+ have_essl=1 -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+ fi -+ # we need esslsmp for hybrid (MPI+OpenMP) build -+ if test "$have_essl"="1"; then -+ if test "$use_openmp" -ne 0 ; then -+ blas_libs="-lesslsmp" -+ fi -+ fi -+ ;; -+ -+ ppc64-*:* ) -+ # assume essl -+ unset ac_cv_search_dgemm # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ have_blas=1 -+ have_essl=1 -+ # BlueGene: for some obscure reason there is no need to -+ # specify a library path to have essl linked, while -+ # in reality it is needed to specify where essl are -+ if test "$arch"="ppc64-bg"; then -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+ if test "$blas_libs"=""; then -+ if test "$use_openmp" -eq 0 ; then -+ blas_libs="-L/opt/ibmmath/essl/4.4/lib/ -lesslbg" -+ else -+ blas_libs="-L/opt/ibmmath/essl/4.4/lib/ -lesslsmpbg" -+ fi -+ fi -+ else -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+ fi -+ ;; -+ mac686:ifort* ) -+ #This solution is tested with MacOs 10.6 and Intel 11.1 -+ #..and now MacOs 10.8.3 and Intel 13 -+ try_libdirs="/Developer/opt/intel/Compiler/*/*/Frameworks/mkl/lib/universal -+ /opt/intel/Compiler/*/*/Frameworks/mkl/lib/universal -+ /opt/intel/mkl*/lib/em64t -+ /opt/intel/mkl/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption="" -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$MKL_FLAGS $test_ldflags $try_loption" -+ LIBS="$MKL_LIBS" -+ # First, a by-the-apple-book search of MKL... >10.2 requires multiple libraries -+ # 64 bit is buggy as of 11.1.088 -+ if test "$use_openmp" -eq 0; then -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_sequential -lmkl_core -lpthread $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_sequential -lmkl_core -lpthread" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ else -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' mkl_intel; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmkl_intel_thread -lmkl_core -openmp -lpthread $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_mkl=1 -+ blas_libs="$try_loption $LIBS -lmkl_intel_thread -lmkl_core -openmp -lpthread" -+ ldflags="$MKL_FLAGS $ldflags" -+else -+ echo "MKL not found" -+fi -+ -+ fi -+ # 32 bit -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ ;; -+ -+ -+ esac -+ # blas not (yet) found: look for more possibilities -+ if test "$have_blas" -eq 0 -+ then -+ case "$f90" in -+ pgf* ) -+ # check for PGI blas -+ unset ac_cv_search_dgemm # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' blas; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 blas_libs="$LIBS" -+fi -+ -+ ;; -+ esac -+ fi -+ -+ if test "$have_blas" -eq 0 -+ then -+ # check for atlas (in several directories) -+ try_libdirs="/usr/local/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="-latlas" -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' f77blas; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lg2c $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 have_atlas=1 -+ blas_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ fi -+ -+ # blas still not found -+ -+ if test "$have_blas" -eq 0 -+ then -+ # check for blas (in several directories) -+ try_libdirs="/usr/local/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dgemm # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing dgemm" >&5 -+$as_echo_n "checking for library containing dgemm... " >&6; } -+if test "${ac_cv_search_dgemm+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dgemm -+ end -+_ACEOF -+for ac_lib in '' blas-3 openblas blas; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dgemm=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dgemm+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dgemm+set}" = set; then -+ : -+else -+ ac_cv_search_dgemm=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dgemm" >&5 -+$as_echo "$ac_cv_search_dgemm" >&6; } -+ac_res=$ac_cv_search_dgemm -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_blas=1 -+ blas_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dgemm" != "no" -+ then break ; fi -+ done -+ fi -+ else -+ # blas provided in BLAS_LIBS - not checked! -+ have_blas=1 -+ fi -+fi -+ -+# no blas library found, or internal blas required: use the built-in blas -+# (blas_libs is used in the above lapack tests: do not move the following -+# settings above lapack tests, which would seem a more logical place) -+ -+if test "$have_blas" -eq 0 -o "$use_internal_blas" -eq 1 ; then -+ blas_libs="$topdir/BLAS/blas.a" -+ blas_libs_switch="internal" -+else -+ blas_libs_switch="external" -+fi -+ -+# Internal BLAS/LAPACK sometimes have to be handled differently... -+if test "$extlib_flags" = "" ; then -+ case "$arch:$f90_version" in -+ x86_64:nagfor* ) -+ extlib_flags="-O2 -kind=byte -dcfuns -mismatch" -+ ;; -+ ppc64:* ) -+ extlib_flags="-q64 -qthreaded" -+ ;; -+ * ) -+ extlib_flags="-O2" -+ ;; -+ esac -+fi -+ -+blas_line="BLAS_LIBS=$blas_libs" -+echo setting BLAS_LIBS... $blas_libs -+ -+ -+ -+ -+ -+ac_config_files="$ac_config_files install/make_blas.inc" -+ -+ -+ -+ -+ -+# Checking LAPACK... -+ -+ -+have_lapack=0 -+ -+ -+# Check whether --with-internal-lapack was given. -+if test "${with_internal_lapack+set}" = set; then -+ withval=$with_internal_lapack; if test "$withval" = "yes" ; then -+ use_internal_lapack=1 -+ else -+ use_internal_lapack=0 -+ fi -+else -+ use_internal_lapack=0 -+fi -+ -+ -+# check for lapack -+# -+# same supported vendor replacements as for blas -+# internal version is used if none is found -+if test "$use_internal_lapack" -eq 0 -+ then -+ if test "$lapack_libs" = "" -+ then -+ # check directories in LD_LIBRARY_PATH too -+ # (maybe they are already searched by default, but I'm not sure) -+ ld_library_path=`echo $LD_LIBRARY_PATH | sed 's/:/ /g'` -+ -+ case "$arch:$f90" in -+ -+ ia32:* | ia64:*| x86_64:* ) -+ # check for mkl_lapack (if mkl found and acml not found) -+ # OBSOLESCENT - recent versions of mkl contain lapack -+ if test "$have_mkl" -ne 0 && test "$have_acml" -eq 0 -+ then -+ unset ac_cv_search_dspev ac_lib # clear cached value -+ FFLAGS="$test_fflags" -+ LIBS=" $blas_libs" -+ LDFLAGS="$MKL_FLAGS $test_ldflags" -+ { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if test "${ac_cv_search_dspev+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' mkl_lapack; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dspev=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dspev+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dspev+set}" = set; then -+ : -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+fi -+ -+ if test "$ac_lib" != "" ; then lapack_libs="-l$ac_lib"; fi -+ fi -+ ;; -+ -+ sparc:* ) -+ # check for SUNperf library -+ unset ac_cv_search_dspev # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$blas_libs" -+ { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if test "${ac_cv_search_dspev+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' sunperf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dspev=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dspev+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dspev+set}" = set; then -+ : -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+ lapack_libs="-xlic_lib=sunperf $LIBS" -+fi -+ -+ ;; -+ aix:* ) -+ # check for essl -+ unset ac_cv_search_dspev # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$blas_libs" -+ { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if test "${ac_cv_search_dspev+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dspev=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dspev+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dspev+set}" = set; then -+ : -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+ lapack_libs="$try_loption $LIBS" -+ try_dflags="$try_dflags -D__ESSL" -+fi -+ -+ # essl may not have been found in previous test on blas -+ if test "$have_lapack" -eq 1; then have_essl=1; fi -+ ;; -+ ppc64:* ) -+ # check for essl -+ unset ac_cv_search_dspev # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$blas_libs" -+ { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if test "${ac_cv_search_dspev+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dspev=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dspev+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dspev+set}" = set; then -+ : -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+ lapack_libs="$try_loption $LIBS" -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+fi -+ -+ # essl may not have been found in previous test on blas -+ if test "$have_lapack" -eq 1; then have_essl=1; fi -+ ;; -+ -+ necsx:* ) -+ #sx5-nec or sx6-nec or sx8-nec: check in (/SX)/usr/lib -+ #sx8-nec-idris: check in /SX/opt/mathkeisan/inst/lib0 -+ try_libdirs="/SX/usr/lib /SX/opt/mathkeisan/inst/lib0" -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dspev # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption $blas_libs" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if test "${ac_cv_search_dspev+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' lapack; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dspev=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dspev+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dspev+set}" = set; then -+ : -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+ lapack_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dspev" != "no" -+ then break ; fi -+ done -+ ;; -+ esac -+ -+ if test "$have_lapack" -eq 0 -+ then -+ # check for lapack (in several directories) -+ try_libdirs="/usr/local/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dspev # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="$blas_libs" -+ { $as_echo "$as_me:$LINENO: checking for library containing dspev" >&5 -+$as_echo_n "checking for library containing dspev... " >&6; } -+if test "${ac_cv_search_dspev+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dspev -+ end -+_ACEOF -+for ac_lib in '' lapack-3 lapack; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dspev=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dspev+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dspev+set}" = set; then -+ : -+else -+ ac_cv_search_dspev=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dspev" >&5 -+$as_echo "$ac_cv_search_dspev" >&6; } -+ac_res=$ac_cv_search_dspev -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_lapack=1 -+ lapack_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dspev" != "no"; then -+ # essl must precede lapack (if present) -+ if test "$have_essl" -ne 0 ; then -+ lapack_libs="$blas_libs $lapack_libs" -+ fi -+ break -+ fi -+ done -+ fi -+ -+ else -+ # lapack provided in LAPACK_LIBS - not checked! -+ have_lapack=1 -+ fi -+fi -+ -+# no lapack library found, or incomplete lapack found (atlas, essl), -+# or internal lapack esplicitly required -+ -+if test "$have_lapack" -eq 0 -o "$use_internal_lapack" -eq 1 ; then -+ lapack_libs="$topdir/lapack-3.2/lapack.a" -+ lapack_libs_switch="internal" -+else -+ if test "$have_essl" -eq 1 -o "$have_atlas" -eq 1 ; then -+ # IBM essl or atlas: add missing lapack routines - must be loaded after lib -+ # atlas: add missing lapack routines so as to complete atlas -+ # note that some compilers do not like to have multiple symbols -+ lapack_libs="$lapack_libs $topdir/lapack-3.2/lapack.a" -+ lapack_libs_switch="internal" -+ else -+ lapack_libs_switch="external" -+ fi -+fi -+ -+ lapack_line="LAPACK_LIBS=$lapack_libs" -+ -+ -+ -+ -+ -+ ac_config_files="$ac_config_files install/make_lapack.inc" -+ -+ -+ -+ -+ -+# Checking for FFT... -+ -+ -+have_fft=0 -+ -+ { $as_echo "$as_me:$LINENO: checking FFT" >&5 -+$as_echo_n "checking FFT... " >&6; } -+ -+# check for FFT libraries (no check for explicit openmp) -+# supported vendor replacements: -+# essl on aix and some IBM linux machines -+# SUNperf on sparc -+# ASL/Mathkeisan on Nec -+# acml on amd -+if test "$fft_libs" = "" && test "$use_openmp" -eq 0 -+then -+ # check directories in LD_LIBRARY_PATH too -+ # (maybe they are already searched by default, but I'm not sure) -+ ld_library_path=`echo $LD_LIBRARY_PATH | sed 's/:/ /g'` -+ -+ case "$arch" in -+ aix ) -+ # check for essl -+ unset ac_cv_search_dcft # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$fft_libs" -+ { $as_echo "$as_me:$LINENO: checking for library containing dcft" >&5 -+$as_echo_n "checking for library containing dcft... " >&6; } -+if test "${ac_cv_search_dcft+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dcft -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dcft=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dcft+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dcft+set}" = set; then -+ : -+else -+ ac_cv_search_dcft=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dcft" >&5 -+$as_echo "$ac_cv_search_dcft" >&6; } -+ac_res=$ac_cv_search_dcft -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 fft_libs="$LIBS" -+fi -+ -+ ;; -+ ppc64 | ppc64-mn ) -+ # check for essl -+ unset ac_cv_search_dcft # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$fft_libs" -+ { $as_echo "$as_me:$LINENO: checking for library containing dcft" >&5 -+$as_echo_n "checking for library containing dcft... " >&6; } -+if test "${ac_cv_search_dcft+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dcft -+ end -+_ACEOF -+for ac_lib in '' essl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dcft=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dcft+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dcft+set}" = set; then -+ : -+else -+ ac_cv_search_dcft=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dcft" >&5 -+$as_echo "$ac_cv_search_dcft" >&6; } -+ac_res=$ac_cv_search_dcft -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 fft_libs="$LIBS" -+fi -+ -+ ;; -+ ppc64-bg | ppc64-bgq ) -+ # check for esslbg -+ unset ac_cv_search_dcft # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$fft_libs $blas_libs" -+ { $as_echo "$as_me:$LINENO: checking for library containing dcft" >&5 -+$as_echo_n "checking for library containing dcft... " >&6; } -+if test "${ac_cv_search_dcft+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dcft -+ end -+_ACEOF -+for ac_lib in '' esslbg; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dcft=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dcft+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dcft+set}" = set; then -+ : -+else -+ ac_cv_search_dcft=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dcft" >&5 -+$as_echo "$ac_cv_search_dcft" >&6; } -+ac_res=$ac_cv_search_dcft -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 fft_libs="$LIBS" -+fi -+ -+ ;; -+ sparc ) -+ # check for SUNperf FFT library on Sun Sparcs -+ # but not on solaris PC! it is slower than FFTW -+ unset ac_cv_search_zfft3i # clear cached value -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags" -+ LIBS="$libs" -+ { $as_echo "$as_me:$LINENO: checking for library containing zfft3i" >&5 -+$as_echo_n "checking for library containing zfft3i... " >&6; } -+if test "${ac_cv_search_zfft3i+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call zfft3i -+ end -+_ACEOF -+for ac_lib in '' sunperf; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_zfft3i=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_zfft3i+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_zfft3i+set}" = set; then -+ : -+else -+ ac_cv_search_zfft3i=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_zfft3i" >&5 -+$as_echo "$ac_cv_search_zfft3i" >&6; } -+ac_res=$ac_cv_search_zfft3i -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 -+ try_dflags="$try_dflags -D__SUNPERF" -+ fft_libs="-xlic_lib=sunperf $LIBS" -+fi -+ -+ ;; -+ necsx ) -+ if test "$use_fft_mathkeisan" -ne 0 -+ then -+ #sx5-nec or sx6-nec or sx8-nec: check in (/SX)/usr/lib -+ #sx8-nec-idris: check in /SX/opt/mathkeisan/inst/lib0 -+ try_libdirs="/SX/usr/lib /SX/opt/mathkeisan/inst/lib0" -+ #check for Mathkeisan (Cray simple precision ) -+ #search for initialization subroutine -+ echo $ECHO_N "Searching in Mathkeisan" $ECHO_C -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_zftfax # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing zftfax" >&5 -+$as_echo_n "checking for library containing zftfax... " >&6; } -+if test "${ac_cv_search_zftfax+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call zftfax -+ end -+_ACEOF -+for ac_lib in '' fft; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_zftfax=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_zftfax+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_zftfax+set}" = set; then -+ : -+else -+ ac_cv_search_zftfax=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_zftfax" >&5 -+$as_echo "$ac_cv_search_zftfax" >&6; } -+ac_res=$ac_cv_search_zftfax -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 -+ try_dflags="$try_dflags try_dflags_fft_mathkeisan" -+ fft_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_zftfax" != "no" -+ then break ; fi -+ done -+ fi -+ if test "$use_fft_asl" -ne 0 -+ then -+ #check for asl in (/SX)/usr/lib -+ try_libdirs="/SX/usr/lib" -+ #search for initialization subroutine -+ echo $ECHO_N "Searching in Asl" $ECHO_C -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_zfc3cl # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing zfc3cl" >&5 -+$as_echo_n "checking for library containing zfc3cl... " >&6; } -+if test "${ac_cv_search_zfc3cl+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call zfc3cl -+ end -+_ACEOF -+for ac_lib in '' asl; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_zfc3cl=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_zfc3cl+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_zfc3cl+set}" = set; then -+ : -+else -+ ac_cv_search_zfc3cl=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_zfc3cl" >&5 -+$as_echo "$ac_cv_search_zfc3cl" >&6; } -+ac_res=$ac_cv_search_zfc3cl -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 -+ asl_libs="$try_loption $LIBS" -+ try_dflags="$try_dflags $try_dflags_fft_asl" -+ fft_libs="$fft_libs $asl_libs" -+fi -+ -+ if test "$ac_cv_search_zfc3cl" != "no" -+ then break ; fi -+ done -+ fi -+ if test "$use_fft_para" -ne 0 -+ then -+ try_dflags="$try_dflags $try_dflags_fft_para" -+ fi -+ ;; -+ esac -+ -+fi -+ -+if test "$have_fft" -eq 0 && test "$use_openmp" -eq 0 -+then -+ -+ # check for fftw v.3 (in several directories) -+ try_libdirs="/usr/local/lib" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_dfftw_execute_dft # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ CFLAGS="$test_cflags" -+ CPPFLAGS="$test_cppflags" -+ LDFLAGS="$c_ldflags $try_loption" -+ LIBS="$fft_libs" -+ { $as_echo "$as_me:$LINENO: checking for library containing dfftw_execute_dft" >&5 -+$as_echo_n "checking for library containing dfftw_execute_dft... " >&6; } -+if test "${ac_cv_search_dfftw_execute_dft+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call dfftw_execute_dft -+ end -+_ACEOF -+for ac_lib in '' fftw3; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lm $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_dfftw_execute_dft=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_dfftw_execute_dft+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_dfftw_execute_dft+set}" = set; then -+ : -+else -+ ac_cv_search_dfftw_execute_dft=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_dfftw_execute_dft" >&5 -+$as_echo "$ac_cv_search_dfftw_execute_dft" >&6; } -+ac_res=$ac_cv_search_dfftw_execute_dft -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_fft=1 -+ fft_libs="$try_loption $LIBS" -+fi -+ -+ if test "$ac_cv_search_dfftw_execute_dft" != "no" -+ then -+ try_dflags="$try_dflags -D__FFTW3" -+ break -+ fi -+ done -+ -+fi -+ -+ { $as_echo "$as_me:$LINENO: result: ${fft_libs}" >&5 -+$as_echo "${fft_libs}" >&6; } -+ -+fft_line="FFT_LIBS=$fft_libs" -+ -+# if no valid FFT library was found, use the local copy -+# (This happens also if OpenMP is enabled...) -+if test "$have_fft" -eq 0 -+then -+ case "$arch" in -+ ppc64-bg | ppc64-bgq ) -+ try_dflags="$try_dflags -D__LINUX_ESSL" -+ ;; -+ * ) -+ try_dflags="$try_dflags -D__FFTW" -+ ;; -+ esac -+fi -+ -+ -+ -+ -+ -+ -+ -+# Checking for IBM MASS library... -+ -+ -+ { $as_echo "$as_me:$LINENO: checking MASS" >&5 -+$as_echo_n "checking MASS... " >&6; } -+ -+ # check for mass on aix -+if test "$mass_libs" = "" -+then -+ # check directories in LD_LIBRARY_PATH too -+ # (maybe they are already searched by default, but I'm not sure) -+ ld_library_path=`echo $LD_LIBRARY_PATH | sed 's/:/ /g'` -+ -+ case "$arch" in -+ aix | ppc64-bg ) -+ # check for mass (in several directories) -+ try_libdirs="/opt/ibmcmp/xlmass/bg/7.3/bglib64 /opt/ibmcmp/xlmass/bg/4.4/bglib /cineca/lib /cineca/lib/mass" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_vexp # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing vexp" >&5 -+$as_echo_n "checking for library containing vexp... " >&6; } -+if test "${ac_cv_search_vexp+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call vexp -+ end -+_ACEOF -+for ac_lib in '' massvp4 massv; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmass $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_vexp=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_vexp+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_vexp+set}" = set; then -+ : -+else -+ ac_cv_search_vexp=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_vexp" >&5 -+$as_echo "$ac_cv_search_vexp" >&6; } -+ac_res=$ac_cv_search_vexp -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ -+fi -+ -+ if test "$ac_cv_search_vexp" = "-lmassvp4" \ -+ -o "$ac_cv_search_vexp" = "-lmassv" -+ then mass_libs="$try_loption $ac_cv_search_vexp -lmass" -+ fi -+ if test "$ac_cv_search_vexp" != "no" ; then break ; fi -+ done -+ ;; -+ ppc64-bgq ) -+ # check for mass (in several directories) -+ try_libdirs="/opt/ibmcmp/xlmass/bg/7.3/bglib64" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_vexp # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing vexp" >&5 -+$as_echo_n "checking for library containing vexp... " >&6; } -+if test "${ac_cv_search_vexp+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call vexp -+ end -+_ACEOF -+for ac_lib in '' massv; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmass_simd $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_vexp=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_vexp+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_vexp+set}" = set; then -+ : -+else -+ ac_cv_search_vexp=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_vexp" >&5 -+$as_echo "$ac_cv_search_vexp" >&6; } -+ac_res=$ac_cv_search_vexp -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ -+fi -+ -+ if test "$ac_cv_search_vexp" = "-lmassv" -+ then mass_libs="$try_loption $ac_cv_search_vexp -lmass_simd" -+ fi -+ if test "$ac_cv_search_vexp" != "no" ; then break ; fi -+ done -+ ;; -+ -+ ppc64* ) -+ # check for mass (in several directories) -+ try_libdirs="/usr/local/lib /opt/ibmcmp/xlmass/*/lib64" -+ try_libdirs="$libdirs $try_libdirs $ld_library_path" -+ -+ for dir in none $try_libdirs -+ do -+ unset ac_cv_search_vexp # clear cached value -+ if test "$dir" = "none" -+ then -+ try_loption= -+ else -+ echo $ECHO_N "in $dir: " $ECHO_C -+ try_loption="-L$dir" -+ fi -+ FFLAGS="$test_fflags" -+ LDFLAGS="$test_ldflags $try_loption" -+ LIBS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing vexp" >&5 -+$as_echo_n "checking for library containing vexp... " >&6; } -+if test "${ac_cv_search_vexp+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call vexp -+ end -+_ACEOF -+for ac_lib in '' massvp4_64; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib -lmass_64 $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_vexp=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_vexp+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_vexp+set}" = set; then -+ : -+else -+ ac_cv_search_vexp=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_vexp" >&5 -+$as_echo "$ac_cv_search_vexp" >&6; } -+ac_res=$ac_cv_search_vexp -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ -+fi -+ -+ if test "$ac_cv_search_vexp" = "-lmassvp4_64" -+ then mass_libs="$try_loption $ac_cv_search_vexp -lmass_64" -+ fi -+ if test "$ac_cv_search_vexp" != "no" ; then break ; fi -+ done -+ ;; -+ -+ esac -+fi -+ -+if test "$mass_libs" != ""; then -+ try_dflags="$try_dflags -D__MASS" -+ if test "$arch" = "ppc64-bg"; then -+ # BlueGene wants this when mass libs are loaded, SP6 doesn't want this! -+ ldflags="$ldflags -Wl,--allow-multiple-definition" -+ fi -+ if test "$arch" = "ppc64-bgq"; then -+ # BlueGene wants this when mass libs are loaded, SP6 doesn't want this! -+ ldflags="$ldflags -Wl,--allow-multiple-definition" -+ fi -+fi -+ -+# Configuring output message -+if test "$mass_libs" != "" ; then -+ mass_line="MASS_LIBS=$mass_libs" -+else -+ mass_line="@delete@" -+fi -+ -+ { $as_echo "$as_me:$LINENO: result: ${mass_libs}" >&5 -+$as_echo "${mass_libs}" >&6; } -+ -+ -+ -+ -+ -+ -+ -+# check for MPI library... -+ -+ -+have_mpi=0 -+ -+# some architectures require to link mpi libraries explicitly -+F77=$mpif90 # use parallel compiler -+if test "$mpi_libs" = "" -+then -+ # check directories in LD_LIBRARY_PATH too -+ # (maybe they are already searched by default, but I'm not sure) -+ ld_library_path=`echo $LD_LIBRARY_PATH | sed 's/:/ /g'` -+ -+ if test "$use_parallel" -ne 0 -+ then -+ if test "$have_mpi" -eq 0 -+ # check for mpi -+ then -+ unset ac_cv_search_mpi_init # clear cached value -+ LDFLAGS="$test_ldflags" -+ LIBS="$mpi_libs" -+ { $as_echo "$as_me:$LINENO: checking for library containing mpi_init" >&5 -+$as_echo_n "checking for library containing mpi_init... " >&6; } -+if test "${ac_cv_search_mpi_init+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call mpi_init -+ end -+_ACEOF -+for ac_lib in '' mpi; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_mpi_init=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_mpi_init+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_mpi_init+set}" = set; then -+ : -+else -+ ac_cv_search_mpi_init=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_mpi_init" >&5 -+$as_echo "$ac_cv_search_mpi_init" >&6; } -+ac_res=$ac_cv_search_mpi_init -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_mpi=1 parallel=1 mpi_libs="$LIBS" try_dflags="$try_dflags -D__MPI -D__PARA" -+fi -+ -+ fi -+ fi -+fi -+ -+# Configuring output message -+if test "$mpi_libs" != "" ; then -+ mpi_line="MPI_LIBS=$mpi_libs" -+else -+ mpi_line="@delete@" -+fi -+ -+# Parallel report -+if test "$use_parallel" -ne 0 -+then -+ if test "$parallel" -ne 0 -+ then -+ parallel_report="Parallel environment detected successfully.\\ -+Configured for compilation of parallel executables." -+ else -+ parallel_report="Parallel environment not detected \ -+\(is this a parallel machine?\).\\ -+Configured for compilation of serial executables." -+ fi -+else -+ parallel_report="Configured for compilation of serial executables." -+fi -+ -+ -+ -+ -+ -+ -+ -+ -+# Setting ScaLAPACK... -+ -+ -+have_scalapack=0 -+ -+ -+# Check whether --with-scalapack was given. -+if test "${with_scalapack+set}" = set; then -+ withval=$with_scalapack; if test "$withval" = "yes" ; then -+ with_scalapack=1 -+ elif test "$withval" = "intel" ; then -+ with_scalapack=2 -+ elif test "$withval" = "no" ; then -+ with_scalapack=0 -+ fi -+else -+ with_scalapack=1 -+fi -+ -+ -+# final check on availability of parallel environment -+for dummy in x # to allow simple 'break' -+do -+ test "$have_mpi" -eq 0 && break -+ -+ F77=$mpif90 -+ LIBS="$mpi_libs" -+ -+# look for scalapack if required -+ test "$with_scalapack" -eq 0 && break -+ if test "$scalapack_libs" = "" ; then -+# no additional libraries needed -+ { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_pdgemr2d=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ : -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+fi -+ -+ test "$have_scalapack" -eq 1 && break -+ -+if test "$have_mkl" -eq 1 -+ then -+ unset ac_cv_search_pdgemr2d # clear cached value -+ LIBS="-lmkl_blacs_lp64 $mpi_libs $blas_libs" -+ if test $with_scalapack -eq 1; then -+ scalapack_libs=-lmkl_blacs_openmpi_lp64 -+ else -+ scalapack_libs=-lmkl_blacs_intelmpi_lp64 -+ fi -+ { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "mkl_scalapack_lp64" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_pdgemr2d=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ : -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+ scalapack_libs="-lmkl_scalapack_lp64 $scalapack_libs" -+fi -+ -+ test "$have_scalapack" -eq 1 && break -+fi -+# -+# sci libraries (e.g. cray xt) -+ unset ac_cv_search_pdgemr2d # clear cached value -+ scalapack_libs="-lsci" -+ LIBS="$mpi_libs $scalapack_libs" -+ { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_pdgemr2d=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ : -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+fi -+ -+ test "$have_scalapack" -eq 1 && break -+# scalapack (including blacs), no -L options -+ unset ac_cv_search_pdgemr2d # clear cached value -+ scalapack_libs="-lscalapack" -+ LIBS="$mpi_libs $scalapack_libs" -+ LDFLAGS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_pdgemr2d=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ : -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+fi -+ -+ test "$have_scalapack" -eq 1 && break -+# scalapack + blacs, no -L options -+ unset ac_cv_search_pdgemr2d # clear cached value -+ blacs_libs="-lblacs -lblacsF77init -lblacs" -+ scalapack_libs="-lscalapack $blacs_libs" -+ LIBS="$mpi_libs $scalapack_libs" -+ LDFLAGS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_pdgemr2d=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ : -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+fi -+ -+ test "$have_scalapack" -eq 1 && break -+# scalapack + blacs with -L options -+ unset ac_cv_search_pdgemr2d # clear cached value -+ if test "$scalapack_dir" = ""; then scalapack_dir="/bgsys/local/scalapack/lib"; fi -+ if test "$blacs_dir" = ""; then blacs_dir="/bgsys/local/blacs/lib"; fi -+ blacs_libs="-L$blacs_dir -lblacs -lblacsF77init -lblacs" -+ scalapack_libs="-L$scalapack_dir -lscalapack $blacs_libs" -+ LIBS="$mpi_libs $scalapack_libs" -+ LDFLAGS="" -+ { $as_echo "$as_me:$LINENO: checking for library containing pdgemr2d" >&5 -+$as_echo_n "checking for library containing pdgemr2d... " >&6; } -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ ac_func_search_save_LIBS=$LIBS -+cat >conftest.$ac_ext <<_ACEOF -+ program main -+ call pdgemr2d -+ end -+_ACEOF -+for ac_lib in '' "" ; do -+ if test -z "$ac_lib"; then -+ ac_res="none required" -+ else -+ ac_res=-l$ac_lib -+ LIBS="-l$ac_lib $ac_func_search_save_LIBS" -+ fi -+ rm -f conftest.$ac_objext conftest$ac_exeext -+if { (ac_try="$ac_link" -+case "(($ac_try" in -+ *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; -+ *) ac_try_echo=$ac_try;; -+esac -+eval ac_try_echo="\"\$as_me:$LINENO: $ac_try_echo\"" -+$as_echo "$ac_try_echo") >&5 -+ (eval "$ac_link") 2>conftest.er1 -+ ac_status=$? -+ grep -v '^ *+' conftest.er1 >conftest.err -+ rm -f conftest.er1 -+ cat conftest.err >&5 -+ $as_echo "$as_me:$LINENO: \$? = $ac_status" >&5 -+ (exit $ac_status); } && { -+ test -z "$ac_f77_werror_flag" || -+ test ! -s conftest.err -+ } && test -s conftest$ac_exeext && { -+ test "$cross_compiling" = yes || -+ $as_test_x conftest$ac_exeext -+ }; then -+ ac_cv_search_pdgemr2d=$ac_res -+else -+ $as_echo "$as_me: failed program was:" >&5 -+sed 's/^/| /' conftest.$ac_ext >&5 -+ -+ -+fi -+ -+rm -rf conftest.dSYM -+rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \ -+ conftest$ac_exeext -+ if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ break -+fi -+done -+if test "${ac_cv_search_pdgemr2d+set}" = set; then -+ : -+else -+ ac_cv_search_pdgemr2d=no -+fi -+rm conftest.$ac_ext -+LIBS=$ac_func_search_save_LIBS -+fi -+{ $as_echo "$as_me:$LINENO: result: $ac_cv_search_pdgemr2d" >&5 -+$as_echo "$ac_cv_search_pdgemr2d" >&6; } -+ac_res=$ac_cv_search_pdgemr2d -+if test "$ac_res" != no; then -+ test "$ac_res" = "none required" || LIBS="$ac_res $LIBS" -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+fi -+ -+ else -+ # scalapack provided in SCALAPACK_LIBS - not checked! -+ have_scalapack=1 -+ try_dflags="$try_dflags -D__SCALAPACK" -+ fi -+done -+ -+# Configuring output message -+if test "$have_scalapack" -eq 1; then -+ scalapack_line="SCALAPACK_LIBS=$scalapack_libs" -+else -+ scalapack_libs="" -+ scalapack_line="@delete@" -+fi -+ -+ -+ -+ -+ -+ -+ -+# Setting ELPA... -+ -+ -+ { $as_echo "$as_me:$LINENO: checking ELPA" >&5 -+$as_echo_n "checking ELPA... " >&6; } -+ -+ -+# Check whether --with-elpa was given. -+if test "${with_elpa+set}" = set; then -+ withval=$with_elpa; if test "$withval" = "yes" ; then -+ with_elpa=1 -+ elif test "$withval" = "no" ; then -+ with_elpa=0 -+ else -+ with_elpa=2 -+ with_elpa_path="$withval" -+ fi -+else -+ with_elpa=0 -+fi -+ -+ -+elpa_libs="" -+ -+# ELPA iff SCALAPACK (statically linked) -+elpa_libs_switch="disabled" -+if test "$with_elpa" -eq 2 && test "$have_scalapack" -eq 1; then -+ if test "$use_openmp" -eq 1 ; then -+ elpa_libs="$with_elpa_path/lib/libelpa_mt.a" -+ try_iflags="$try_iflags -I$with_elpa_path/include/elpa/modules " -+ try_dflags="$try_dflags -D__ELPA" -+ else -+ elpa_libs="$with_elpa_path/lib/libelpa.a" -+ try_iflags="$try_iflags -I$with_elpa_path/include/elpa/modules " -+ try_dflags="$try_dflags -D__ELPA" -+ fi -+ scalapack_libs="$elpa_libs $scalapack_libs" -+fi -+ -+if test "$with_elpa" -eq 1 && test "$have_scalapack" -eq 1; then -+ elpa_libs="\$(TOPDIR)/ELPA/libelpa.a" -+ scalapack_libs="$elpa_libs $scalapack_libs" -+ try_dflags="$try_dflags -D__ELPA" -+ elpa_libs_switch="enabled" -+fi -+ -+ { $as_echo "$as_me:$LINENO: result: ${elpa_libs}" >&5 -+$as_echo "${elpa_libs}" >&6; } -+ -+ -+ -+ -+ -+# Checking SIGNAL... -+ -+ -+ # Check whether --enable-signals was given. -+if test "${enable_signals+set}" = set; then -+ enableval=$enable_signals; if test "$enableval" = "yes" ; then -+ use_signals=1 -+ else -+ use_signals=0 -+ fi -+else -+ use_signals=0 -+fi -+ -+ -+ # preprocessing flag for signal trapping (experimental) -+ if test "$use_signals" -eq 1 ; then try_dflags="$try_dflags -D__TRAP_SIGUSR1" ; fi -+ -+ -+ -+ -+# xlf compilers (AIX and powerpc) want comma-separated -D directives -+ -+ -+# xlf compilers (AIX and powerpc) want comma-separated -D directives -+if test "$xlf_flags" -ne 0 -+then -+ fdflags="`echo $dflags | sed 's/ */,/g'`" -+else -+ fdflags="\$(DFLAGS)" -+fi -+ -+ -+ -+ -+# Checking for ranlib... -+ -+ -+ -+ if test "$ranlib" != "echo" -+ then -+ # Extract the first word of "ranlib", so it can be a program name with args. -+set dummy ranlib; ac_word=$2 -+{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if test "${ac_cv_prog_ranlib+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$ranlib"; then -+ ac_cv_prog_ranlib="$ranlib" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ ac_cv_prog_ranlib="ranlib" -+ $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+done -+IFS=$as_save_IFS -+ -+ test -z "$ac_cv_prog_ranlib" && ac_cv_prog_ranlib="echo" -+fi -+fi -+ranlib=$ac_cv_prog_ranlib -+if test -n "$ranlib"; then -+ { $as_echo "$as_me:$LINENO: result: $ranlib" >&5 -+$as_echo "$ranlib" >&6; } -+else -+ { $as_echo "$as_me:$LINENO: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ fi -+ -+ if test "$arch" = "mac686"; then -+ if test "$ranlib" = "ranlib"; then -+ ranlib="ranlib -c" -+ fi -+ fi -+ -+ -+ -+ -+ -+ -+# check if wget or curl work -+ -+ -+ # Extract the first word of "wget", so it can be a program name with args. -+set dummy wget; ac_word=$2 -+{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if test "${ac_cv_prog_wget+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$wget"; then -+ ac_cv_prog_wget="$wget" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ ac_cv_prog_wget="wget -O" -+ $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+done -+IFS=$as_save_IFS -+ -+fi -+fi -+wget=$ac_cv_prog_wget -+if test -n "$wget"; then -+ { $as_echo "$as_me:$LINENO: result: $wget" >&5 -+$as_echo "$wget" >&6; } -+else -+ { $as_echo "$as_me:$LINENO: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ if test "$wget" = ""; then -+ # Extract the first word of "curl", so it can be a program name with args. -+set dummy curl; ac_word=$2 -+{ $as_echo "$as_me:$LINENO: checking for $ac_word" >&5 -+$as_echo_n "checking for $ac_word... " >&6; } -+if test "${ac_cv_prog_wget+set}" = set; then -+ $as_echo_n "(cached) " >&6 -+else -+ if test -n "$wget"; then -+ ac_cv_prog_wget="$wget" # Let the user override the test. -+else -+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR -+for as_dir in $PATH -+do -+ IFS=$as_save_IFS -+ test -z "$as_dir" && as_dir=. -+ for ac_exec_ext in '' $ac_executable_extensions; do -+ if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -+ ac_cv_prog_wget="curl -o" -+ $as_echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5 -+ break 2 -+ fi -+done -+done -+IFS=$as_save_IFS -+ -+fi -+fi -+wget=$ac_cv_prog_wget -+if test -n "$wget"; then -+ { $as_echo "$as_me:$LINENO: result: $wget" >&5 -+$as_echo "$wget" >&6; } -+else -+ { $as_echo "$as_me:$LINENO: result: no" >&5 -+$as_echo "no" >&6; } -+fi -+ -+ -+ fi -+ echo setting WGET... $wget -+ -+ -+ -+ -+ -+ -+if test "$dflags" = "" ; then dflags="$try_dflags" ; fi -+echo setting DFLAGS... $dflags -+ -+if test "$iflags" = "" ; then iflags="$try_iflags" ; fi -+echo setting IFLAGS... $iflags -+ -+# export sdditional ettings to generated files -+ -+ -+ -+ -+ -+ -+ -+ac_config_headers="$ac_config_headers include/c_defs.h:include/c_defs.h.in" -+ -+ac_config_files="$ac_config_files include/fft_defs.h:include/fft_defs.h.in" -+ -+ -+#AC_CONFIG_FILES(Makefile.cpu) -+ac_config_files="$ac_config_files make.sys" -+ -+ac_config_files="$ac_config_files configure.msg" -+ -+ac_config_files="$ac_config_files install/make_wannier90.sys" -+ -+ -+ -+cat >confcache <<\_ACEOF -+# This file is a shell script that caches the results of configure -+# tests run on this system so they can be shared between configure -+# scripts and configure runs, see configure's option --config-cache. -+# It is not useful on other systems. If it contains results you don't -+# want to keep, you may remove or edit it. -+# -+# config.status only pays attention to the cache file if you give it -+# the --recheck option to rerun configure. -+# -+# `ac_cv_env_foo' variables (set or unset) will be overridden when -+# loading this file, other *unset* `ac_cv_foo' will be assigned the -+# following values. -+ -+_ACEOF -+ -+# The following way of writing the cache mishandles newlines in values, -+# but we know of no workaround that is simple, portable, and efficient. -+# So, we kill variables containing newlines. -+# Ultrix sh set writes to stderr and can't be redirected directly, -+# and sets the high bit in the cache file unless we assign to the vars. -+( -+ for ac_var in `(set) 2>&1 | sed -n 's/^\([a-zA-Z_][a-zA-Z0-9_]*\)=.*/\1/p'`; do -+ eval ac_val=\$$ac_var -+ case $ac_val in #( -+ *${as_nl}*) -+ case $ac_var in #( -+ *_cv_*) { $as_echo "$as_me:$LINENO: WARNING: cache variable $ac_var contains a newline" >&5 -+$as_echo "$as_me: WARNING: cache variable $ac_var contains a newline" >&2;} ;; -+ esac -+ case $ac_var in #( -+ _ | IFS | as_nl) ;; #( -+ BASH_ARGV | BASH_SOURCE) eval $ac_var= ;; #( -+ *) $as_unset $ac_var ;; -+ esac ;; -+ esac -+ done -+ -+ (set) 2>&1 | -+ case $as_nl`(ac_space=' '; set) 2>&1` in #( -+ *${as_nl}ac_space=\ *) -+ # `set' does not quote correctly, so add quotes (double-quote -+ # substitution turns \\\\ into \\, and sed turns \\ into \). -+ sed -n \ -+ "s/'/'\\\\''/g; -+ s/^\\([_$as_cr_alnum]*_cv_[_$as_cr_alnum]*\\)=\\(.*\\)/\\1='\\2'/p" -+ ;; #( -+ *) -+ # `set' quotes correctly as required by POSIX, so do not add quotes. -+ sed -n "/^[_$as_cr_alnum]*_cv_[_$as_cr_alnum]*=/p" -+ ;; -+ esac | -+ sort -+) | -+ sed ' -+ /^ac_cv_env_/b end -+ t clear -+ :clear -+ s/^\([^=]*\)=\(.*[{}].*\)$/test "${\1+set}" = set || &/ -+ t end -+ s/^\([^=]*\)=\(.*\)$/\1=${\1=\2}/ -+ :end' >>confcache -+if diff "$cache_file" confcache >/dev/null 2>&1; then :; else -+ if test -w "$cache_file"; then -+ test "x$cache_file" != "x/dev/null" && -+ { $as_echo "$as_me:$LINENO: updating cache $cache_file" >&5 -+$as_echo "$as_me: updating cache $cache_file" >&6;} -+ cat confcache >$cache_file -+ else -+ { $as_echo "$as_me:$LINENO: not updating unwritable cache $cache_file" >&5 -+$as_echo "$as_me: not updating unwritable cache $cache_file" >&6;} -+ fi -+fi -+rm -f confcache -+ -+test "x$prefix" = xNONE && prefix=$ac_default_prefix -+# Let make expand exec_prefix. -+test "x$exec_prefix" = xNONE && exec_prefix='${prefix}' -+ -+DEFS=-DHAVE_CONFIG_H -+ -+ac_libobjs= -+ac_ltlibobjs= -+for ac_i in : $LIBOBJS; do test "x$ac_i" = x: && continue -+ # 1. 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Please make sure it is defined." >&2;} -+ -+ rm -f "$tmp/stdin" -+ case $ac_file in -+ -) cat "$tmp/out" && rm -f "$tmp/out";; -+ *) rm -f "$ac_file" && mv "$tmp/out" "$ac_file";; -+ esac \ -+ || { { $as_echo "$as_me:$LINENO: error: could not create $ac_file" >&5 -+$as_echo "$as_me: error: could not create $ac_file" >&2;} -+ { (exit 1); exit 1; }; } -+ ;; -+ :H) -+ # -+ # CONFIG_HEADER -+ # -+ if test x"$ac_file" != x-; then -+ { -+ $as_echo "/* $configure_input */" \ -+ && eval '$AWK -f "$tmp/defines.awk"' "$ac_file_inputs" -+ } >"$tmp/config.h" \ -+ || { { $as_echo "$as_me:$LINENO: error: could not create $ac_file" >&5 -+$as_echo "$as_me: error: could not create $ac_file" >&2;} -+ { (exit 1); exit 1; }; } -+ if diff "$ac_file" "$tmp/config.h" >/dev/null 2>&1; then -+ { $as_echo "$as_me:$LINENO: $ac_file is unchanged" >&5 -+$as_echo "$as_me: $ac_file is unchanged" >&6;} -+ else -+ rm -f "$ac_file" -+ mv "$tmp/config.h" "$ac_file" \ -+ || { { $as_echo "$as_me:$LINENO: error: could not create $ac_file" >&5 -+$as_echo "$as_me: error: could not create $ac_file" >&2;} -+ { (exit 1); exit 1; }; } -+ fi -+ else -+ $as_echo "/* $configure_input */" \ -+ && eval '$AWK -f "$tmp/defines.awk"' "$ac_file_inputs" \ -+ || { { $as_echo "$as_me:$LINENO: error: could not create -" >&5 -+$as_echo "$as_me: error: could not create -" >&2;} -+ { (exit 1); exit 1; }; } -+ fi -+ ;; -+ -+ -+ esac -+ -+done # for ac_tag -+ -+ -+{ (exit 0); exit 0; } -+_ACEOF -+chmod +x $CONFIG_STATUS -+ac_clean_files=$ac_clean_files_save -+ -+test $ac_write_fail = 0 || -+ { { $as_echo "$as_me:$LINENO: error: write failure creating $CONFIG_STATUS" >&5 -+$as_echo "$as_me: error: write failure creating $CONFIG_STATUS" >&2;} -+ { (exit 1); exit 1; }; } -+ -+ -+# configure is writing to config.log, and then calls config.status. -+# config.status does its own redirection, appending to config.log. -+# Unfortunately, on DOS this fails, as config.log is still kept open -+# by configure, so config.status won't be able to write to it; its -+# output is simply discarded. So we exec the FD to /dev/null, -+# effectively closing config.log, so it can be properly (re)opened and -+# appended to by config.status. When coming back to configure, we -+# need to make the FD available again. -+if test "$no_create" != yes; then -+ ac_cs_success=: -+ ac_config_status_args= -+ test "$silent" = yes && -+ ac_config_status_args="$ac_config_status_args --quiet" -+ exec 5>/dev/null -+ $SHELL $CONFIG_STATUS $ac_config_status_args || ac_cs_success=false -+ exec 5>>config.log -+ # Use ||, not &&, to avoid exiting from the if with $? = 1, which -+ # would make configure fail if this is the last instruction. -+ $ac_cs_success || { (exit 1); exit 1; } -+fi -+if test -n "$ac_unrecognized_opts" && test "$enable_option_checking" != no; then -+ { $as_echo "$as_me:$LINENO: WARNING: unrecognized options: $ac_unrecognized_opts" >&5 -+$as_echo "$as_me: WARNING: unrecognized options: $ac_unrecognized_opts" >&2;} -+fi -+ -+ -+# final messages -+sed '/@delete@/d' configure.msg -+echo configure: success -diff -urN espresso-5.3.0-orig/install/m4/x_ac_qe_default_env.m4 espresso-5.3.0-new/install/m4/x_ac_qe_default_env.m4 ---- espresso-5.3.0-orig/install/m4/x_ac_qe_default_env.m4 2016-01-09 02:24:16.000000000 -0600 -+++ espresso-5.3.0-new/install/m4/x_ac_qe_default_env.m4 2016-08-29 20:13:54.949432900 -0500 -@@ -39,6 +39,7 @@ - scalapack_libs=$SCALAPACK_LIBS # scalapack libs - scalapack_dir=$SCALAPACK_LIB # Where to look for scalapack libs - blacs_dir=$BLACS_LIB # Where to look for libblacs.a -+hdf5_dir=$HDF5_DIR # Where to look for HDF5 - ar=$AR # ar (shouldn't be needed) - arflags=$ARFLAGS # Flags for ar (as above) - extlib_flags=$EXTLIB_FLAGS # Flags for internal copies of lapack and blas -diff -urN espresso-5.3.0-orig/install/m4/x_ac_qe_hdf5.m4 espresso-5.3.0-new/install/m4/x_ac_qe_hdf5.m4 ---- espresso-5.3.0-orig/install/m4/x_ac_qe_hdf5.m4 1969-12-31 18:00:00.000000000 -0600 -+++ espresso-5.3.0-new/install/m4/x_ac_qe_hdf5.m4 2016-08-29 20:13:54.949432900 -0500 -@@ -0,0 +1,47 @@ -+# Copyright (C) 2001-2016 Quantum ESPRESSO Foundation -+ -+AC_DEFUN([X_AC_QE_HDF5], [ -+ -+ AC_MSG_CHECKING([HDF5]) -+ -+AC_ARG_WITH(hdf5, -+ [AS_HELP_STRING([--with-hdf5], -+ [use hdf5 if available (default: yes)])], -+ [if test "$withval" = "yes" ; then -+ with_hdf5=1 -+ else -+ with_hdf5=0 -+ fi], -+ [with_hdf5=0]) -+ -+hdf5_libs="" -+ -+cflags_c99="" -+ -+if test "$with_hdf5" -eq 1; then -+ CPPFLAGS="-I${hdf5_dir}/include" -+# LIBS="-L${hdf5_dir}/lib -lhdf5_fortran -lhdf5_hl -lhdf5" -+ LIBS="-L${hdf5_dir}/lib -lhdf5_hl -lhdf5" -+ echo $CPPFLAGS -+ echo $LIBS -+ AC_LANG_PUSH(C) -+ AC_CHECK_HEADER(hdf5.h, have_hdf5=1, AC_MSG_ERROR(Cannot find HDF5 header file.),) -+ if test "$have_hdf5" -eq 1 ; then -+ try_iflags="$try_iflags -I${hdf5_dir}/include" ; fi -+ AC_LANG_POP(C) -+# unset ac_cv_search_h5pset_fapl_mpio_c # clear cached value -+# AC_SEARCH_LIBS(h5pset_fapl_mpio_c, "", have_hdf5=1, AC_MSG_ERROR(Cannot find parallel HDF5 Fortran library.)) -+ if test "$have_hdf5" -eq 1 ; then -+ try_dflags="$try_dflags -D__HDF5 -DH5_USE_16_API" -+ hdf5_libs="$LIBS" -+ else -+ hdf5_libs="" -+ fi -+ cflags_c99="-std=c99" -+fi -+ -+ AC_MSG_RESULT(${hdf5_libs}) -+ AC_SUBST(hdf5_libs) -+ AC_SUBST(cflags_c99) -+ ] -+) -diff -urN espresso-5.3.0-orig/install/make.sys.in espresso-5.3.0-new/install/make.sys.in ---- espresso-5.3.0-orig/install/make.sys.in 2016-01-09 02:24:17.000000000 -0600 -+++ espresso-5.3.0-new/install/make.sys.in 2016-08-29 20:13:54.949432900 -0500 -@@ -81,6 +81,10 @@ - F90FLAGS = @f90flags@ @pre_fdflags@$(FDFLAGS) $(IFLAGS) $(MODFLAGS) - FFLAGS = @fflags@ - -+# compiler flags with C99 standard -+# needed only with HDF5 -+CFLAGS_C99 = @cflags_c99@ -+ - # compiler flags without optimization for fortran-77 - # the latter is NEEDED to properly compile dlamch.f, used by lapack - -@@ -98,7 +102,7 @@ - LDFLAGS = @ldflags@ - LD_LIBS = @ld_libs@ - --# External Libraries (if any) : blas, lapack, fft, MPI -+# External Libraries (if any) : blas, lapack, fft, HDF5, MPI - - # If you have nothing better, use the local copy : - # BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a -@@ -124,6 +128,10 @@ - - FFT_LIBS = @fft_libs@ - -+# needed for pw2qmcpack -+ -+HDF5_LIBS = @hdf5_libs@ -+ - # For parallel execution, the correct path to MPI libraries must - # be specified in MPI_LIBS (except for IBM if you use mpxlf) - -@@ -148,7 +156,7 @@ - FLIB_TARGETS = all - - LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a --LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS) -+LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(HDF5_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS) - - # wget or curl - useful to download from network - WGET = @wget@ -diff -urN espresso-5.3.0-orig/PP/src/Makefile espresso-5.3.0-new/PP/src/Makefile ---- espresso-5.3.0-orig/PP/src/Makefile 2016-01-09 02:23:54.000000000 -0600 -+++ espresso-5.3.0-new/PP/src/Makefile 2016-08-29 20:13:54.921433117 -0500 -@@ -62,7 +62,7 @@ - plan_avg.x plotband.x plotproj.x plotrho.x pmw.x pp.x projwfc.x \ - pawplot.x sumpdos.x pw2wannier90.x pw_export.x pw2gw.x \ - wannier_ham.x wannier_plot.x molecularpdos.x \ -- pw2bgw.x bgw2pw.x wfck2r.x importexport_binary.x -+ pw2bgw.x bgw2pw.x wfck2r.x importexport_binary.x pw2qmcpack.x - - - libpp.a : $(PPOBJS) -@@ -205,6 +205,11 @@ - fermisurface.o libpp.a $(MODULES) $(LIBOBJS) $(LIBS) - - ( cd ../../bin ; ln -fs ../PP/src/$@ . ) - -+pw2qmcpack.x : pw2qmcpack.o libpp.a $(MODULES) $(LIBOBJS) -+ $(LD) $(LDFLAGS) -o $@ \ -+ pw2qmcpack.o libpp.a $(MODULES) $(LIBOBJS) $(LIBS) -+ - ( cd ../../bin ; ln -fs ../PP/src/$@ . ) -+ - tldeps : - if test -n "$(TLDEPS)" ; then \ - ( cd ../.. ; $(MAKE) $(TLDEPS) || exit 1 ) ; fi -diff -urN espresso-5.3.0-orig/PP/src/pw2qmcpack.f90 espresso-5.3.0-new/PP/src/pw2qmcpack.f90 ---- espresso-5.3.0-orig/PP/src/pw2qmcpack.f90 1969-12-31 18:00:00.000000000 -0600 -+++ espresso-5.3.0-new/PP/src/pw2qmcpack.f90 2016-08-29 20:18:38.879239054 -0500 -@@ -0,0 +1,1286 @@ -+! -+! Copyright (C) 2004 PWSCF group -+! This file is distributed under the terms of the -+! GNU General Public License. See the file `License' -+! in the root directory of the present distribution, -+! or http://www.gnu.org/copyleft/gpl.txt . -+! -+!----------------------------------------------------------------------- -+PROGRAM pw2qmcpack -+ !----------------------------------------------------------------------- -+ -+ ! This subroutine writes the file "prefix".pwscf.xml and "prefix".pwscf.h5 -+ ! containing the plane wave coefficients and other stuff needed by QMCPACK. -+ -+ USE io_files, ONLY : nd_nmbr, prefix, outdir, tmp_dir -+ USE io_global, ONLY : stdout, ionode, ionode_id -+ USE mp, ONLY : mp_bcast -+ USE mp_global, ONLY : mp_startup, npool, nimage, nproc_pool, nproc_file, nproc_pool_file -+ USE control_flags, ONLY : twfcollect, gamma_only -+ USE mp_world, ONLY : world_comm, nproc -+ USE environment,ONLY : environment_start, environment_end -+ USE KINDS, ONLY : DP -+ ! -+ IMPLICIT NONE -+ INTEGER :: ios -+ LOGICAL :: write_psir, expand_kp, debug -+ REAL(DP) :: t1, t2, dt -+ ! -+ CHARACTER(LEN=256), EXTERNAL :: trimcheck -+ -+ NAMELIST / inputpp / prefix, outdir, write_psir, expand_kp, debug -+#ifdef __PARA -+ CALL mp_startup ( ) -+#endif -+ -+ CALL environment_start ( 'pw2qmcpack' ) -+#if defined(__HDF5) -+ IF ( nimage > 1) & -+ CALL errore('pw2qmcpack', ' image parallelization not (yet) implemented', 1) -+ -+ ! CALL start_postproc(nd_nmbr) -+ ! -+ ! set default values for variables in namelist -+ ! -+ prefix = 'pwscf' -+ write_psir = .false. -+ expand_kp = .false. -+ debug = .false. -+ CALL get_environment_variable( 'ESPRESSO_TMPDIR', outdir ) -+ IF ( TRIM( outdir ) == ' ' ) outdir = './' -+ ios = 0 -+ IF ( ionode ) THEN -+ ! -+ CALL input_from_file ( ) -+ !READ (5, inputpp, err=200, iostat=ios) -+ READ (5, inputpp, iostat=ios) -+ tmp_dir = trimcheck (outdir) -+ ! -+ END IF -+ CALL mp_bcast( ios, ionode_id, world_comm ) -+ IF ( ios/=0 ) CALL errore('pw2qmcpack', 'reading inputpp namelist', ABS(ios)) -+ ! -+ ! ... Broadcast variables -+ ! -+ CALL mp_bcast(prefix, ionode_id, world_comm ) -+ CALL mp_bcast(tmp_dir, ionode_id, world_comm ) -+ CALL mp_bcast(write_psir, ionode_id, world_comm ) -+ CALL mp_bcast(expand_kp, ionode_id, world_comm ) -+ CALL mp_bcast(debug, ionode_id, world_comm ) -+ ! -+ ! NAR Previously a call to read_file below, read_file_lite is much faster! -+ CALL start_clock ( 'read_file_lite' ) -+ CALL read_file_lite -+ CALL stop_clock ( 'read_file_lite' ) -+ IF ( ( nproc /= nproc_file .or. nproc_pool /= nproc_pool_file) .and. .not. twfcollect) & -+ CALL errore('pw2qmcpack', 'pw.x run with different numbers of procs and pools. & -+ & Rerun pw2qmcpack.x with the same procs and pools as pw.x. & -+ & Or use wf_collect=.true. in pw.x input file.',1) -+ IF ( gamma_only ) & -+ CALL errore('pw2qmcpack', 'Using gamma trick results a reduced G space that is not supported by QMCPACK & -+ & though pw2qmcpack itself still can convert the WF to an h5 file in this case (experts only). & -+ & Please run pw.x with k point 0.0 0.0 0.0 instead of gamma.',1) -+ ! -+ CALL openfil_pp -+ ! -+ CALL start_clock ( 'compute_qmcpack' ) -+ CALL compute_qmcpack(write_psir, expand_kp, debug) -+ CALL stop_clock ( 'compute_qmcpack' ) -+ ! -+ IF ( ionode ) THEN -+ WRITE( 6, * ) -+ ! -+ CALL print_clock( 'read_file_lite' ) -+ CALL print_clock( 'compute_qmcpack' ) -+ ! -+ WRITE( 6, '(/5x,"Called by read_file_lite:")' ) -+ CALL print_clock ( 'read_pseudo' ) -+ CALL print_clock ( 'read_rho' ) -+ CALL print_clock ( 'fft_rho' ) -+ CALL print_clock ( 'read_wave' ) -+ ! -+ WRITE( 6, '(/5x,"Called by compute_qmcpack:")' ) -+ CALL print_clock ( 'big_loop' ) -+ CALL print_clock ( 'write_h5' ) -+ CALL print_clock ( 'glue_h5' ) -+ ENDIF -+#else -+ CALL errore('pw2qmcpack', ' HDF5 flag not enabled during configure',1) -+#endif -+ CALL environment_end ( 'pw2qmcpack' ) -+ CALL stop_pp -+ STOP -+ -+ -+ -+END PROGRAM pw2qmcpack -+ -+ -+SUBROUTINE compute_qmcpack(write_psir, expand_kp, debug) -+ -+ USE kinds, ONLY: DP -+ USE ions_base, ONLY : nat, ntyp => nsp, ityp, tau, zv, atm -+ USE cell_base, ONLY: omega, alat, tpiba2, at, bg -+ USE constants, ONLY: tpi -+ USE run_info, ONLY: title -+ USE gvect, ONLY: ngm, ngm_g, g, ig_l2g -+ USE gvecs, ONLY : nls, nlsm -+ USE klist , ONLY: nks, nelec, nelup, neldw, wk, xk, nkstot -+ USE lsda_mod, ONLY: lsda, nspin, isk -+ USE scf, ONLY: rho, rho_core, rhog_core, vnew -+ USE wvfct, ONLY: npw, npwx, nbnd, igk, g2kin, wg, et, ecutwfc -+ USE control_flags, ONLY: gamma_only -+ USE becmod, ONLY: becp, calbec, allocate_bec_type, deallocate_bec_type -+ USE io_global, ONLY: stdout, ionode, ionode_id -+ USE mp_world, ONLY: world_comm, mpime -+ USE io_files, ONLY: nd_nmbr, nwordwfc, iunwfc, iun => iunsat, tmp_dir, prefix -+ USE wavefunctions_module, ONLY : evc, psic -+ use iotk_module -+ use iotk_xtox_interf -+ USE mp_global, ONLY: inter_pool_comm, intra_pool_comm, nproc_pool, kunit -+ USE mp_global, ONLY: npool, my_pool_id, intra_image_comm -+ USE mp_pools, ONLY: me_pool -+ USE mp, ONLY: mp_sum, mp_max, mp_bcast, mp_barrier -+ use scatter_mod, ONLY : gather_grid, scatter_grid -+ use fft_base, ONLY : dffts -+ use fft_interfaces, ONLY : invfft, fwfft -+ USE dfunct, ONLY : newd -+ USE symm_base, ONLY : nsym, s, ftau -+ -+ IMPLICIT NONE -+ LOGICAL :: write_psir, expand_kp, debug -+ LOGICAL :: pool_ionode -+ INTEGER :: ig, ibnd, ik, io, na, j, ispin, nbndup, nbnddown, & -+ nk, ngtot, ig7, ikk, iks, kpcnt, jks, nt, ijkb0, ikb, ih, jh, jkb, at_num, & -+ nelec_tot, nelec_up, nelec_down, ii, igx, igy, igz, n_rgrid(3), & -+ nkqs, nr1s,nr2s,nr3s -+ INTEGER, ALLOCATABLE :: indx(:), igtog(:), igtomin(:), g_global_to_local(:) -+ LOGICAL :: exst, found -+ REAL(DP) :: ek, eloc, enl, charge, etotefield -+ REAL(DP) :: bg_qmc(3,3), g_red(3), lattice_real(3,3) -+ COMPLEX(DP), ALLOCATABLE :: phase(:),eigpacked(:) -+ COMPLEX(DP), ALLOCATABLE :: psitr(:) -+ REAL(DP), ALLOCATABLE :: tau_r(:,:),psireal(:),eigval(:) !,g_cart(:,:) -+ INTEGER :: ios, ierr, h5len,oldh5,ig_c,save_complex, nup,ndown -+ INTEGER, EXTERNAL :: atomic_number, is_complex -+ !REAL(DP), ALLOCATABLE :: g_qmc(:,:) -+ INTEGER, ALLOCATABLE :: gint_den(:,:), gint_qmc(:,:) -+ COMPLEX(DP), ALLOCATABLE :: den_g_global(:,:) -+ REAL (DP), EXTERNAL :: ewald -+ COMPLEX(DP), ALLOCATABLE, TARGET :: tmp_psic(:) -+ COMPLEX(DP), DIMENSION(:), POINTER :: psiCptr -+ REAL(DP), DIMENSION(:), POINTER :: psiRptr -+! ********************************************************************** -+ INTEGER :: npw_sym -+ INTEGER, ALLOCATABLE, TARGET :: igk_sym(:) -+ REAL(DP), ALLOCATABLE :: g2kin_sym(:) -+! ********************************************************************** -+ INTEGER :: nkfull,max_nk,max_sym,isym,nxxs -+ INTEGER , ALLOCATABLE :: num_irrep(:) -+ INTEGER, ALLOCATABLE :: xkfull_index(:,:) ! maps to sym_list and xk_full_list -+ INTEGER, ALLOCATABLE :: sym_list(:) -+ REAL(DP), ALLOCATABLE :: xk_full_list(:,:) -+ REAL(DP) :: t1, t2, dt -+ integer, allocatable :: rir(:) -+ COMPLEX(DP), ALLOCATABLE :: tmp_evc(:) -+ -+ CHARACTER(256) :: tmp,h5name,eigname,tmp_combo -+ CHARACTER(iotk_attlenx) :: attr -+ -+ INTEGER :: rest, nbase, basekindex, nktot -+ real (dp) :: xk_cryst(3) -+ -+ INTEGER :: npwx_tot, igk_g; -+ -+ NULLIFY(psiRptr) -+ NULLIFY(psiCptr) -+ -+ ! Ye Luo -+ ! define the pool level ionode -+ ! an image ionode must be pool ionode -+ if(me_pool==0) then -+ pool_ionode=.true. -+ else -+ pool_ionode=.false. -+ endif -+ -+ ! MAMorales: -+ ! removed USPP functions -+ -+ ! Ye Luo: -+ ! sum up npwx to npwx_tot inside a pool and maximize it among pools. -+ npwx_tot = npwx -+ CALL mp_sum ( npwx_tot, intra_pool_comm ) -+ CALL mp_max ( npwx_tot, inter_pool_comm ) -+ !write(*,*) mpime, ionode_id, npwx_tot, npw -+ -+ ! this limits independent definition of ecutrho to < 4*ecutwf -+ ! four times npwx should be enough -+ ALLOCATE (indx (4*npwx_tot) ) -+ ALLOCATE (igtog (4*npwx_tot) ) -+ ALLOCATE (g_global_to_local(ngm_g) ) -+ ALLOCATE (igtomin(4*npwx_tot) ) -+ ALLOCATE (tmp_evc(npwx_tot) ) -+ -+ indx(:) = 0 -+ igtog(:) = 0 -+ igtomin(:) = 0 -+ -+ rest = ( nkstot - kunit * ( nkstot / kunit / npool ) * npool ) / kunit -+ nbase = nks * my_pool_id -+ IF ( ( my_pool_id + 1 ) > rest ) nbase = nbase + rest * kunit -+ !write(*,*) "debug",mpime, nks, nbase -+ -+ IF( lsda ) THEN -+! IF( expand_kp ) & -+! CALL errore ('pw2qmcpack','expand_kp not implemented with nspin>1`', 1) -+ nbndup = nbnd -+ nbnddown = nbnd -+ nk = nks/2 -+ nktot = nkstot/2 -+ ! nspin = 2 -+ ELSE -+ nbndup = nbnd -+ nbnddown = 0 -+ nk = nks -+ nktot = nkstot -+ ! nspin = 1 -+ ENDIF -+ -+! ! sanity check for lsda logic to follow -+! if (ionode) then -+! DO ik = 1, nktot -+! iks=ik+nktot -+! xk_cryst(:) = at(1,:)*xk(1,ik) + at(2,:)*xk(2,ik) + at(3,:)*xk(3,ik) - ( at(1,:)*xk(1,iks) + at(2,:)*xk(2,iks) + at(3,:)*xk(3,iks)) -+! if (abs(xk_cryst(1))+abs(xk_cryst(2))+abs(xk_cryst(3)) .gt. 1e-12) then -+! print *,"not paired %i %i",ik,iks -+! endif -+! ENDDO -+! endif -+ -+ -+ ! -+ -+ ! for now, I'm assuming that symmetry rotations do not affect npw, -+ ! meaning that rotations don't displace elements outside the cutoff -+ nr1s = dffts%nr1 -+ nr2s = dffts%nr2 -+ nr3s = dffts%nr3 -+ nxxs = dffts%nr1x * dffts%nr2x * dffts%nr3x -+ allocate (igk_sym( npwx ), g2kin_sym ( npwx ) ) -+ -+ if (ionode) then -+ if(expand_kp) then -+ max_sym = min(48, 2 * nsym) -+ max_nk = nktot * max_sym -+ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,max_sym),sym_list(max_nk)) -+ ALLOCATE(xk_full_list(3,max_nk)) -+ ALLOCATE(rir(nxxs)) -+ call generate_symmetry_equivalent_list() -+ if(ionode) print *,'Total number of k-points after expansion:',nkfull -+ else -+ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,1),sym_list(nktot)) -+ ALLOCATE(xk_full_list(3,nktot)) -+ nkfull = nktot -+ do ik = 1, nktot -+ xk_full_list(:,ik) = xk(:,ik) -+ num_irrep(ik) = 1 -+ sym_list(ik) = 1 -+ xkfull_index(ik,1) = ik -+ enddo -+ endif -+ else -+ if(expand_kp) then -+ max_sym = min(48, 2 * nsym) -+ max_nk = nktot * max_sym -+ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,max_sym),sym_list(max_nk)) -+ ALLOCATE(xk_full_list(3,max_nk)) -+ ALLOCATE(rir(nxxs)) -+ else -+ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,1),sym_list(nktot)) -+ ALLOCATE(xk_full_list(3,nktot)) -+ nkfull = nktot -+ endif -+ endif -+ -+ CALL mp_bcast(xkfull_index, ionode_id, world_comm ) -+ CALL mp_bcast(xk_full_list, ionode_id, world_comm ) -+ CALL mp_bcast(sym_list, ionode_id, world_comm ) -+ CALL mp_bcast(num_irrep, ionode_id, world_comm ) -+ CALL mp_bcast(nkfull, ionode_id, world_comm ) -+ -+ ! IF ( nbase > 0 ) THEN -+ ! num_irrep(1:nks) = num_irrep(nbase+1:nbase+nks) -+ ! xk_full_list(:,1:nks) = xk_full_list(:,nbase+1:nbase+nks) -+ ! END IF -+ -+ DO ik = 1, nks -+ basekindex = ik + nbase -+ CALL gk_sort (xk (1, basekindex), ngm, g, ecutwfc / tpiba2, npw, igk, g2kin) -+ -+ DO ig =1, npw -+ ! mapping to the global g vectors. -+ igk_g = ig_l2g(igk(ig)) -+ IF( igk_g > 4*npwx_tot ) & -+ CALL errore ('pw2qmcpack','increase allocation of index', ig) -+ indx( igk_g ) = 1 -+ ENDDO -+ ENDDO -+ call mp_max(indx, world_comm) -+ -+ ngtot = 0 -+ ! igtomin maps indices from the full set of G-vectors to the -+ ! minimal set which includes the G-spheres of all k-points -+ DO ig = 1, 4*npwx_tot -+ IF( indx(ig) > 0 ) THEN -+ ngtot = ngtot + 1 -+ igtog(ngtot) = ig -+ igtomin(ig) = ngtot -+ ENDIF -+ ENDDO -+ -+ if (debug) then -+ write(6,"(A)") " pw2qmcpack found" -+ write(6,"(A,A8,2A8,4A10,1A4)") " MPI rank", "pool id", "npwx", "npw", "npwx_tot", "ngtot", "ngm", "ngm_g", "nks" -+ write(*,"(A,I9,I8,2I8,4I10,1I4)") " ", mpime, me_pool, npwx, npw, npwx_tot, ngtot, ngm, ngm_g, nks -+ endif -+ -+ ALLOCATE (gint_qmc(3,ngtot)) -+ ALLOCATE (gint_den(3,ngm_g)) -+ ALLOCATE (den_g_global(ngm_g,nspin)) -+ !ALLOCATE (g_qmc(3,ngtot)) -+ !ALLOCATE (g_cart(3,ngtot)) -+ ALLOCATE (tau_r(3,nat)) -+ -+ ! get the number of electrons -+ nelec_tot= NINT(nelec) -+ nup=NINT(nelup) -+ ndown=NINT(neldw) -+ -+ if(nup .eq. 0) then -+ ndown=nelec_tot/2 -+ nup=nelec_tot-ndown -+ endif -+ -+ bg_qmc(:,:)=bg(:,:)/alat -+ -+ if((npool>1) .and. (my_pool_id>0)) then -+ h5name = TRIM( prefix ) // '.pwscf.h5' // "_part"//trim(iotk_itoa(my_pool_id)) -+ else -+ h5name = TRIM( prefix ) // '.pwscf.h5' -+ endif -+ eigname = "eigenstates_"//trim(iotk_itoa(nr1s))//'_'//trim(iotk_itoa(nr2s))//'_'//trim(iotk_itoa(nr3s)) -+ -+ tmp = TRIM( tmp_dir )//TRIM( h5name ) -+ h5len = LEN_TRIM(tmp) -+ -+#if defined(__HDF5) -+ ! writing to xml and hdf5 -+ ! open hdf5 file -+ oldh5=0 -+ if(pool_ionode) CALL esh5_open_file(tmp,h5len,oldh5) -+ -+ -+ if(ionode) then -+ !! create a file for particle set -+ tmp = TRIM( tmp_dir ) // TRIM( prefix )// '.ptcl.xml' -+ CALL iotk_open_write(iun, FILE=TRIM(tmp), ROOT="qmcsystem", IERR=ierr ) -+ -+ CALL iotk_write_attr (attr,"name","global",first=.true.) -+ CALL iotk_write_begin(iun, "simulationcell",ATTR=attr) -+ CALL iotk_write_attr (attr,"name","lattice",first=.true.) -+ CALL iotk_write_attr (attr,"units","bohr") -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ -+ lattice_real=alat*at -+ WRITE(iun,100) lattice_real(1,1), lattice_real(2,1), lattice_real(3,1) -+ WRITE(iun,100) lattice_real(1,2), lattice_real(2,2), lattice_real(3,2) -+ WRITE(iun,100) lattice_real(1,3), lattice_real(2,3), lattice_real(3,3) -+ -+ CALL esh5_write_supercell(lattice_real) -+ -+ CALL iotk_write_end(iun, "parameter") -+ CALL iotk_write_attr (attr,"name","reciprocal",first=.true.) -+ CALL iotk_write_attr (attr,"units","2pi/bohr") -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ WRITE(iun,100) bg_qmc(1,1), bg_qmc(2,1), bg_qmc(3,1) -+ WRITE(iun,100) bg_qmc(1,2), bg_qmc(2,2), bg_qmc(3,2) -+ WRITE(iun,100) bg_qmc(1,3), bg_qmc(2,3), bg_qmc(3,3) -+ CALL iotk_write_end(iun, "parameter") -+ -+ CALL iotk_write_attr (attr,"name","bconds",first=.true.) -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ WRITE(iun,'(a)') 'p p p' -+ CALL iotk_write_end(iun, "parameter") -+ -+ CALL iotk_write_attr (attr,"name","LR_dim_cutoff",first=.true.) -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ WRITE(iun,'(a)') '15' -+ CALL iotk_write_end(iun, "parameter") -+ CALL iotk_write_end(iun, "simulationcell") -+ -+ ! -+ CALL iotk_write_attr (attr,"name","ion0",first=.true.) -+ CALL iotk_write_attr (attr,"size",nat) -+ CALL iotk_write_begin(iun, "particleset",ATTR=attr) -+ -+ CALL esh5_open_atoms(nat,ntyp) -+ -+ ! ionic species --> group -+ DO na=1,ntyp -+ -+ tmp=TRIM(atm(na)) -+ h5len=LEN_TRIM(tmp) -+ CALL esh5_write_species(na,tmp,h5len,atomic_number(tmp),zv(na)) -+ -+ CALL iotk_write_attr (attr,"name",TRIM(atm(na)),first=.true.) -+ CALL iotk_write_begin(iun, "group",ATTR=attr) -+ CALL iotk_write_attr (attr,"name","charge",first=.true.) -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ write(iun,*) zv(na) -+ CALL iotk_write_end(iun, "parameter") -+ -+ CALL iotk_write_end(iun, "group") -+ ENDDO -+ -+ -+ ! -+ CALL iotk_write_attr (attr,"name","ionid",first=.true.) -+ CALL iotk_write_attr (attr,"datatype","stringArray") -+ CALL iotk_write_begin(iun, "attrib",ATTR=attr) -+ write(iun,'(a)') (TRIM(atm(ityp(na))),na=1,nat) -+ CALL iotk_write_end(iun, "attrib") -+ -+ ! -+ CALL iotk_write_attr (attr,"name","position",first=.true.) -+ CALL iotk_write_attr (attr,"datatype","posArray") -+ CALL iotk_write_attr (attr,"condition","0") -+ CALL iotk_write_begin(iun, "attrib",ATTR=attr) -+ ! write in cartesian coordinates in bohr -+ ! problem with xyz ordering inrelation to real-space grid -+ DO na = 1, nat -+ tau_r(1,na)=alat*tau(1,na) -+ tau_r(2,na)=alat*tau(2,na) -+ tau_r(3,na)=alat*tau(3,na) -+ WRITE(iun,100) (tau_r(j,na),j=1,3) -+ ENDDO -+ !write(iun,100) tau -+ CALL iotk_write_end(iun, "attrib") -+ CALL iotk_write_end(iun, "particleset") -+ -+ !cartesian positions -+ CALL esh5_write_positions(tau_r) -+ CALL esh5_write_species_ids(ityp) -+ -+ CALL esh5_close_atoms() -+ ! -+ -+ ! -+ CALL iotk_write_attr (attr,"name","e",first=.true.) -+ CALL iotk_write_attr (attr,"random","yes") -+ CALL iotk_write_attr (attr,"random_source","ion0") -+ CALL iotk_write_begin(iun, "particleset",ATTR=attr) -+ -+ ! -+ CALL iotk_write_attr (attr,"name","u",first=.true.) -+ CALL iotk_write_attr (attr,"size",nup) -+ CALL iotk_write_begin(iun, "group",ATTR=attr) -+ CALL iotk_write_attr (attr,"name","charge",first=.true.) -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ write(iun,*) -1 -+ CALL iotk_write_end(iun, "parameter") -+ CALL iotk_write_end(iun, "group") -+ -+ ! -+ CALL iotk_write_attr (attr,"name","d",first=.true.) -+ CALL iotk_write_attr (attr,"size",ndown) -+ CALL iotk_write_begin(iun, "group",ATTR=attr) -+ CALL iotk_write_attr (attr,"name","charge",first=.true.) -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ write(iun,*) -1 -+ CALL iotk_write_end(iun, "parameter") -+ CALL iotk_write_end(iun, "group") -+ CALL iotk_write_end(iun, "particleset") -+ CALL iotk_close_write(iun) -+ -+ !! close the file -+ !!DO ik = 0, nk-1 -+ ik=0 -+ ! NOT create a xml input file for each k-point -+ ! IF(nk .gt. 1) THEN -+ ! tmp = TRIM( tmp_dir ) // TRIM( prefix ) //TRIM(iotk_index(ik))// '.wfs.xml' -+ ! ELSE -+ ! tmp = TRIM( tmp_dir ) // TRIM( prefix )// '.wfs.xml' -+ ! ENDIF -+ tmp = TRIM( tmp_dir ) // TRIM( prefix )// '.wfs.xml' -+ CALL iotk_open_write(iun, FILE=TRIM(tmp), ROOT="qmcsystem", IERR=ierr ) -+ ! -+ CALL iotk_write_attr (attr,"name","psi0",first=.true.) -+ CALL iotk_write_attr (attr,"target","e") -+ CALL iotk_write_begin(iun, "wavefunction",ATTR=attr) -+ write(iun,'(a)') ' ' -+ CALL iotk_write_attr (attr,"type","bspline",first=.true.) -+ CALL iotk_write_attr (attr,"href",TRIM(h5name)) -+ CALL iotk_write_attr (attr,"sort","1") -+ CALL iotk_write_attr (attr,"tilematrix","1 0 0 0 1 0 0 0 1") -+ CALL iotk_write_attr (attr,"twistnum","0") -+ CALL iotk_write_attr (attr,"source","ion0") -+ CALL iotk_write_attr (attr,"version","0.10") -+ CALL iotk_write_begin(iun, "determinantset",ATTR=attr) -+ CALL iotk_write_attr (attr,"ecut",ecutwfc/2,first=.true.) -+ ! basisset to overwrite cutoff to a smaller value -+ !CALL iotk_write_begin(iun, "basisset",ATTR=attr) -+ ! ! add grid to use spline on FFT grid -+ ! CALL iotk_write_attr (attr,"dir","0",first=.true.) -+ ! CALL iotk_write_attr (attr,"npts",nr1s) -+ ! CALL iotk_write_attr (attr,"closed","no") -+ ! CALL iotk_write_empty(iun, "grid",ATTR=attr) -+ ! CALL iotk_write_attr (attr,"dir","1",first=.true.) -+ ! CALL iotk_write_attr (attr,"npts",nr2s) -+ ! CALL iotk_write_attr (attr,"closed","no") -+ ! CALL iotk_write_empty(iun, "grid",ATTR=attr) -+ ! CALL iotk_write_attr (attr,"dir","2",first=.true.) -+ ! CALL iotk_write_attr (attr,"npts",nr3s) -+ ! CALL iotk_write_attr (attr,"closed","no") -+ ! CALL iotk_write_empty(iun, "grid",ATTR=attr) -+ !CALL iotk_write_end(iun, "basisset") -+ -+ !CALL iotk_write_attr (attr,"href",TRIM(h5name),first=.true.) -+ !CALL iotk_write_empty(iun, "coefficients",ATTR=attr) -+ -+ ! write the index of the twist angle -+ !!!! remove twistIndex and twistAngle -+ !using determinantset@twistnum -+ !CALL iotk_write_attr (attr,"name","twistIndex",first=.true.) -+ !CALL iotk_write_begin(iun, "h5tag",ATTR=attr) -+ !write(iun,*) ik -+ !CALL iotk_write_end(iun, "h5tag") -+ -+ !CALL iotk_write_attr (attr,"name","twistAngle",first=.true.) -+ !CALL iotk_write_begin(iun, "h5tag",ATTR=attr) -+ !g_red(1)=at(1,1)*xk(1,ik+1)+at(2,1)*xk(2,ik+1)+at(3,1)*xk(3,ik+1) -+ !g_red(2)=at(1,2)*xk(1,ik+1)+at(2,2)*xk(2,ik+1)+at(3,2)*xk(3,ik+1) -+ !g_red(3)=at(1,3)*xk(1,ik+1)+at(2,3)*xk(2,ik+1)+at(3,3)*xk(3,ik+1) -+ !!write(iun,100) xk(1,ik+1),xk(2,ik+1),xk(3,ik+1) -+ !write(iun,100) g_red(1),g_red(2),g_red(3) -+ !CALL iotk_write_end(iun, "h5tag") -+ !write(iun,'(a)') ' ' -+ -+ -+ CALL iotk_write_begin(iun, "slaterdeterminant") -+ ! build determinant for up electrons -+ CALL iotk_write_attr (attr,"id","updet",first=.true.) -+ CALL iotk_write_attr (attr,"size",nup) -+ CALL iotk_write_begin(iun, "determinant",ATTR=attr) -+ CALL iotk_write_attr (attr,"mode","ground",first=.true.) -+ CALL iotk_write_attr (attr,"spindataset",0) -+ CALL iotk_write_begin(iun, "occupation",ATTR=attr) -+ CALL iotk_write_end(iun, "occupation") -+ CALL iotk_write_end(iun, "determinant") -+ -+ ! build determinant for down electrons -+ CALL iotk_write_attr (attr,"id","downdet",first=.true.) -+ CALL iotk_write_attr (attr,"size",ndown) -+ IF( lsda ) CALL iotk_write_attr (attr,"ref","updet") -+ CALL iotk_write_begin(iun, "determinant",ATTR=attr) -+ CALL iotk_write_attr (attr,"mode","ground",first=.true.) -+ IF( lsda ) THEN -+ CALL iotk_write_attr (attr,"spindataset",1) -+ ELSE -+ CALL iotk_write_attr (attr,"spindataset",0) -+ ENDIF -+ CALL iotk_write_begin(iun, "occupation",ATTR=attr) -+ CALL iotk_write_end(iun, "occupation") -+ CALL iotk_write_end(iun, "determinant") -+ CALL iotk_write_end(iun, "slaterdeterminant") -+ -+ CALL iotk_write_end(iun, "determinantset") -+ -+ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! -+ ! two-body jastro -+ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! -+ CALL iotk_write_attr (attr,"name","J2",first=.true.) -+ CALL iotk_write_attr (attr,"type","Two-Body"); -+ CALL iotk_write_attr (attr,"function","Bspline"); -+ CALL iotk_write_attr (attr,"print","yes"); -+ CALL iotk_write_begin(iun, "jastrow",ATTR=attr) -+ -+ ! for uu -+ CALL iotk_write_attr (attr,"speciesA","u",first=.true.) -+ CALL iotk_write_attr (attr,"speciesB","u") -+ !CALL iotk_write_attr (attr,"rcut","10") -+ CALL iotk_write_attr (attr,"size","8") -+ CALL iotk_write_begin(iun, "correlation",ATTR=attr) -+ CALL iotk_write_attr (attr,"id","uu",first=.true.) -+ CALL iotk_write_attr (attr,"type","Array") -+ CALL iotk_write_begin(iun, "coefficients",ATTR=attr) -+ write(iun,*) "0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0" -+ CALL iotk_write_end(iun, "coefficients") -+ CALL iotk_write_end(iun, "correlation") -+ -+ ! for ud -+ CALL iotk_write_attr (attr,"speciesA","u",first=.true.) -+ CALL iotk_write_attr (attr,"speciesB","d") -+ !CALL iotk_write_attr (attr,"rcut","10") -+ CALL iotk_write_attr (attr,"size","8") -+ CALL iotk_write_begin(iun, "correlation",ATTR=attr) -+ CALL iotk_write_attr (attr,"id","ud",first=.true.) -+ CALL iotk_write_attr (attr,"type","Array") -+ CALL iotk_write_begin(iun, "coefficients",ATTR=attr) -+ write(iun,*) "0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0" -+ CALL iotk_write_end(iun, "coefficients") -+ CALL iotk_write_end(iun, "correlation") -+ -+ CALL iotk_write_end(iun, "jastrow") -+ -+ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! -+ ! one-body jastro -+ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! -+ CALL iotk_write_attr (attr,"name","J1",first=.true.) -+ CALL iotk_write_attr (attr,"type","One-Body"); -+ CALL iotk_write_attr (attr,"function","Bspline"); -+ CALL iotk_write_attr (attr,"source","ion0"); -+ CALL iotk_write_attr (attr,"print","yes"); -+ CALL iotk_write_begin(iun, "jastrow",ATTR=attr) -+ -+ DO na=1,ntyp -+ tmp=TRIM(atm(na)) -+ tmp_combo='e'//TRIM(atm(na)) -+ -+ !h5len=LEN_TRIM(tmp) -+ CALL iotk_write_attr (attr,"elementType",TRIM(tmp),first=.true.) -+ !CALL iotk_write_attr (attr,"rcut","10") -+ CALL iotk_write_attr (attr,"size","8") -+ CALL iotk_write_begin(iun, "correlation",ATTR=attr) -+ -+ CALL iotk_write_attr (attr,"id",TRIM(tmp_combo),first=.true.) -+ CALL iotk_write_attr (attr,"type","Array") -+ CALL iotk_write_begin(iun, "coefficients",ATTR=attr) -+ write(iun,*) "0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0" -+ CALL iotk_write_end(iun, "coefficients") -+ CALL iotk_write_end(iun, "correlation") -+ ENDDO -+ CALL iotk_write_end(iun, "jastrow") -+ -+ CALL iotk_write_end(iun, "wavefunction") -+ -+ CALL iotk_close_write(iun) -+ !ENDDO -+ -+ endif ! ionode -+ -+ g_global_to_local(:)=0 -+ DO ig=1,ngm -+ g_global_to_local(ig_l2g(ig))=ig -+ ENDDO -+ -+ gint_qmc(:,:) = 0 -+ DO ig=1, ngtot -+ ig_c = g_global_to_local(igtog(ig)) -+ if (ig_c>0) then -+ !g_cart(1,ig)=tpi/alat*g(1,ig_c) -+ !g_cart(2,ig)=tpi/alat*g(2,ig_c) -+ !g_cart(3,ig)=tpi/alat*g(3,ig_c) -+ !g_qmc(1,ig)=at(1,1)*g(1,ig_c)+at(2,1)*g(2,ig_c)+at(3,1)*g(3,ig_c) -+ !g_qmc(2,ig)=at(1,2)*g(1,ig_c)+at(2,2)*g(2,ig_c)+at(3,2)*g(3,ig_c) -+ !g_qmc(3,ig)=at(1,3)*g(1,ig_c)+at(2,3)*g(2,ig_c)+at(3,3)*g(3,ig_c) -+ gint_qmc(1,ig)=NINT(at(1,1)*g(1,ig_c)+at(2,1)*g(2,ig_c)+at(3,1)*g(3,ig_c)) -+ gint_qmc(2,ig)=NINT(at(1,2)*g(1,ig_c)+at(2,2)*g(2,ig_c)+at(3,2)*g(3,ig_c)) -+ gint_qmc(3,ig)=NINT(at(1,3)*g(1,ig_c)+at(2,3)*g(2,ig_c)+at(3,3)*g(3,ig_c)) -+ !WRITE(io,'(3(1x,f20.15))') g_cart(1,ig),g_cart(2,ig),g_cart(3,ig) -+ endif -+ ENDDO -+ call mp_sum(gint_qmc, intra_pool_comm) -+ -+ gint_den(:,:) = 0 -+ DO ig=1,ngm -+ gint_den(1,ig_l2g(ig))=NINT(at(1,1)*g(1,ig)+at(2,1)*g(2,ig)+at(3,1)*g(3,ig)) -+ gint_den(2,ig_l2g(ig))=NINT(at(1,2)*g(1,ig)+at(2,2)*g(2,ig)+at(3,2)*g(3,ig)) -+ gint_den(3,ig_l2g(ig))=NINT(at(1,3)*g(1,ig)+at(2,3)*g(2,ig)+at(3,3)*g(3,ig)) -+ ENDDO -+ DO ispin=1,nspin -+ den_g_global(:,ispin) = 0.d0 -+ DO ig=1,ngm -+ den_g_global(ig_l2g(ig),ispin) = rho%of_g(ig,ispin) -+ ENDDO -+ ENDDO -+ -+ call mp_sum(gint_den, intra_pool_comm) -+ call mp_sum(den_g_global, intra_pool_comm) -+ -+ n_rgrid(1)=nr1s -+ n_rgrid(2)=nr2s -+ n_rgrid(3)=nr3s -+ -+ save_complex=0 -+ if(ionode) then -+ DO ik = 1, nktot -+ !! evaluate the phase -+ !phase(:) = (0.d0,0.d0) -+ !if ( ig_(ik,ib)>0) phase( nls(ig_(ik,ib)) ) = (1.d0,0.d0) -+ g_red(1)=at(1,1)*xk_full_list(1,ik)+at(2,1)*xk_full_list(2,ik)+at(3,1)*xk_full_list(3,ik) -+ g_red(2)=at(1,2)*xk_full_list(1,ik)+at(2,2)*xk_full_list(2,ik)+at(3,2)*xk_full_list(3,ik) -+ g_red(3)=at(1,3)*xk_full_list(1,ik)+at(2,3)*xk_full_list(2,ik)+at(3,3)*xk_full_list(3,ik) -+ -+ IF(g_red(1)*g_red(1)+g_red(2)*g_red(2)+g_red(3)*g_red(3)>1e-12) THEN -+ save_complex=1 -+ END IF -+ END DO -+ endif -+ -+ CALL mp_bcast(save_complex, ionode_id, world_comm ) -+ -+ -+ -+! WRITE(io,'(A10,3(1x,i6))') 'ngrid: ',n_rgrid(1:3) -+ -+ !CALL esh5_open_electrons(nup, ndown,nspin,nk,nbnd,n_rgrid)!, save_complex) -+ !CALL esh5_open_electrons(nup, ndown, nspin, nkfull, nbnd, n_rgrid)!, save_complex) -+ -+ if(pool_ionode) then -+ if(ionode) then -+ CALL esh5_open_electrons_base(nup, ndown, nspin, nkfull, nbnd, n_rgrid)!, save_complex) -+ else -+ CALL esh5_open_electrons(nup, ndown, nspin, nkfull, nbnd, n_rgrid)!, save_complex) -+ endif -+ endif -+ -+! IF (write_psir) THEN -+! CALL esh5_write_psi_r_mesh(n_rgrid) -+! ENDIF -+ -+ !!NOT YET DECIDED -+ !!CALL esh5_write_basis(g_qmc,g_cart,ngtot) -+ !!CALL esh5_write_parameters(nelec_tot,nspin,nbnd,nkfull,ecutwfc/2,alat,at) -+ ! -+ -+ ALLOCATE (eigpacked(ngtot)) -+ ALLOCATE (eigval(nbnd)) -+ -+!ionode writes all k-point and ev data -+ if(ionode)then -+ DO ik = 1, nkstot -+ basekindex = ik + nbase -+ ispin = 1 -+ if (basekindex > nktot) then -+ ispin = 2 -+ basekindex = basekindex - nktot -+ endif -+ DO iks = 1,num_irrep(basekindex) -+ jks = xkfull_index(basekindex,iks) -+ g_red(1)=at(1,1)*xk_full_list(1,jks)+at(2,1)*xk_full_list(2,jks)+at(3,1)*xk_full_list(3,jks) -+ g_red(2)=at(1,2)*xk_full_list(1,jks)+at(2,2)*xk_full_list(2,jks)+at(3,2)*xk_full_list(3,jks) -+ g_red(3)=at(1,3)*xk_full_list(1,jks)+at(2,3)*xk_full_list(2,jks)+at(3,3)*xk_full_list(3,jks) -+ -+ CALL esh5_open_kpoint(jks) -+ CALL esh5_write_kpoint_data(g_red,wk(basekindex)/num_irrep(basekindex),ngtot,iks,num_irrep(basekindex)) -+ -+ ! only the 1 index kpoint will write this g vectors -+ if(ik == 1) then -+ CALL esh5_write_gvectors_k(gint_qmc,ngtot) -+ endif -+ -+! if (lsda) then -+! ispin = isk(ik) -+! else -+! ispin=1 -+! endif -+ -+ CALL esh5_open_spin(ispin) -+ DO ibnd = 1, nbnd -+ eigval(ibnd)=0.5*et(ibnd,ik) -+ ENDDO -+ CALL esh5_write_eigvalues(eigval) -+ CALL esh5_close_spin() -+ -+ -+ CALL esh5_close_kpoint() -+ ENDDO -+ ENDDO -+ else -+ DO ik = 1, nks -+ basekindex = ik + nbase -+ if (basekindex > nktot) then -+ basekindex = basekindex - nktot -+ ispin=2 -+ else -+ ispin=1 -+ endif -+ DO iks = 1,num_irrep(basekindex) -+ jks = xkfull_index(basekindex,iks) -+ g_red(1)=at(1,1)*xk_full_list(1,jks)+at(2,1)*xk_full_list(2,jks)+at(3,1)*xk_full_list(3,jks) -+ g_red(2)=at(1,2)*xk_full_list(1,jks)+at(2,2)*xk_full_list(2,jks)+at(3,2)*xk_full_list(3,jks) -+ g_red(3)=at(1,3)*xk_full_list(1,jks)+at(2,3)*xk_full_list(2,jks)+at(3,3)*xk_full_list(3,jks) -+ -+ !! open kpoint -+ if(pool_ionode) CALL esh5_open_kpoint(jks) -+! CALL esh5_write_kpoint_data(g_red,wk(ik)/num_irrep(basekindex),ngtot) -+! if (lsda) then -+! ispin = isk(ik) -+! else -+! ispin=1 -+! endif -+ if(pool_ionode) CALL esh5_open_spin(ispin) -+ if(pool_ionode) CALL esh5_close_spin() -+ -+ if(pool_ionode) CALL esh5_close_kpoint() -+ -+ ENDDO -+ ENDDO -+ endif -+ -+100 FORMAT (3(1x,f20.15)) -+ -+ if(save_complex /=1 .and. write_psir) ALLOCATE(psireal(nxxs)) -+ if(write_psir .or. expand_kp) then -+ ALLOCATE(psitr(nxxs)) -+ IF(nproc_pool > 1) ALLOCATE(tmp_psic(nxxs)) -+ endif -+ -+! if(ionode) print *,'PW2QMCPACK npw=',npw,'ngtot=',ngtot -+ ! open real-space wavefunction on FFT grid -+ !!CALL esh5_open_eigr(nr1s,nr2s,nr3s) -+ !DO ik = 1, nk -+ -+ CALL start_clock ( 'big_loop' ) -+ if(nks .eq. 1) then ! treat 1 kpoint specially -+ if(pool_ionode) write(*,"(A,I8,A)") ' k pool ', my_pool_id, ' has only 1 Kpoint. Bypass everything ' -+ ik=1 -+ basekindex = ik + nbase -+ if (basekindex > nktot) then -+ basekindex = basekindex - nktot -+ ispin=2 -+ else -+ ispin=1 -+ endif -+ if(debug) write(6,*) " starting davcio!" -+ CALL davcio (evc, 2*nwordwfc, iunwfc, ik, - 1) -+ if(debug) write(6,*) " davcio ends!" -+ if(pool_ionode) CALL esh5_open_kpoint(basekindex) -+ if(pool_ionode) CALL esh5_open_spin(ispin) -+ DO ibnd = 1, nbnd -+ eigpacked(:)=(0.d0,0.d0) -+ eigpacked(igtomin(ig_l2g(igk(1:npw))))=evc(1:npw,ibnd) -+ if(debug) write(6,"(A,1I5)") " collecting band ", ibnd -+ CALL mp_sum ( eigpacked , intra_pool_comm ) -+ if(debug) write(6,"(A,1I5)") " writing band ", ibnd -+ if(pool_ionode) CALL esh5_write_psi_g(ibnd,eigpacked,ngtot) -+ enddo -+ if(pool_ionode) CALL esh5_close_spin() -+ if(pool_ionode) CALL esh5_close_kpoint() -+ else ! nk .neq. 1 -+ DO ik = 1, nks -+ basekindex = ik + nbase -+ if (basekindex > nktot) then -+ basekindex = basekindex - nktot -+ ispin=2 -+ else -+ ispin=1 -+ endif -+ DO iks = 1,num_irrep(basekindex) -+ jks = xkfull_index(basekindex,iks) -+ isym = sym_list(jks) -+ -+ if(expand_kp) then -+ call generate_symmetry_rotation(isym) -+ endif -+ -+ if(pool_ionode) CALL esh5_open_kpoint(jks) -+ -+! if(ionode) print *,'PW2QMCPACK ik,iks=',ik,iks -+ -+! DO ispin = 1, nspin -+! ikk = ik + nk*(ispin-1) -+! if (lsda) then -+! ispin = isk(ik) -+! else -+! ispin=1 -+! endif -+ -+ !!! MAM: This could be outside the num_irrep group is ispin = 1, -+ !!! can I switch the order of esh5_open_spin and -+ !!! esh5_open_kpoint??? -+ CALL gk_sort (xk (1:3, ik), ngm, g, ecutwfc / tpiba2, npw, igk, g2kin) -+ CALL davcio (evc, 2*nwordwfc, iunwfc, ik, - 1) -+ CALL gk_sort (xk_full_list (1:3, jks), ngm, g, ecutwfc / tpiba2, npw_sym, igk_sym, g2kin_sym) -+ if(npw .ne. npw_sym ) then -+ write(*,*) 'Warning!!!: npw != npw_sym: ',npw,npw_sym -+ endif -+ -+ if(pool_ionode) CALL esh5_open_spin(ispin) -+ -+ DO ibnd = 1, nbnd !!transform G to R -+ -+! I should be able to do the rotation directly in G space, -+! but for now I'm doing it like this -+ IF(expand_kp) then -+ psic(:)=(0.d0,0.d0) -+ psitr(:)=(0.d0,0.d0) -+ tmp_evc(:) = (0.d0,0.d0) -+ IF(nproc_pool > 1) THEN -+ ! -+ psic(nls(ig_l2g(igk(1:npw))))=evc(1:npw,ibnd) -+ -+! call errore ('pw2qmcpack','parallel version not fully implemented.',2) -+ if(gamma_only) then -+ call errore ('pw2qmcpack','problems with gamma_only, not fully implemented.',2) -+ endif -+ ! -+ CALL invfft ('Wave', psic, dffts) -+ ! -+! call cgather_smooth(psic,psitr) -+ call gather_grid(dffts,psic,psitr) -+ tmp_psic(1:nxxs) = psitr(rir(1:nxxs)) -+! call cscatter_smooth(tmp_psic,psic) -+ call scatter_grid(dffts,tmp_psic,psic) -+ ! -+ ! at this point, I have the rotated orbital in real space, might -+ ! want to keep it stored somewhere for later use if write_psir -+ ! -+ CALL fwfft ('Wave', psic, dffts) -+ ! -+ tmp_evc(1:npw_sym)=psic(nls(ig_l2g(igk_sym(1:npw_sym)))) -+ ! -+ ELSE ! nproc_pool <= 1 -+ ! -+ psic(nls(ig_l2g(igk(1:npw))))=evc(1:npw,ibnd) -+ if(gamma_only) then -+ call errore ('pw2qmcpack','problems with gamma_only, not fully implemented.',2) -+ endif -+ ! -+ CALL invfft ('Wave', psic, dffts) -+ ! -+ psitr(1:nxxs) = psic(rir(1:nxxs)) -+ ! temporary hack to see if I have problems with inversion -+ ! symmetry -+ if(isym.lt.0 .AND. iks.gt.1 .AND. abs(isym).eq.abs(sym_list(xkfull_index(basekindex,iks-1))) ) then -+ psitr(1:nxxs) = CONJG(psitr(1:nxxs)) -+ endif -+ !psitr(:) = psic(:) -+ ! -+ CALL fwfft ('Wave', psitr, dffts) -+ ! -+ tmp_evc(1:npw_sym)=psitr(nls(ig_l2g(igk_sym(1:npw_sym)))) -+ ! -+ ENDIF ! nprocpool -+ -+ !mapping is different with expand_kp, revert to the slow method -+ DO ig=1, ngtot -+ ! now for all G vectors find the PW coefficient for this k-point -+ found = .FALSE. -+ !!! MMORALES: This is very inefficient, create a mapping in the beggining from g -+ !!! to the g grid used in qmcpack, and just set to -1 the elements -+ !!! outside the cutoff -+ DO ig7 = 1, npw_sym -+ IF( ig_l2g(igk_sym(ig7)) == igtog(ig) )THEN -+ !!! FIX FIX FIX, In parallel, this is completely incorrect since each proc only -+ !has limited data, you have to do a sum reduce at the very end to the head node -+ eigpacked(ig)=tmp_evc(ig7) -+ found = .TRUE. -+ GOTO 18 -+ ENDIF -+ ENDDO ! ig7 -+ ! if can't find the coefficient this is zero -+ 18 IF( .NOT. found ) eigpacked(ig)=(0.d0,0.d0) -+ ENDDO ! ig -+ ELSE ! expandkp = false -+ ! -+ !tmp_evc(:) = evc(:,ibnd) -+ eigpacked(:)=(0.d0,0.d0) -+ eigpacked(igtomin(ig_l2g(igk(1:npw))))=evc(1:npw,ibnd) -+ ! -+ ENDIF ! expandkp -+ -+ CALL mp_sum ( eigpacked , intra_pool_comm ) -+ if(pool_ionode) CALL esh5_write_psi_g(ibnd,eigpacked,ngtot) -+ -+ IF (write_psir) THEN -+ psic(:)=(0.d0,0.d0) -+ psic(nls(ig_l2g(igk_sym(1:npw_sym))))=tmp_evc(1:npw_sym) -+ if(gamma_only) psic(nlsm(ig_l2g(igk_sym(1:npw_sym)))) = CONJG(tmp_evc(1:npw_sym)) -+ ! -+ CALL invfft ('Wave', psic, dffts) -+ ! -+ IF(nproc_pool > 1) THEN -+ ! -+ tmp_psic=psic -+! call cgather_smooth(psic,tmp_psic) -+ call gather_grid(dffts,psic,tmp_psic) -+ psiCptr => tmp_psic -+ ! -+ ELSE -+ ! -+ psiCptr => psic -+ ! -+ ENDIF -+ ! -+ IF(save_complex .eq. 1) THEN -+ ! -+ !psic(:)=psic(:)/omega -+ ii=1 -+ DO igx=1,nr1s -+ DO igy=0,nr2s-1 -+ DO igz=0,nr3s-1 -+ psitr(ii)=psiCptr(igx+nr1s*(igy+igz*nr2s))/omega -+ ii=ii+1 -+ ENDDO -+ ENDDO -+ ENDDO -+ if(pool_ionode) CALL esh5_write_psi_r(ibnd,psitr,save_complex) -+ ! -+ ELSE -+ ! -+ ii=1 -+ DO igx=1,nr1s -+ DO igy=0,nr2s-1 -+ DO igz=0,nr3s-1 -+ psireal(ii)=real(psiCptr(igx+nr1s*(igy+igz*nr2s)))/omega -+ ii=ii+1 -+ ENDDO -+ ENDDO -+ ENDDO -+ if(pool_ionode) CALL esh5_write_psi_r(ibnd,psireal,save_complex) -+ ! -+ ENDIF -+ ENDIF ! write_psir -+ !! conversion and output complete for each band -+ ENDDO ! ibnd -+ if(pool_ionode) CALL esh5_close_spin() -+! ENDDO -+ if(pool_ionode) CALL esh5_close_kpoint() -+ ENDDO ! iks -+ ENDDO ! ik -+ -+endif ! nk -+CALL stop_clock( 'big_loop' ) -+#endif -+ ! write charge density -+ ! ignore spin for the time being -+ !CALL esh5_write_rho(rho,rhog(1,1),ngm) -+ -+#if defined(__HDF5) -+ CALL start_clock( 'write_h5' ) -+ if(ionode) then -+ CALL esh5_open_density(gint_den,ngm_g,nr1s,nr2s,nr3s) -+ DO ispin = 1, nspin -+ CALL esh5_write_density_g(ispin,den_g_global(1,ispin)) -+ ENDDO -+ CALL esh5_close_density() -+ endif -+ -+ if(pool_ionode) CALL esh5_close_electrons() -+ if(pool_ionode) CALL esh5_close_file() -+ -+ CALL mp_barrier( intra_image_comm ) -+ CALL stop_clock( 'write_h5' ) -+! glue h5 together -+ CALL start_clock( 'glue_h5' ) -+ if(ionode) then -+ if(npool>1) then -+ h5name = TRIM( prefix ) // '.pwscf.h5' -+ tmp = TRIM( tmp_dir )//TRIM( h5name ) -+ h5len = LEN_TRIM(tmp) -+ call esh5_join_all(tmp,h5len,npool) -+ endif -+ endif -+ CALL stop_clock( 'glue_h5' ) -+#endif -+ -+ IF( ALLOCATED(igtog) ) DEALLOCATE (igtog) -+ IF( ALLOCATED(igtomin) ) DEALLOCATE (igtomin) -+ IF( ALLOCATED(indx) ) DEALLOCATE (indx) -+ IF( ALLOCATED(eigpacked) ) DEALLOCATE (eigpacked) -+ !IF( ALLOCATED(g_qmc) ) DEALLOCATE (g_qmc) -+ !IF( ALLOCATED(g_cart) ) DEALLOCATE (g_cart) -+ IF( ALLOCATED(psireal) ) DEALLOCATE (psireal) -+ IF( ALLOCATED(psitr) ) DEALLOCATE (psitr) -+ IF( ALLOCATED(tmp_psic) ) DEALLOCATE (tmp_psic) -+ IF( ALLOCATED(num_irrep) ) DEALLOCATE (num_irrep) -+ IF( ALLOCATED(xkfull_index) ) DEALLOCATE (xkfull_index) -+ IF( ALLOCATED(sym_list) ) DEALLOCATE (sym_list) -+ IF( ALLOCATED(xk_full_list) ) DEALLOCATE (xk_full_list) -+ IF( ALLOCATED(rir) ) DEALLOCATE (rir) -+ IF( ALLOCATED(igk_sym) ) DEALLOCATE (igk_sym) -+ IF( ALLOCATED(g2kin_sym) ) DEALLOCATE (g2kin_sym) -+ !DEALLOCATE (phase) -+ -+ CONTAINS -+ -+ SUBROUTINE generate_symmetry_equivalent_list() -+ ! -+ ! Code taken mostly from PW/exx.f90 -+ ! -+ !------------------------------------------------------------------------ -+ ! -+ USE kinds, ONLY: DP -+ USE cell_base, ONLY : at -+ USE lsda_mod, ONLY : nspin -+ USE klist, ONLY : xk -+ USE io_global, ONLY : stdout, ionode -+ ! -+ USE klist, ONLY : nkstot -+ USE io_global, ONLY : stdout -+ USE wvfct, ONLY : nbnd, npwx, npw, igk, wg, et -+ USE klist, ONLY : wk, ngk, nks -+ USE symm_base, ONLY : nsym, s, ftau -+ USE lsda_mod, ONLY: lsda -+ use fft_base, ONLY : dffts -+! use fft_interfaces, ONLY : invfft -+ -+ ! -+ IMPLICIT NONE -+ ! -+ integer :: is, ik, ikq, iq, ns , nktot -+ logical :: xk_not_found -+ real (DP) :: sxk(3), dxk(3), xk_cryst(3), xkk_cryst(3) -+ logical :: exst -+ REAL (DP) :: eps =1.d-8 -+ -+ ! -+ ! find all k-points equivalent by symmetry to the points in the k-list -+ ! -+ -+ if(lsda)then -+ nktot=nkstot/2 -+ else -+ nktot=nkstot -+ endif -+ -+ nkfull = 0 -+ do ik =1, nktot -+ ! -+ num_irrep(ik) = 0 -+ ! -+ ! isym=1 is the identity -+ do is=1,nsym -+ xk_cryst(:) = at(1,:)*xk(1,ik) + at(2,:)*xk(2,ik) + at(3,:)*xk(3,ik) -+ sxk(:) = s(:,1,is)*xk_cryst(1) + & -+ s(:,2,is)*xk_cryst(2) + & -+ s(:,3,is)*xk_cryst(3) -+ ! add sxk to the auxiliary list if it is not already present -+ xk_not_found = .true. -+ do ikq=1, nkfull -+ if (xk_not_found ) then -+ dxk(:) = sxk(:)-xk_full_list(:,ikq) - nint(sxk(:)-xk_full_list(:,ikq)) -+ if ( abs(dxk(1)).le.eps .and. & -+ abs(dxk(2)).le.eps .and. & -+ abs(dxk(3)).le.eps ) xk_not_found = .false. -+ end if -+ end do -+ if (xk_not_found) then -+ nkfull = nkfull + 1 -+ num_irrep(ik) = num_irrep(ik) + 1 -+ xkfull_index(ik,num_irrep(ik)) = nkfull -+ xk_full_list(:,nkfull) = sxk(:) -+ sym_list(nkfull) = is -+ end if -+ -+ sxk(:) = - sxk(:) -+ xk_not_found = .true. -+ do ikq=1, nkfull -+ if (xk_not_found ) then -+ dxk(:) = sxk(:)-xk_full_list(:,ikq) - nint(sxk(:)-xk_full_list(:,ikq)) -+ if ( abs(dxk(1)).le.eps .and. & -+ abs(dxk(2)).le.eps .and. & -+ abs(dxk(3)).le.eps ) xk_not_found = .false. -+ end if -+ end do -+ if (xk_not_found) then -+ nkfull = nkfull + 1 -+ num_irrep(ik) = num_irrep(ik) + 1 -+ xkfull_index(ik,num_irrep(ik)) = nkfull -+ xk_full_list(:,nkfull) = sxk(:) -+ sym_list(nkfull) = -is -+ end if -+ -+ end do -+ end do -+ ! -+ ! transform kp list to cartesian again -+ do ik=1,nkfull -+ dxk(:) = bg(:,1)*xk_full_list(1,ik) + & -+ bg(:,2)*xk_full_list(2,ik) + & -+ bg(:,3)*xk_full_list(3,ik) -+ xk_full_list(:,ik) = dxk(:) -+ enddo -+ ! -+! if(ionode) then -+! print *,'Symmetry Inequivalent list of k-points:' -+! print *,'Total number: ',nkstot -+! do ik =1, nkstot -+! WRITE(*,'(i6,3(1x,f20.15))') ik, xk(1:3,ik) -+! enddo -+! print *,'Full list of k-points (crystal):' -+! print *,'Total number of k-points: ',nkfull -+! print *,'IRREP, N, SYM-ID, KP: ' -+! do ik =1, nkstot -+! do ns=1,num_irrep(ik) -+! WRITE(*,'(i6,i6,i6,3(1x,f20.15))') ik,ns,sym_list(xkfull_index(ik,ns)) & -+! ,xk_full_list(1:3,xkfull_index(ik,ns)) -+! enddo -+! enddo -+! endif -+ ! -+ ! check symm operations -+ ! -+! do ikq =1,nkfull -+! is = abs(sym_list(ikq)) -+! if ( mod (s (2, 1, is) * dffts%nr1, dffts%nr2) .ne.0 .or. & -+! mod (s (3, 1, is) * dffts%nr1, dffts%nr3) .ne.0 .or. & -+! mod (s (1, 2, is) * dffts%nr2, dffts%nr1) .ne.0 .or. & -+! mod (s (3, 2, is) * dffts%nr2, dffts%nr3) .ne.0 .or. & -+! mod (s (1, 3, is) * dffts%nr3, dffts%nr1) .ne.0 .or. & -+! mod (s (2, 3, is) * dffts%nr3, dffts%nr2) .ne.0 ) then -+! call errore ('generate_symmetry_equivalent_list',' problems with grid',is) -+! end if -+! end do -+ -+ END SUBROUTINE generate_symmetry_equivalent_list -+ ! -+ SUBROUTINE generate_symmetry_rotation(is0) -+ USE kinds, ONLY: DP -+ USE klist, ONLY : xk -+ USE io_global, ONLY : stdout, ionode -+ ! -+ USE io_global, ONLY : stdout -+ USE symm_base, ONLY : nsym, s, ftau -+ use fft_base, ONLY : dffts -+ -+ ! -+ IMPLICIT NONE -+ ! -+ integer, intent(in) :: is0 -+ ! -+ integer :: i,j,k, ir, ri, rj, rk, is -+ logical :: exst -+ REAL (DP) :: eps =1.d-6 -+ -+ ! -+ do ir=1, nxxs -+ rir(ir) = ir -+ end do -+ is = abs(is0) -+ do k = 1, dffts%nr3 -+ do j = 1, dffts%nr2 -+ do i = 1, dffts%nr1 -+ call ruotaijk (s(1,1,is), ftau(1,is), i, j, k, & -+ dffts%nr1,dffts%nr2,dffts%nr3, ri, rj , rk ) -+ ir = i + ( j-1)*dffts%nr1x + ( k-1)*dffts%nr1x*dffts%nr2x -+ rir(ir) = ri + (rj-1)*dffts%nr1x + (rk-1)*dffts%nr1x*dffts%nr2x -+ end do -+ end do -+ end do -+ ! -+ END SUBROUTINE generate_symmetry_rotation -+ ! -+END SUBROUTINE compute_qmcpack -diff -urN espresso-5.3.0-orig/PW/src/make.depend espresso-5.3.0-new/PW/src/make.depend ---- espresso-5.3.0-orig/PW/src/make.depend 2016-01-09 02:24:10.000000000 -0600 -+++ espresso-5.3.0-new/PW/src/make.depend 2016-08-29 20:40:24.145152773 -0500 -@@ -1445,6 +1445,37 @@ - read_file.o : realus.o - read_file.o : scf_mod.o - read_file.o : symm_base.o -+read_file_lite.o : ../../FFTXlib/fft_interfaces.o -+read_file_lite.o : ../../Modules/cell_base.o -+read_file_lite.o : ../../Modules/constants.o -+read_file_lite.o : ../../Modules/control_flags.o -+read_file_lite.o : ../../Modules/fft_base.o -+read_file_lite.o : ../../Modules/funct.o -+read_file_lite.o : ../../Modules/griddim.o -+read_file_lite.o : ../../Modules/io_files.o -+read_file_lite.o : ../../Modules/io_global.o -+read_file_lite.o : ../../Modules/ions_base.o -+read_file_lite.o : ../../Modules/kernel_table.o -+read_file_lite.o : ../../Modules/kind.o -+read_file_lite.o : ../../Modules/noncol.o -+read_file_lite.o : ../../Modules/paw_variables.o -+read_file_lite.o : ../../Modules/read_pseudo.o -+read_file_lite.o : ../../Modules/recvec.o -+read_file_lite.o : ../../Modules/recvec_subs.o -+read_file_lite.o : ../../Modules/uspp.o -+read_file_lite.o : ../../Modules/wavefunctions.o -+read_file_lite.o : ../../Modules/xml_io_base.o -+read_file_lite.o : buffers.o -+read_file_lite.o : esm.o -+read_file_lite.o : ldaU.o -+read_file_lite.o : newd.o -+read_file_lite.o : paw_init.o -+read_file_lite.o : paw_onecenter.o -+read_file_lite.o : pw_restart.o -+read_file_lite.o : pwcom.o -+read_file_lite.o : realus.o -+read_file_lite.o : scf_mod.o -+read_file_lite.o : symm_base.o - realus.o : ../../FFTXlib/fft_interfaces.o - realus.o : ../../FFTXlib/fft_parallel.o - realus.o : ../../FFTXlib/fft_types.o -diff -urN espresso-5.3.0-orig/PW/src/Makefile espresso-5.3.0-new/PW/src/Makefile ---- espresso-5.3.0-orig/PW/src/Makefile 2016-01-09 02:24:10.000000000 -0600 -+++ espresso-5.3.0-new/PW/src/Makefile 2016-08-29 20:13:54.921433117 -0500 -@@ -172,6 +172,7 @@ - rdiaghg.o \ - read_conf_from_file.o \ - read_file.o \ -+read_file_lite.o \ - regterg.o \ - remove_atomic_rho.o \ - report_mag.o \ -diff -urN espresso-5.3.0-orig/PW/src/read_file_lite.f90 espresso-5.3.0-new/PW/src/read_file_lite.f90 ---- espresso-5.3.0-orig/PW/src/read_file_lite.f90 1969-12-31 18:00:00.000000000 -0600 -+++ espresso-5.3.0-new/PW/src/read_file_lite.f90 2016-08-29 20:13:54.921433117 -0500 -@@ -0,0 +1,370 @@ -+! -+! Copyright (C) 2001-2012 Quantum ESPRESSO group -+! This file is distributed under the terms of the -+! GNU General Public License. See the file `License' -+! in the root directory of the present distribution, -+! or http://www.gnu.org/copyleft/gpl.txt . -+! -+!---------------------------------------------------------------------------- -+SUBROUTINE read_file_lite() -+ !---------------------------------------------------------------------------- -+ ! -+ ! Wrapper routine, for compatibility -+ ! -+ USE io_files, ONLY : nwordwfc, iunwfc, prefix, tmp_dir, wfc_dir -+ USE io_global, ONLY : stdout, ionode -+ USE buffers, ONLY : open_buffer, close_buffer -+ USE wvfct, ONLY : nbnd, npwx -+ USE noncollin_module, ONLY : npol -+ USE klist, ONLY : nks -+ USE paw_variables, ONLY : okpaw, ddd_PAW -+ USE paw_onecenter, ONLY : paw_potential -+ USE uspp, ONLY : becsum -+ USE scf, ONLY : rho -+ USE realus, ONLY : betapointlist, & -+ init_realspace_vars,real_space -+ USE dfunct, ONLY : newd -+ USE ldaU, ONLY : lda_plus_u, U_projection -+ USE pw_restart, ONLY : pw_readfile -+ USE control_flags, ONLY : io_level -+ ! -+ IMPLICIT NONE -+ INTEGER :: ierr -+ LOGICAL :: exst -+ ! -+ ! ... Read the contents of the xml data file -+ ! -+ IF ( ionode ) WRITE( stdout, '(/,5x,A,/,5x,A)') & -+ 'Reading data from directory:', TRIM( tmp_dir ) // TRIM( prefix ) // '.save' -+ ! -+ CALL read_xml_file ( ) -+ ! -+ ! ... Open unit iunwfc, for Kohn-Sham orbitals - we assume that wfcs -+ ! ... have been written to tmp_dir, not to a different directory! -+ ! ... io_level = 1 so that a real file is opened -+ ! -+ wfc_dir = tmp_dir -+ nwordwfc = nbnd*npwx*npol -+ io_level = 1 -+ CALL open_buffer ( iunwfc, 'wfc', nwordwfc, io_level, exst ) -+ ! -+ ! ... Read orbitals, write them in 'distributed' form to iunwfc -+ ! -+ CALL pw_readfile( 'wave', ierr ) -+ ! -+ ! ... Assorted initialization: pseudopotentials, PAW -+ ! ... Not sure which ones (if any) should be done here -+ ! -+ CALL init_us_1() -+ ! -+ IF (lda_plus_u .AND. (U_projection == 'pseudo')) CALL init_q_aeps() -+ ! -+ IF (okpaw) THEN -+ becsum = rho%bec -+ CALL PAW_potential(rho%bec, ddd_PAW) -+ ENDIF -+ ! -+ IF ( real_space ) THEN -+ CALL betapointlist() -+ CALL init_realspace_vars() -+ IF( ionode ) WRITE(stdout,'(5x,"Real space initialisation completed")') -+ ENDIF -+ CALL newd() -+ ! -+ CALL close_buffer ( iunwfc, 'KEEP' ) -+ ! -+END SUBROUTINE read_file_lite -+! -+SUBROUTINE read_xml_file() -+ ! wrapper routine to call the default behavior -+ call read_xml_file_internal(.true.) -+END SUBROUTINE read_xml_file -+ -+SUBROUTINE read_xml_file_nobs() -+ ! wrapper routine to load everything except for the band structure -+ call read_xml_file_internal(.false.) -+END SUBROUTINE read_xml_file_nobs -+ -+!---------------------------------------------------------------------------- -+SUBROUTINE read_xml_file_internal(withbs) -+ !---------------------------------------------------------------------------- -+ ! -+ ! ... This routine allocates space for all quantities already computed -+ ! ... in the pwscf program and reads them from the data file. -+ ! ... All quantities that are initialized in subroutine "setup" when -+ ! ... starting from scratch should be initialized here when restarting -+ ! -+ USE kinds, ONLY : DP -+ USE ions_base, ONLY : nat, nsp, ityp, tau, if_pos, extfor -+ USE cell_base, ONLY : tpiba2, alat,omega, at, bg, ibrav -+ USE force_mod, ONLY : force -+ USE klist, ONLY : nkstot, nks, xk, wk -+ USE lsda_mod, ONLY : lsda, nspin, current_spin, isk -+ USE wvfct, ONLY : nbnd, nbndx, et, wg, ecutwfc -+ USE symm_base, ONLY : irt, d1, d2, d3, checkallsym -+ USE ktetra, ONLY : tetra, ntetra -+ USE extfield, ONLY : forcefield, tefield -+ USE cellmd, ONLY : cell_factor, lmovecell -+ USE fft_base, ONLY : dfftp -+ USE fft_interfaces, ONLY : fwfft -+ USE grid_subroutines, ONLY : realspace_grid_init -+ USE recvec_subs, ONLY : ggen -+ USE gvect, ONLY : gg, ngm, g, gcutm, & -+ eigts1, eigts2, eigts3, nl, gstart -+ USE fft_base, ONLY : dfftp, dffts -+ USE gvecs, ONLY : ngms, nls, gcutms -+ USE spin_orb, ONLY : lspinorb, domag -+ USE scf, ONLY : rho, rho_core, rhog_core, v -+ USE wavefunctions_module, ONLY : psic -+ USE vlocal, ONLY : strf -+ USE io_files, ONLY : tmp_dir, prefix, iunpun, nwordwfc, iunwfc -+ USE noncollin_module, ONLY : noncolin, npol, nspin_lsda, nspin_mag, nspin_gga -+ USE pw_restart, ONLY : pw_readfile -+ USE read_pseudo_mod, ONLY : readpp -+ USE xml_io_base, ONLY : pp_check_file -+ USE uspp, ONLY : becsum -+ USE uspp_param, ONLY : upf -+ USE paw_variables, ONLY : okpaw, ddd_PAW -+ USE paw_init, ONLY : paw_init_onecenter, allocate_paw_internals -+ USE ldaU, ONLY : lda_plus_u, eth, init_lda_plus_u -+ USE control_flags, ONLY : gamma_only -+ USE funct, ONLY : get_inlc, get_dft_name -+ USE kernel_table, ONLY : initialize_kernel_table -+ USE esm, ONLY : do_comp_esm, esm_init -+ ! -+ IMPLICIT NONE -+ -+ ! Used to specify whether to read the band structure (files -+ ! K??????/eigenval.xml), so one can skip it if not needed by -+ ! the post-processing tool. -+ ! Set to True for the 'default' behavior of reading these files. -+ LOGICAL :: withbs -+ -+ INTEGER :: i, is, ik, ibnd, nb, nt, ios, isym, ierr, inlc -+ REAL(DP) :: rdum(1,1), ehart, etxc, vtxc, etotefield, charge -+ REAL(DP) :: sr(3,3,48) -+ CHARACTER(LEN=20) dft_name -+ ! -+ ! ... first we get the version of the qexml file -+ ! if not already read -+ ! -+ CALL pw_readfile( 'header', ierr ) -+ CALL errore( 'read_xml_file ', 'unable to determine qexml version', ABS(ierr) ) -+ ! -+ ! ... then we check if the file can be used for post-processing -+ ! -+ IF ( .NOT. pp_check_file() ) CALL infomsg( 'read_xml_file', & -+ & 'file ' // TRIM( tmp_dir ) // TRIM( prefix ) & -+ & // '.save not guaranteed to be safe for post-processing' ) -+ ! -+ ! ... a reset of the internal flags is necessary because some codes call -+ ! ... read_xml_file() more than once -+ ! -+ CALL pw_readfile( 'reset', ierr ) -+ ! -+ ! ... here we read the variables that dimension the system -+ ! ... in parallel execution, only root proc reads the file -+ ! ... and then broadcasts the values to all other procs -+ ! -+ CALL pw_readfile( 'dim', ierr ) -+ CALL errore( 'read_xml_file ', 'problem reading file ' // & -+ & TRIM( tmp_dir ) // TRIM( prefix ) // '.save', ierr ) -+ ! -+ ! ... allocate space for atomic positions, symmetries, forces, tetrahedra -+ ! -+ IF ( nat < 0 ) CALL errore( 'read_xml_file', 'wrong number of atoms', 1 ) -+ ! -+ ! ... allocation -+ ! -+ ALLOCATE( ityp( nat ) ) -+ ALLOCATE( tau( 3, nat ) ) -+ ALLOCATE( if_pos( 3, nat ) ) -+ ALLOCATE( force( 3, nat ) ) -+ ALLOCATE( extfor( 3, nat ) ) -+ ! -+ IF ( tefield ) ALLOCATE( forcefield( 3, nat ) ) -+ ! -+ ALLOCATE( irt( 48, nat ) ) -+ ALLOCATE( tetra( 4, MAX( ntetra, 1 ) ) ) -+ ! -+ CALL set_dimensions() -+ CALL realspace_grid_init ( dfftp, at, bg, gcutm ) -+ CALL realspace_grid_init ( dffts, at, bg, gcutms) -+ ! -+ ! ... check whether LSDA -+ ! -+ IF ( lsda ) THEN -+ ! -+ nspin = 2 -+ npol = 1 -+ ! -+ ELSE IF ( noncolin ) THEN -+ ! -+ nspin = 4 -+ npol = 2 -+ current_spin = 1 -+ ! -+ ELSE -+ ! -+ nspin = 1 -+ npol = 1 -+ current_spin = 1 -+ ! -+ END IF -+ ! -+ if (cell_factor == 0.d0) cell_factor = 1.D0 -+ ! -+ ! ... allocate memory for eigenvalues and weights (read from file) -+ ! -+ nbndx = nbnd -+ ALLOCATE( et( nbnd, nkstot ) , wg( nbnd, nkstot ) ) -+ ! -+ ! ... here we read all the variables defining the system -+ ! -+ if (withbs .eqv. .true.) then -+ CALL pw_readfile( 'nowave', ierr ) -+ else -+ CALL pw_readfile( 'nowavenobs', ierr ) -+ end if -+ ! -+ ! ... distribute across pools k-points and related variables. -+ ! ... nks is defined by the following routine as the number -+ ! ... of k-points in the current pool -+ ! -+ CALL divide_et_impera( xk, wk, isk, lsda, nkstot, nks ) -+ ! -+ CALL poolscatter( nbnd, nkstot, et, nks, et ) -+ CALL poolscatter( nbnd, nkstot, wg, nks, wg ) -+ ! -+ ! ... check on symmetry -+ ! -+ IF (nat > 0) CALL checkallsym( nat, tau, ityp, dfftp%nr1, dfftp%nr2, dfftp%nr3 ) -+ ! -+ ! Set the different spin indices -+ ! -+ nspin_mag = nspin -+ nspin_lsda = nspin -+ nspin_gga = nspin -+ IF (nspin==4) THEN -+ nspin_lsda=1 -+ IF (domag) THEN -+ nspin_gga=2 -+ ELSE -+ nspin_gga=1 -+ nspin_mag=1 -+ ENDIF -+ ENDIF -+ ! -+ ! ... read pseudopotentials -+ ! -+ CALL pw_readfile( 'pseudo', ierr ) -+ dft_name = get_dft_name () ! already set, should not be set again -+ CALL readpp ( dft_name ) -+ ! -+ ! ... read the vdw kernel table if needed -+ ! -+ inlc = get_inlc() -+ if (inlc > 0 ) then -+ call initialize_kernel_table(inlc) -+ endif -+ ! -+ okpaw = ANY ( upf(1:nsp)%tpawp ) -+ ! -+ IF ( .NOT. lspinorb ) CALL average_pp ( nsp ) -+ ! -+ ! ... allocate memory for G- and R-space fft arrays -+ ! -+ CALL pre_init() -+ CALL allocate_fft() -+ CALL ggen ( gamma_only, at, bg ) -+ IF (do_comp_esm) THEN -+ CALL pw_readfile( 'esm', ierr ) -+ CALL esm_init() -+ END IF -+ -+ CALL gshells ( lmovecell ) -+ ! -+ ! ... allocate the potential and wavefunctions -+ ! -+ CALL allocate_locpot() -+ CALL allocate_nlpot() -+ IF (okpaw) THEN -+ CALL allocate_paw_internals() -+ CALL paw_init_onecenter() -+ CALL d_matrix(d1,d2,d3) -+ ENDIF -+ ! -+ IF ( lda_plus_u ) THEN -+ CALL init_lda_plus_u ( upf(1:nsp)%psd, noncolin ) -+ ENDIF -+ ! -+ CALL allocate_wfc() -+ ! -+ ! ... read the charge density -+ ! -+ CALL pw_readfile( 'rho', ierr ) -+ ! -+ ! ... re-calculate the local part of the pseudopotential vltot -+ ! ... and the core correction charge (if any) - This is done here -+ ! ... for compatibility with the previous version of read_file -+ ! -+!LITE CALL init_vloc() -+!LITE CALL struc_fact( nat, tau, nsp, ityp, ngm, g, bg, dfftp%nr1, dfftp%nr2, & -+!LITE dfftp%nr3, strf, eigts1, eigts2, eigts3 ) -+!LITE CALL setlocal() -+!LITE CALL set_rhoc() -+ ! -+ ! ... bring rho to G-space -+ ! -+ DO is = 1, nspin -+ ! -+ psic(:) = rho%of_r(:,is) -+ CALL fwfft ('Dense', psic, dfftp) -+ rho%of_g(:,is) = psic(nl(:)) -+ ! -+ END DO -+ ! -+ ! ... read info needed for hybrid functionals -+ ! -+ CALL pw_readfile('exx', ierr) -+ ! -+ ! ... recalculate the potential -+ ! -+!LITE CALL v_of_rho( rho, rho_core, rhog_core, & -+!LITE ehart, etxc, vtxc, eth, etotefield, charge, v ) -+ ! -+ RETURN -+ ! -+ CONTAINS -+ ! -+ !------------------------------------------------------------------------ -+ SUBROUTINE set_dimensions() -+ !------------------------------------------------------------------------ -+ ! -+ USE constants, ONLY : pi -+ USE cell_base, ONLY : alat, tpiba, tpiba2 -+ USE gvect, ONLY : ecutrho, gcutm -+ USE wvfct, ONLY : ecutwfc -+ USE gvecs, ONLY : gcutms, dual, doublegrid -+ ! -+ ! -+ ! ... Set the units in real and reciprocal space -+ ! -+ tpiba = 2.D0 * pi / alat -+ tpiba2 = tpiba**2 -+ ! -+ ! ... Compute the cut-off of the G vectors -+ ! -+ gcutm = dual * ecutwfc / tpiba2 -+ ecutrho=dual * ecutwfc -+ ! -+ doublegrid = ( dual > 4.D0 ) -+ IF ( doublegrid ) THEN -+ gcutms = 4.D0 * ecutwfc / tpiba2 -+ ELSE -+ gcutms = gcutm -+ END IF -+ ! -+ END SUBROUTINE set_dimensions -+ ! -+ END SUBROUTINE read_xml_file_internal diff --git a/external_codes/quantum_espresso/add_pw2qmcpack_to_qe-6.2.1.diff b/external_codes/quantum_espresso/add_pw2qmcpack_to_qe-6.2.1.diff deleted file mode 100644 index 4c5d5d2faa..0000000000 --- a/external_codes/quantum_espresso/add_pw2qmcpack_to_qe-6.2.1.diff +++ /dev/null @@ -1,2403 +0,0 @@ -diff -W 205 -urN qe-6.2.1_original/clib/esh5_interfaces.c qe-6.2.1_updated/clib/esh5_interfaces.c ---- qe-6.2.1_original/clib/esh5_interfaces.c 1969-12-31 18:00:00.000000000 -0600 -+++ qe-6.2.1_updated/clib/esh5_interfaces.c 2018-04-25 13:54:45.809746856 -0500 -@@ -0,0 +1,962 @@ -+/* -+ * Copyright (C) 2004 PWSCF group -+ * Copyright (C) 2007 QMCPACK developers -+ * -+ * @author Jeongnim Kim http://www.mcc.uiuc.edu/qmcpack/ -+ * @brief Implements generic hdf5 interfaces for plane wave codes and qmcpack -+ * -+ * - esh5_open_file: open hdf5 file -+ * - esh5_close_file : close hdf5 file -+ * - esh5_open_eigg : open eigenstates -+ * - esh5_close_eigg : close eigenstates -+ * - esh5_open_eigr : open eigenstates_nx_ny_nz -+ * - esh5_close_eigr : close eigenstates_nx_ny_nz -+ * -+ */ -+ -+#if defined(__HDF5) || defined(__HDF5_C) -+ -+#include -+#include -+#include -+#include -+#include -+#include -+#include -+#include "hdf5.h" -+#include "hdf5_hl.h" -+ -+#define F77_FUNC_(name,NAME) name ## _ -+ -+/* file handler */ -+static hid_t h_file=-1; -+/* handler for electrons or atoms*/ -+static hid_t h_ptcls=-1; -+/* kpoint handler */ -+static hid_t h_kpoint=-1; -+/* spin handler */ -+static hid_t h_spin=-1; -+/* density handler */ -+static hid_t h_density=-1; -+/* number of fft grid */ -+static int num_grid[3]; -+/* number of real-space grids */ -+static int h_ngridtot=0; -+/* check for gamma */ -+static int is_gamma=0; -+/* number of atoms */ -+static int num_atoms=0; -+/* number of atom species */ -+static int num_species=0; -+/* number of electrons */ -+static int num_els[2]; -+/* number of spin channels */ -+static int num_spins=1; -+/* number of kpoints */ -+static int num_kpoints=1; -+/* number of bands */ -+static int num_bands=0; -+/* number of gvectors */ -+static int num_gvectors=0; -+/* number of gvectors */ -+static int num_gvectors_max=0; -+/* igmapped */ -+static int *igmapped=0; -+/* current k-point */ -+static int kpoint_now=-1; -+/* is complex orbital */ -+static int psi_r_is_complex=1; -+/* append data */ -+static int append_h5=0; -+static int iteration=0; -+static H5E_auto_t err_func; -+static void *client_data=0; -+ -+ -+/** create a file and write version & application -+ * @param fname name of the output file -+ * @param length size of the file name -+ * -+ * h_file is initialized. -+ */ -+void F77_FUNC_(esh5_open_file,ESH5_OPEN_FILE)(const char* fname, const int* length, int* old) -+{ -+ H5Eget_auto (&err_func, &client_data); -+ H5Eset_auto (NULL, NULL); -+ -+ append_h5=*old; -+ -+ char * hfname = ( char * ) malloc( (*length) + 1 ) ; -+ memcpy( hfname , fname , *length ) ; -+ hfname[*length] = '\0' ; -+ -+ if(h_file>=0) H5Fclose(h_file); -+ h_file = H5Fopen(hfname,H5F_ACC_RDWR,H5P_DEFAULT); -+ if(h_file>=0) -+ { -+ // always delete the already existing file. -+ printf("esh5 destory the existing %s\n",hfname); -+ remove(hfname); -+ h_file=-1; -+ } -+ //if((append_h5)||(iteration)) -+ //{ -+ // printf("esh5 open existing %s\n",hfname); -+ // h_file = H5Fopen(hfname,H5F_ACC_RDWR,H5P_DEFAULT); -+ //} -+ if(h_file<0) -+ { -+ printf("esh5 create %s\n",hfname); -+ h_file = H5Fcreate(hfname,H5F_ACC_TRUNC,H5P_DEFAULT,H5P_DEFAULT); -+ /* impelements version 1.00 hdf5 format */ -+ int version[]={2,1,0}; -+ hsize_t dim=3; -+ herr_t ret=H5LTmake_dataset(h_file,"version",1,&dim,H5T_NATIVE_INT,version); -+ hsize_t ns=1; -+ { -+ hid_t strtype = H5Tcopy (H5T_C_S1); -+ ret = H5Tset_size (strtype, 7); /* create string of length 5 */ -+ ret=H5LTmake_dataset(h_file,"format",1,&ns,strtype,"ES-HDF"); -+ } -+ -+ hid_t h_app = H5Gcreate(h_file,"application",0); -+ { -+ hid_t strtype = H5Tcopy (H5T_C_S1); -+ ret = H5Tset_size (strtype, 8); /* create string of length 5 */ -+ ret=H5LTmake_dataset(h_app,"code",1,&ns,strtype,"espresso"); -+ } -+ version[0]=4; -+ version[2]=4; -+ ret=H5LTmake_dataset(h_app,"version",1,&dim,H5T_NATIVE_INT,version); -+ H5Gclose(h_app); -+ } -+ free(hfname); -+// iteration = iteration+1; -+} -+ -+void F77_FUNC_(esh5_close_file,ESH5_CLOSE_FILE)() -+{ -+ if(h_file>=0) H5Fclose(h_file); -+ h_file=-1; -+ H5Eset_auto (err_func, client_data); -+ -+ //clear the gmap -+ if(num_gvectors_max) free(igmapped); -+} -+ -+/** create electrons and create sub groups -+ * @param nels_up -+ * @param nels_down -+ * @param nspins number_of_spins -+ * @param nkpts number_of_kpoints -+ * @param nband number of electron states -+ * @param ngr 3D mesh -+ */ -+void F77_FUNC_(esh5_open_electrons,ESH5_OPEN_ELECTRONS) -+ ( const int* nels_up, const int* nels_down , const int* nspins -+ , const int* nkpts ,const int *nband , const int* ngr -+ ) -+{ -+ //save the values -+ num_els[0]=*nels_up; -+ num_els[1]=*nels_down; -+ num_spins=*nspins; -+ num_grid[0]=ngr[0]; -+ num_grid[1]=ngr[1]; -+ num_grid[2]=ngr[2]; -+ num_bands=*nband; -+ num_kpoints = *nkpts; -+ -+ h_ptcls = H5Gopen(h_file,"electrons"); -+ if(h_ptcls<0) -+ { -+// printf("Creating electrons\n"); -+ h_ptcls = H5Gcreate(h_file,"electrons",0); -+ -+ //save the number of up and down electrons -+ const hsize_t dim1=1; -+ const hsize_t dim2=2; -+ const hsize_t dim3=3; -+ herr_t ret=H5LTmake_dataset(h_ptcls,"number_of_electrons",1,&dim2,H5T_NATIVE_INT,num_els); -+ ret=H5LTmake_dataset(h_ptcls,"number_of_spins",1,&dim1,H5T_NATIVE_INT,nspins); -+ ret=H5LTmake_dataset(h_ptcls,"number_of_kpoints",1,&dim1,H5T_NATIVE_INT,nkpts); -+ //20110515 psi_r_mesh is used specially -+ //ret=H5LTmake_dataset(h_ptcls,"psi_r_mesh",1,&dim3,H5T_NATIVE_INT,ngr); -+ //ret=H5LTmake_dataset(h_ptcls,"psi_r_is_complex",1,&dim1,H5T_NATIVE_INT,is_complex); -+ -+ //create kpoint/spin/state groups -+// for(int ik=0; ik<*nkpts; ++ik) -+// { -+// char twistname[16]; -+// sprintf(twistname,"kpoint_%i",ik + *kstart); -+// hid_t h1 = H5Gcreate(h_ptcls,twistname,0); -+// for(int ispin=0; ispin= 0); -+} -+///* close kpoint */ -+void F77_FUNC_(esh5_close_kpoint,ESH5_CLOSE_KPOINT)() -+{ -+ H5Gclose(h_kpoint); -+} -+ -+ -+/* write kpoint data */ -+void F77_FUNC_(esh5_write_kpoint_data,ESH5_WRITE_KPOINT_DATA) -+(const double* xk, const double* wgt, const int* ngk_g, const int* irrep, const int* nrelated) -+// (const double* xk, const double* wgt, const int* ngk_g, const hsize_t* gints) -+{ -+ hsize_t dim3=3; -+ hsize_t dim1=1; -+ hsize_t dim_g[2]; -+ dim_g[0] = *ngk_g; -+ dim_g[1] = 3; -+ -+ herr_t ret=H5LTmake_dataset(h_kpoint,"reduced_k",1,&dim3,H5T_NATIVE_DOUBLE,xk); -+ ret=H5LTmake_dataset(h_kpoint,"weight",1,&dim1,H5T_NATIVE_DOUBLE,wgt); -+ ret=H5LTmake_dataset(h_kpoint,"symgroup",1,&dim1,H5T_NATIVE_INT,irrep); -+ ret=H5LTmake_dataset(h_kpoint,"numsym",1,&dim1,H5T_NATIVE_INT,nrelated); -+//DO NOT WRITE THESE YET: 20110515 -+//20110515 ret=H5LTmake_dataset(h_kpoint,"number_of_gvectors",1,&dim1,H5T_NATIVE_INT,ngk_g); -+//20110515 ret=H5LTmake_dataset(h_kpoint,"gvectors",2,dim_g,H5T_NATIVE_INT, gints); -+} -+ -+/** open spin -+ * @param ispin the sin index -+ */ -+void F77_FUNC_(esh5_open_spin,ESH5_OPEN_SPIN)(const int* ispin) -+{ -+ char sname[32]; -+ sprintf(sname,"spin_%i",(*ispin)-1); -+ h_spin=H5Gopen(h_kpoint,sname); -+ if (h_spin < 0) { -+// fprintf (stderr, "Creating %s\n", sname); -+ h_spin=H5Gcreate(h_kpoint,sname,0); -+ for(int ib=0; ib= 0); -+} -+ -+/* close kpoint */ -+void F77_FUNC_(esh5_close_spin,ESH5_CLOSE_SPIN)() -+{ -+ H5Gclose(h_spin); -+} -+ -+ -+/* write eigen values -+ * @param ispin spin index -+ * @param eigval eigen values -+ * @param nband number of bans -+ */ -+void F77_FUNC_(esh5_write_eigvalues,ESH5_WRITE_EIGVALUES)(const double* eigval) -+{ -+ hsize_t dim3=(hsize_t)num_bands; -+ herr_t ret=H5LTmake_dataset(h_spin,"eigenvalues",1,&dim3,H5T_NATIVE_DOUBLE,eigval); -+ H5Fflush(h_spin,H5F_SCOPE_GLOBAL); -+ //assert (ret >= 0); -+} -+ -+ -+ -+/* write eigen value and eigen vector for (ibnd, ispin) */ -+void F77_FUNC_(esh5_write_psi_g,ESH5_WRITE_PSI_G)(const int* ibnd -+ , const double* eigv, const int* ngtot -+ ) -+{ -+ char aname[64]; -+ sprintf(aname,"state_%i/psi_g",(*ibnd)-1); -+ hsize_t dims[2]; -+ dims[0] = (hsize_t)*ngtot; -+ dims[1] = 2; -+ // fprintf(stderr, "aname = %s ", aname); -+ // fprintf (stderr, " ngtot = %d\n", *ngtot); -+ herr_t ret=H5LTmake_dataset(h_spin,aname,2,dims,H5T_NATIVE_DOUBLE,eigv); -+ //assert (ret >= 0); -+} -+ -+/* write eigen value and eigen vector for (ibnd, ispin) */ -+void F77_FUNC_(esh5_write_psi_r,ESH5_WRITE_PSI_R)(const int* ibnd -+ , const double* eigr, const int* use_complex -+ ) -+{ -+ static int first_time=1; -+ //need to flag this if they are not the same -+ psi_r_is_complex=*use_complex; -+ char aname[64]; -+ sprintf(aname,"state_%i/psi_r",(*ibnd)-1); -+ hsize_t dims_out=(hsize_t)(psi_r_is_complex)?4:3; -+ hsize_t dims[4],dim1=1; -+ dims[0] = num_grid[0]; -+ dims[1] = num_grid[1]; -+ dims[2] = num_grid[2]; -+ dims[3] = 2; -+ herr_t ret=H5LTmake_dataset(h_spin,aname,dims_out,dims,H5T_NATIVE_DOUBLE,eigr); -+ if(first_time) -+ { -+ first_time=0; -+ hid_t pid=H5Dopen(h_ptcls,"psi_r_is_complex"); -+ if(pid<0) -+ ret=H5LTmake_dataset(h_ptcls,"psi_r_is_complex",1,&dim1,H5T_NATIVE_INT,&psi_r_is_complex); -+ else -+ ret = H5Dwrite(pid, H5T_NATIVE_INT, H5S_ALL, H5S_ALL, H5P_DEFAULT,&psi_r_is_complex); -+ } -+} -+ -+ -+/** open density group and write its grid properties -+ * @param gint G in reduced coordinates -+ * @param ngm number of g vectors -+ * @param nr1s grid of the first direction -+ * @param nr2s grid of the second direction -+ * @param nr3s grid of the third direction -+ * -+ * The ordering of gvectors is handled by pwscf. -+ */ -+void F77_FUNC_(esh5_open_density,ESH5_OPEN_DENSITY)(const int* gint -+ , const int* ngm, int *nr1s, int *nr2s, int *nr3s) -+{ -+ num_grid[0]=*nr1s; -+ num_grid[1]=*nr2s; -+ num_grid[2]=*nr3s; -+ num_gvectors=*ngm; -+ -+ h_density = H5Gcreate(h_ptcls,"density",0); -+ hsize_t dim3=3; -+ herr_t ret=H5LTmake_dataset(h_density,"mesh",1,&dim3,H5T_NATIVE_INT,num_grid); -+ -+ // { -+ // int *ig=(int*)malloc(3*num_gvectors*sizeof(int)); -+ // for(int i=0,i3=0; i= 0); -+ // free(ig); -+ // } -+ hsize_t gdims[2]; -+ gdims[0] = (hsize_t)num_gvectors; -+ gdims[1] = (hsize_t)3; -+ ret=H5LTmake_dataset(h_density,"gvectors",2,gdims,H5T_NATIVE_INT,gint); -+ -+ hsize_t dim1=1; -+ ret=H5LTmake_dataset(h_density,"number_of_gvectors",1, -+ &dim1,H5T_NATIVE_INT,ngm); -+} -+ -+/** open density group and write its grid properties -+ * @param nr1s grid of the first direction -+ * @param nr2s grid of the second direction -+ * @param nr3s grid of the third direction -+ */ -+void F77_FUNC_(esh5_open_density_r,ESH5_OPEN_DENSITY_R)(int *nr1s, int *nr2s, int *nr3s -+ ) -+{ -+ printf("ARE YOU GONE MAD \n"); -+ num_grid[0]=*nr1s; -+ num_grid[1]=*nr2s; -+ num_grid[2]=*nr3s; -+ -+ h_density = H5Gcreate(h_ptcls,"density",0); -+ hsize_t dim3=3; -+ herr_t ret=H5LTmake_dataset(h_density,"mesh",1,&dim3,H5T_NATIVE_INT,num_grid); -+} -+ -+void F77_FUNC_(esh5_close_density,ESH5_CLOSE_DENSITY)() -+{ -+ H5Gclose(h_density); -+} -+ -+/* write eigen value and eigen vector for (ibnd, ispin) */ -+void F77_FUNC_(esh5_write_density_r,ESH5_WRITE_DENSITY_R)(const int* ispin,const double* rho) -+{ -+ char aname[8]; -+ sprintf(aname,"spin_%i",(*ispin)-1); -+ /*hid_t h2 = H5Gcreate(h_density,aname,0);*/ -+ hid_t h2 = H5Gopen(h_density,aname); -+ /* write eigenvector */ -+ hsize_t dims[3]; -+ for(int i=0; i<3; ++i) dims[i] = num_grid[i]; -+ herr_t ret=H5LTmake_dataset(h2,"density_r",3,dims,H5T_NATIVE_DOUBLE,rho); -+ H5Gclose(h2); -+} -+ -+void F77_FUNC_(esh5_write_density_g,ESH5_WRITE_DENSITY_G) -+ (const int* ispin , const double* rhog) -+{ -+ char aname[8]; -+ sprintf(aname,"spin_%i",(*ispin)-1); -+ /*hid_t h2 = H5Gopen(h_density,aname);*/ -+ hid_t h2 = H5Gcreate(h_density,aname,0); -+ hsize_t dims_g[2]; -+ dims_g[0]=num_gvectors; -+ dims_g[1]=2; -+ herr_t ret=H5LTmake_dataset(h2,"density_g",2,dims_g,H5T_NATIVE_DOUBLE,rhog); -+ H5Gclose(h2); -+} -+ -+/** write basisset: number of plane waves, plane wave coefficients -+ */ -+ void F77_FUNC_(esh5_write_gvectors,ESH5_WRITE_GVECTORS) -+(const int* restrict itmp, const int* restrict igwk, int* ngk_g) -+{ -+ -+ int ngtot=*ngk_g; -+ -+ //printf("esh5_write_gvectors number_of_gvectors %d\n",ngtot); -+ -+ if(ngtot>num_gvectors_max) -+ { -+ //free the space -+ if(num_gvectors_max) free(igmapped); -+ num_gvectors_max=ngtot; -+ igmapped=(int*)malloc(3*ngtot*sizeof(int)); -+ } -+ -+ for(int ig=0,i3=0; ig=0) H5Gclose(h_main); -+// h_main = H5Gcreate(h_file,"electrons",0); -+// //h_main = H5Gcreate(h_file,"eigenstates",0); -+//} -+// -+///* close eigenstates */ -+//void F77_FUNC_(esh5_close_eigg,ESH5_CLOSE_EIGG)() -+//{ -+// if(h_main>=0) H5Gclose(h_main); -+// h_main=-1; -+//} -+ -+void F77_FUNC_(esh5_write_rho,ESH5_WRITE_RHO)(const double* rho, const double* rhog, const int* ngm) -+{ -+ hid_t h1 = H5Gcreate(h_ptcls,"density",0); -+ -+ hsize_t dim3=3; -+ herr_t ret=H5LTmake_dataset(h1,"mesh",1,&dim3,H5T_NATIVE_INT,num_grid); -+ -+ hid_t h2 = H5Gcreate(h1,"spin_0",0); -+ /* write eigenvector */ -+ hsize_t dims[3]; -+ dims[0] = num_grid[0]; -+ dims[1] = num_grid[1]; -+ dims[2] = num_grid[2]; -+ -+ ret=H5LTmake_dataset(h2,"density_r",3,dims,H5T_NATIVE_DOUBLE,rho); -+ hsize_t dims_g[2]; -+ dims_g[0]=*ngm; -+ dims_g[1]=2; -+ ret=H5LTmake_dataset(h2,"density_g",1,dims_g,H5T_NATIVE_DOUBLE,rhog); -+ H5Gclose(h2); -+ H5Gclose(h1); -+ /* -+ hsize_t gdims[2]; -+ gdims[0]=ngm; -+ gdims[1]=2; -+ dataspace = H5Screate_simple(2, gdims, NULL); -+ dataset = H5Dcreate(h_file, "chargedensity_g", H5T_NATIVE_DOUBLE, dataspace, H5P_DEFAULT); -+ ret = H5Dwrite(dataset, H5T_NATIVE_DOUBLE, H5S_ALL, H5S_ALL, H5P_DEFAULT,rhog); -+ H5Sclose(dataspace); -+ H5Dclose(dataset); -+ */ -+ -+ /* testing with paraview/vtk -+ if(is_gamma) -+ { -+ char vtkname[32]; -+ sprintf(vtkname,"band%i.vtk",(*ibnd)-1); -+ FILE *vtk=fopen(vtkname,"w"); -+ -+ fprintf(vtk,"# vtk DataFile Version 3.0\n"); -+ fprintf(vtk,"vtk output\n"); -+ fprintf(vtk,"ASCII\n"); -+ fprintf(vtk,"DATASET STRUCTURED_POINTS\n"); -+ fprintf(vtk,"DIMENSIONS %i %i %i\n",h_ngrid[0],h_ngrid[1],h_ngrid[2]); -+ fprintf(vtk,"ORIGIN 0 0 0\n"); -+ fprintf(vtk,"SPACING 1 1 1\n"); -+ fprintf(vtk,"\nPOINT_DATA %i\n",h_ngridtot); -+ fprintf(vtk,"SCALARS scalars float\n"); -+ fprintf(vtk,"LOOKUP_TABLE default\n"); -+ -+ for(int i=0,i2=0; i=0) H5Fclose(h_file); -+ -+ h_file = H5Fopen(hfname,H5F_ACC_RDWR,H5P_DEFAULT); -+ h_ptcls = H5Gopen(h_file,"electrons"); -+ if (h_ptcls<0) -+ { -+ printf("Something is wrong %s\n", hfname); -+ return; -+ } -+ -+ // go through each pool and copy the datasets over in the right places -+ for( int i=1;i< *npools;i++) -+ { -+ char name2[*length+10]; -+ int len2=0; -+ len2 = sprintf(name2,"%s_part%u",hfname,i); -+ -+ char * othername = ( char * ) malloc( (len2) + 1 ) ; -+ memcpy( othername , name2 , len2 ) ; -+ othername[len2] = '\0' ; -+ -+// printf("%s %s",name2,othername); -+ -+ hid_t h_file2 = H5Fopen(othername,H5F_ACC_RDONLY,H5P_DEFAULT); -+ hid_t h_ptcls2 = H5Gopen(h_file2,"electrons"); -+ -+ if(h_ptcls2 < 0) -+ { -+ printf("WHOAAA!!! No electrons?!"); -+ return; -+ } -+ else -+ { -+ // create kpoint/spin/state groups -+ for(int ik=0; ik=0) H5Fclose(h_file2); -+ remove(othername); -+ } -+ H5Gclose(h_ptcls); -+ if(h_file>=0) H5Fclose(h_file); -+ h_file=-1; -+ H5Eset_auto (err_func, client_data); -+} -+ -+#endif -diff -W 205 -urN qe-6.2.1_original/clib/make.depend qe-6.2.1_updated/clib/make.depend ---- qe-6.2.1_original/clib/make.depend 2017-12-11 10:51:48.000000000 -0600 -+++ qe-6.2.1_updated/clib/make.depend 2018-04-25 13:54:45.809746856 -0500 -@@ -1,3 +1,4 @@ - md5.o : - md5_from_file.o : - memstat.o : ../include/c_defs.h -+esh5_interfaces.o : ../include/c_defs.h -diff -W 205 -urN qe-6.2.1_original/clib/Makefile qe-6.2.1_updated/clib/Makefile ---- qe-6.2.1_original/clib/Makefile 2017-12-11 10:51:48.000000000 -0600 -+++ qe-6.2.1_updated/clib/Makefile 2018-04-25 13:54:45.809746856 -0500 -@@ -16,14 +16,18 @@ - ptrace.o \ - sockets.o \ - qmmm_aux.o \ --qsort.o -+qsort.o \ -+esh5_interfaces.o - - all : clib.a - --clib.a : $(OBJS) -+clib.a : $(OBJS) - $(AR) $(ARFLAGS) $@ $? - $(RANLIB) $@ - -+esh5_interfaces.o : esh5_interfaces.c -+ $(CC) -std=c99 $(CFLAGS) -c $< -+ - source : - co -l $(OBJS:.o=.c) - -diff -W 205 -urN qe-6.2.1_original/install/configure qe-6.2.1_updated/install/configure ---- qe-6.2.1_original/install/configure 2017-12-11 10:52:53.000000000 -0600 -+++ qe-6.2.1_updated/install/configure 2018-04-25 13:54:45.813746859 -0500 -@@ -8809,10 +8809,10 @@ - elif test -e $with_hdf5_path/bin/h5fc; then - hdf5_libs=`$with_hdf5_path/bin/h5fc -show | awk -F'-L' '{$1="";$2="-L"$2; print $0}'` - else -- hdf5_libs="-L$with_hdf5_path/lib -lhdf5_fortran -lhdf5 -lrt -lz -ldl -lm -Wl,-rpath -Wl,$with_hdf5_path/lib" -+ hdf5_libs="-L$with_hdf5_path/lib -lhdf5_fortran -lhdf5_hl -lhdf5 -lrt -lz -ldl -lm -Wl,-rpath -Wl,$with_hdf5_path/lib" - fi - try_iflags="$try_iflags -I$with_hdf5_path/include" -- try_dflags="$try_dflags -D__HDF5" -+ try_dflags="$try_dflags -D__HDF5 -DH5_USE_16_API" - fi - - hdf5_line="HDF5_LIBS=$hdf5_libs" -diff -W 205 -urN qe-6.2.1_original/Modules/qeh5_module.f90 qe-6.2.1_updated/Modules/qeh5_module.f90 ---- qe-6.2.1_original/Modules/qeh5_module.f90 2017-12-11 10:53:17.000000000 -0600 -+++ qe-6.2.1_updated/Modules/qeh5_module.f90 2018-04-25 13:54:45.813746859 -0500 -@@ -163,13 +163,12 @@ - CASE default - ierr =1 - END SELECT -- IF ( ierr /=0 ) THEN -- IF (present (error)) then -- error = ierr -- ELSE -- CALL H5Eprint_f( jerr ) -- stop -- END IF -+ IF (present (error)) then -+ ! success=0, fail=-1. QE error handling needs a positive error code. -+ error = abs(ierr) -+ ELSE IF ( ierr /=0 ) THEN -+ CALL H5Eprint_f( jerr ) -+ stop - END IF - ! //' with action '// trim(action), 1 ) - END SUBROUTINE qeh5_openfile -diff -W 205 -urN qe-6.2.1_original/PP/src/Makefile qe-6.2.1_updated/PP/src/Makefile ---- qe-6.2.1_original/PP/src/Makefile 2017-12-11 10:51:58.000000000 -0600 -+++ qe-6.2.1_updated/PP/src/Makefile 2018-04-25 13:54:45.813746859 -0500 -@@ -61,7 +61,7 @@ - pawplot.x sumpdos.x pw2wannier90.x pw_export.x pw2gw.x \ - wannier_ham.x wannier_plot.x molecularpdos.x \ - pw2bgw.x bgw2pw.x wfck2r.x importexport_binary.x \ -- fermi_velocity.x fermi_proj.x -+ fermi_velocity.x fermi_proj.x pw2qmcpack.x - - - libpp.a : $(PPOBJS) -@@ -204,6 +204,11 @@ - fermisurface.o libpp.a $(MODULES) $(LIBOBJS) $(LIBS) - - ( cd ../../bin ; ln -fs ../PP/src/$@ . ) - -+pw2qmcpack.x : pw2qmcpack.o libpp.a $(MODULES) $(LIBOBJS) -+ $(LD) $(LDFLAGS) -o $@ \ -+ pw2qmcpack.o libpp.a $(MODULES) $(LIBOBJS) $(LIBS) -+ - ( cd ../../bin ; ln -fs ../PP/src/$@ . ) -+ - tldeps : - if test -n "$(TLDEPS)" ; then \ - ( cd ../.. ; $(MAKE) $(TLDEPS) || exit 1 ) ; fi -diff -W 205 -urN qe-6.2.1_original/PP/src/pw2qmcpack.f90 qe-6.2.1_updated/PP/src/pw2qmcpack.f90 ---- qe-6.2.1_original/PP/src/pw2qmcpack.f90 1969-12-31 18:00:00.000000000 -0600 -+++ qe-6.2.1_updated/PP/src/pw2qmcpack.f90 2018-04-25 13:55:23.133771005 -0500 -@@ -0,0 +1,1338 @@ -+! -+! Copyright (C) 2004 PWSCF group -+! This file is distributed under the terms of the -+! GNU General Public License. See the file `License' -+! in the root directory of the present distribution, -+! or http://www.gnu.org/copyleft/gpl.txt . -+! -+!----------------------------------------------------------------------- -+PROGRAM pw2qmcpack -+ !----------------------------------------------------------------------- -+ -+ ! This subroutine writes the file "prefix".pwscf.xml and "prefix".pwscf.h5 -+ ! containing the plane wave coefficients and other stuff needed by QMCPACK. -+ -+ USE io_files, ONLY : nd_nmbr, prefix, tmp_dir -+ USE io_global, ONLY : stdout, ionode, ionode_id -+ USE mp, ONLY : mp_bcast -+ USE mp_global, ONLY : mp_startup, npool, nimage, nproc_pool, nproc_file, nproc_pool_file -+ USE control_flags, ONLY : twfcollect, gamma_only -+ USE mp_world, ONLY : world_comm, nproc -+ USE environment,ONLY : environment_start, environment_end -+ USE KINDS, ONLY : DP -+ ! -+ IMPLICIT NONE -+ INTEGER :: ios -+ LOGICAL :: write_psir, expand_kp, debug -+ REAL(DP) :: t1, t2, dt -+ ! directory for temporary files -+ CHARACTER(len=256) :: outdir -+ ! -+ CHARACTER(LEN=256), EXTERNAL :: trimcheck -+ -+ NAMELIST / inputpp / prefix, outdir, write_psir, expand_kp, debug -+#ifdef __MPI -+ CALL mp_startup ( ) -+#endif -+ -+ CALL environment_start ( 'pw2qmcpack' ) -+#if defined(__HDF5) || defined(__HDF5_C) -+ IF ( nimage > 1) & -+ CALL errore('pw2qmcpack', ' image parallelization not (yet) implemented', 1) -+ -+ ! CALL start_postproc(nd_nmbr) -+ ! -+ ! set default values for variables in namelist -+ ! -+ prefix = 'pwscf' -+ write_psir = .false. -+ expand_kp = .false. -+ debug = .false. -+ CALL get_environment_variable( 'ESPRESSO_TMPDIR', outdir ) -+ IF ( TRIM( outdir ) == ' ' ) outdir = './' -+ ios = 0 -+ IF ( ionode ) THEN -+ ! -+ CALL input_from_file ( ) -+ !READ (5, inputpp, err=200, iostat=ios) -+ READ (5, inputpp, iostat=ios) -+ tmp_dir = trimcheck (outdir) -+ ! -+ END IF -+ CALL mp_bcast( ios, ionode_id, world_comm ) -+ IF ( ios/=0 ) CALL errore('pw2qmcpack', 'reading inputpp namelist', ABS(ios)) -+ ! -+ ! ... Broadcast variables -+ ! -+ CALL mp_bcast(prefix, ionode_id, world_comm ) -+ CALL mp_bcast(tmp_dir, ionode_id, world_comm ) -+ CALL mp_bcast(write_psir, ionode_id, world_comm ) -+ CALL mp_bcast(expand_kp, ionode_id, world_comm ) -+ CALL mp_bcast(debug, ionode_id, world_comm ) -+ ! -+ CALL start_clock ( 'read_file' ) -+ CALL read_file -+ CALL stop_clock ( 'read_file' ) -+ IF ( ( nproc /= nproc_file .or. nproc_pool /= nproc_pool_file) .and. .not. twfcollect) & -+ CALL errore('pw2qmcpack', 'pw.x run with different numbers of procs and pools. & -+ & Rerun pw2qmcpack.x with the same procs and pools as pw.x. & -+ & Or use wf_collect=.true. in pw.x input file.',1) -+ IF ( gamma_only ) & -+ CALL errore('pw2qmcpack', 'Using gamma trick results a reduced G space that is not supported by QMCPACK & -+ & though pw2qmcpack itself still can convert the WF to an h5 file in this case (experts only). & -+ & Please run pw.x with k point 0.0 0.0 0.0 instead of gamma.',1) -+ ! -+ CALL openfil_pp -+ ! -+ CALL start_clock ( 'compute_qmcpack' ) -+ CALL compute_qmcpack(write_psir, expand_kp, debug) -+ CALL stop_clock ( 'compute_qmcpack' ) -+ ! -+ IF ( ionode ) THEN -+ WRITE( 6, * ) -+ ! -+ CALL print_clock( 'read_file_lite' ) -+ CALL print_clock( 'compute_qmcpack' ) -+ ! -+ WRITE( 6, '(/5x,"Called by read_file_lite:")' ) -+ CALL print_clock ( 'read_pseudo' ) -+ CALL print_clock ( 'read_rho' ) -+ CALL print_clock ( 'fft_rho' ) -+ CALL print_clock ( 'read_wave' ) -+ ! -+ WRITE( 6, '(/5x,"Called by compute_qmcpack:")' ) -+ CALL print_clock ( 'big_loop' ) -+ CALL print_clock ( 'write_h5' ) -+ CALL print_clock ( 'glue_h5' ) -+ ENDIF -+#else -+ CALL errore('pw2qmcpack', ' HDF5 flag not enabled during configure',1) -+#endif -+ CALL environment_end ( 'pw2qmcpack' ) -+ CALL stop_pp -+ STOP -+ -+ -+ -+END PROGRAM pw2qmcpack -+ -+SUBROUTINE check_norm(ng, eigvec, collect_intra_pool, jks, ibnd, tag) -+ USE mp_pools, ONLY: me_pool, intra_pool_comm -+ USE mp, ONLY: mp_sum -+ USE KINDS, ONLY: DP -+ ! -+ IMPLICIT NONE -+ ! -+ COMPLEX(DP), INTENT(IN) :: eigvec(ng) -+ INTEGER, INTENT(IN) :: ng, jks, ibnd -+ LOGICAL, INTENT(IN) :: collect_intra_pool -+ CHARACTER(len=*), INTENT(IN) :: tag -+ ! -+ INTEGER :: ig -+ REAL(DP) :: total_norm -+ ! -+ ! check normalization before writing h5 -+ total_norm = 0.d0 -+ !$omp parallel do reduction(+:total_norm) -+ DO ig=1, ng -+ total_norm = total_norm + eigvec(ig)*CONJG(eigvec(ig)) -+ ENDDO -+ ! collect within a pool -+ IF(collect_intra_pool) CALL mp_sum ( total_norm , intra_pool_comm ) -+ ! compute the norm -+ total_norm = SQRT(total_norm) -+ ! check abort if necessary -+ IF (me_pool==0 .AND. ABS(total_norm-1.d0)>1.d-6) THEN -+ WRITE(*,"(A,I3,A,I3,3A,F20.15)") "The wrong norm of k-point ", jks, " band ", ibnd, " , ", & -+ tag, ", is ", total_norm -+ IF (.NOT. collect_intra_pool) THEN -+ WRITE(*,"(3A)") "The orbitals went wrong before being written to h5 file. ", & -+ "Please first add debug=.true. in the pw2qmcpack input file to check ", & -+ "if the orbitals can be read from QE files correctly." -+ ELSE -+ WRITE(*,"(2A)") "The orbitals read from QE files are incorrect. ", & -+ "Perhaps your QE orbital files are corrupted." -+ ENDIF -+ STOP -+ ENDIF -+ ! -+END SUBROUTINE -+ -+SUBROUTINE compute_qmcpack(write_psir, expand_kp, debug) -+ -+ USE kinds, ONLY: DP -+ USE ions_base, ONLY : nat, ntyp => nsp, ityp, tau, zv, atm -+ USE cell_base, ONLY: omega, alat, tpiba2, at, bg -+ USE constants, ONLY: tpi -+ USE run_info, ONLY: title -+ USE gvect, ONLY: ngm, ngm_g, g, ig_l2g -+ USE gvecs, ONLY : nls, nlsm -+ USE klist , ONLY: nks, nelec, nelup, neldw, wk, xk, nkstot -+ USE lsda_mod, ONLY: lsda, nspin, isk -+ USE scf, ONLY: rho, rho_core, rhog_core, vnew -+ USE wvfct, ONLY: npw, npwx, nbnd, g2kin, wg, et -+ USE klist, ONLY: igk_k -+ USE gvecw, ONLY : ecutwfc -+ USE control_flags, ONLY: gamma_only -+ USE becmod, ONLY: becp, calbec, allocate_bec_type, deallocate_bec_type -+ USE io_global, ONLY: stdout, ionode, ionode_id -+ USE mp_world, ONLY: world_comm, mpime -+ USE io_files, ONLY: nd_nmbr, nwordwfc, iunwfc, iun => iunsat, tmp_dir, prefix -+ USE wavefunctions_module, ONLY : evc, psic -+ use iotk_module -+ use iotk_xtox_interf -+ USE mp_global, ONLY: inter_pool_comm, intra_pool_comm, nproc_pool, kunit -+ USE mp_global, ONLY: npool, my_pool_id, intra_image_comm -+ USE mp_pools, ONLY: me_pool -+ USE mp, ONLY: mp_sum, mp_max, mp_bcast, mp_barrier -+ use scatter_mod, ONLY : gather_grid, scatter_grid -+ use fft_base, ONLY : dffts -+ use fft_interfaces, ONLY : invfft, fwfft -+ USE dfunct, ONLY : newd -+ USE symm_base, ONLY : nsym, s, ftau -+ -+ IMPLICIT NONE -+ LOGICAL :: write_psir, expand_kp, debug -+ LOGICAL :: pool_ionode -+ INTEGER :: ig, ibnd, ik, io, na, j, ispin, nbndup, nbnddown, & -+ nk, ngtot, ig7, ikk, iks, kpcnt, jks, nt, ijkb0, ikb, ih, jh, jkb, at_num, & -+ nelec_tot, nelec_up, nelec_down, ii, igx, igy, igz, n_rgrid(3), & -+ nkqs, nr1s,nr2s,nr3s -+ INTEGER, ALLOCATABLE :: indx(:), igtog(:), igtomin(:), g_global_to_local(:) -+ LOGICAL :: exst, found -+ REAL(DP) :: ek, eloc, enl, charge, etotefield -+ REAL(DP) :: bg_qmc(3,3), g_red(3), lattice_real(3,3) -+ COMPLEX(DP), ALLOCATABLE :: phase(:),eigpacked(:) -+ COMPLEX(DP), ALLOCATABLE :: psitr(:) -+ REAL(DP), ALLOCATABLE :: tau_r(:,:),psireal(:),eigval(:) !,g_cart(:,:) -+ INTEGER :: ios, ierr, h5len,oldh5,ig_c,save_complex, nup,ndown -+ INTEGER, EXTERNAL :: atomic_number, is_complex -+ !REAL(DP), ALLOCATABLE :: g_qmc(:,:) -+ INTEGER, ALLOCATABLE :: gint_den(:,:), gint_qmc(:,:) -+ COMPLEX(DP), ALLOCATABLE :: den_g_global(:,:) -+ REAL (DP), EXTERNAL :: ewald -+ COMPLEX(DP), ALLOCATABLE, TARGET :: tmp_psic(:) -+ COMPLEX(DP), DIMENSION(:), POINTER :: psiCptr -+ REAL(DP), DIMENSION(:), POINTER :: psiRptr -+! ********************************************************************** -+ INTEGER :: npw_sym -+ INTEGER, ALLOCATABLE, TARGET :: igk_sym(:) -+ REAL(DP), ALLOCATABLE :: g2kin_sym(:) -+! ********************************************************************** -+ INTEGER :: nkfull,max_nk,max_sym,isym,nxxs -+ INTEGER , ALLOCATABLE :: num_irrep(:) -+ INTEGER, ALLOCATABLE :: xkfull_index(:,:) ! maps to sym_list and xk_full_list -+ INTEGER, ALLOCATABLE :: sym_list(:) -+ REAL(DP), ALLOCATABLE :: xk_full_list(:,:) -+ REAL(DP) :: t1, t2, dt -+ integer, allocatable :: rir(:) -+ COMPLEX(DP), ALLOCATABLE :: tmp_evc(:) -+ -+ CHARACTER(256) :: tmp,h5name,eigname,tmp_combo -+ CHARACTER(iotk_attlenx) :: attr -+ -+ INTEGER :: rest, nbase, basekindex, nktot -+ REAL(DP) :: xk_cryst(3) -+ -+ INTEGER :: npwx_tot, igk_g; -+ -+ NULLIFY(psiRptr) -+ NULLIFY(psiCptr) -+ -+ ! Ye Luo -+ ! define the pool level ionode -+ ! an image ionode must be pool ionode -+ if(me_pool==0) then -+ pool_ionode=.true. -+ else -+ pool_ionode=.false. -+ endif -+ -+ ! MAMorales: -+ ! removed USPP functions -+ -+ ! Ye Luo: -+ ! sum up npwx to npwx_tot inside a pool and maximize it among pools. -+ npwx_tot = npwx -+ CALL mp_sum ( npwx_tot, intra_pool_comm ) -+ CALL mp_max ( npwx_tot, inter_pool_comm ) -+ !write(*,*) mpime, ionode_id, npwx_tot, npw -+ -+ ! this limits independent definition of ecutrho to < 4*ecutwf -+ ! four times npwx should be enough -+ ALLOCATE (indx (4*npwx_tot) ) -+ ALLOCATE (igtog (4*npwx_tot) ) -+ ALLOCATE (g_global_to_local(ngm_g) ) -+ ALLOCATE (igtomin(4*npwx_tot) ) -+ ALLOCATE (tmp_evc(npwx_tot) ) -+ -+ indx(:) = 0 -+ igtog(:) = 0 -+ igtomin(:) = 0 -+ -+ rest = ( nkstot - kunit * ( nkstot / kunit / npool ) * npool ) / kunit -+ nbase = nks * my_pool_id -+ IF ( ( my_pool_id + 1 ) > rest ) nbase = nbase + rest * kunit -+ !write(*,*) "debug",mpime, nks, nbase -+ -+ IF( lsda ) THEN -+! IF( expand_kp ) & -+! CALL errore ('pw2qmcpack','expand_kp not implemented with nspin>1`', 1) -+ nbndup = nbnd -+ nbnddown = nbnd -+ nk = nks/2 -+ nktot = nkstot/2 -+ ! nspin = 2 -+ ELSE -+ nbndup = nbnd -+ nbnddown = 0 -+ nk = nks -+ nktot = nkstot -+ ! nspin = 1 -+ ENDIF -+ -+! ! sanity check for lsda logic to follow -+! if (ionode) then -+! DO ik = 1, nktot -+! iks=ik+nktot -+! xk_cryst(:) = at(1,:)*xk(1,ik) + at(2,:)*xk(2,ik) + at(3,:)*xk(3,ik) - ( at(1,:)*xk(1,iks) + at(2,:)*xk(2,iks) + at(3,:)*xk(3,iks)) -+! if (abs(xk_cryst(1))+abs(xk_cryst(2))+abs(xk_cryst(3)) .gt. 1e-12) then -+! print *,"not paired %i %i",ik,iks -+! endif -+! ENDDO -+! endif -+ -+ -+ ! -+ -+ ! for now, I'm assuming that symmetry rotations do not affect npw, -+ ! meaning that rotations don't displace elements outside the cutoff -+ nr1s = dffts%nr1 -+ nr2s = dffts%nr2 -+ nr3s = dffts%nr3 -+ nxxs = dffts%nr1x * dffts%nr2x * dffts%nr3x -+ allocate (igk_sym( npwx ), g2kin_sym ( npwx ) ) -+ -+ if (ionode) then -+ if(expand_kp) then -+ max_sym = min(48, 2 * nsym) -+ max_nk = nktot * max_sym -+ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,max_sym),sym_list(max_nk)) -+ ALLOCATE(xk_full_list(3,max_nk)) -+ ALLOCATE(rir(nxxs)) -+ call generate_symmetry_equivalent_list() -+ if(ionode) print *,'Total number of k-points after expansion:',nkfull -+ else -+ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,1),sym_list(nktot)) -+ ALLOCATE(xk_full_list(3,nktot)) -+ nkfull = nktot -+ do ik = 1, nktot -+ xk_full_list(:,ik) = xk(:,ik) -+ num_irrep(ik) = 1 -+ sym_list(ik) = 1 -+ xkfull_index(ik,1) = ik -+ enddo -+ endif -+ else -+ if(expand_kp) then -+ max_sym = min(48, 2 * nsym) -+ max_nk = nktot * max_sym -+ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,max_sym),sym_list(max_nk)) -+ ALLOCATE(xk_full_list(3,max_nk)) -+ ALLOCATE(rir(nxxs)) -+ else -+ ALLOCATE(num_irrep(nktot),xkfull_index(nktot,1),sym_list(nktot)) -+ ALLOCATE(xk_full_list(3,nktot)) -+ nkfull = nktot -+ endif -+ endif -+ -+ CALL mp_bcast(xkfull_index, ionode_id, world_comm ) -+ CALL mp_bcast(xk_full_list, ionode_id, world_comm ) -+ CALL mp_bcast(sym_list, ionode_id, world_comm ) -+ CALL mp_bcast(num_irrep, ionode_id, world_comm ) -+ CALL mp_bcast(nkfull, ionode_id, world_comm ) -+ -+ ! IF ( nbase > 0 ) THEN -+ ! num_irrep(1:nks) = num_irrep(nbase+1:nbase+nks) -+ ! xk_full_list(:,1:nks) = xk_full_list(:,nbase+1:nbase+nks) -+ ! END IF -+ -+ DO ik = 1, nks -+ basekindex = ik + nbase -+ CALL gk_sort (xk (1, basekindex), ngm, g, ecutwfc / tpiba2, npw, igk_k(:,ik), g2kin) -+ -+ DO ig =1, npw -+ ! mapping to the global g vectors. -+ igk_g = ig_l2g(igk_k(ig,ik)) -+ IF( igk_g > 4*npwx_tot ) & -+ CALL errore ('pw2qmcpack','increase allocation of index', ig) -+ indx( igk_g ) = 1 -+ ENDDO -+ ENDDO -+ call mp_max(indx, world_comm) -+ -+ ngtot = 0 -+ ! igtomin maps indices from the full set of G-vectors to the -+ ! minimal set which includes the G-spheres of all k-points -+ DO ig = 1, 4*npwx_tot -+ IF( indx(ig) > 0 ) THEN -+ ngtot = ngtot + 1 -+ igtog(ngtot) = ig -+ igtomin(ig) = ngtot -+ ENDIF -+ ENDDO -+ -+ if (debug) then -+ write(6,"(A)") " pw2qmcpack found" -+ write(6,"(A,A8,2A8,4A10,1A4)") " MPI rank", "pool id", "npwx", "npw", "npwx_tot", "ngtot", "ngm", "ngm_g", "nks" -+ write(*,"(A,I9,I8,2I8,4I10,1I4)") " ", mpime, me_pool, npwx, npw, npwx_tot, ngtot, ngm, ngm_g, nks -+ endif -+ -+ ALLOCATE (gint_qmc(3,ngtot)) -+ ALLOCATE (gint_den(3,ngm_g)) -+ ALLOCATE (den_g_global(ngm_g,nspin)) -+ !ALLOCATE (g_qmc(3,ngtot)) -+ !ALLOCATE (g_cart(3,ngtot)) -+ ALLOCATE (tau_r(3,nat)) -+ -+ ! get the number of electrons -+ nelec_tot= NINT(nelec) -+ nup=NINT(nelup) -+ ndown=NINT(neldw) -+ -+ if(nup .eq. 0) then -+ ndown=nelec_tot/2 -+ nup=nelec_tot-ndown -+ endif -+ -+ bg_qmc(:,:)=bg(:,:)/alat -+ -+ if((npool>1) .and. (my_pool_id>0)) then -+ h5name = TRIM( prefix ) // '.pwscf.h5' // "_part"//trim(iotk_itoa(my_pool_id)) -+ else -+ h5name = TRIM( prefix ) // '.pwscf.h5' -+ endif -+ eigname = "eigenstates_"//trim(iotk_itoa(nr1s))//'_'//trim(iotk_itoa(nr2s))//'_'//trim(iotk_itoa(nr3s)) -+ -+ tmp = TRIM( tmp_dir )//TRIM( h5name ) -+ h5len = LEN_TRIM(tmp) -+ -+#if defined(__HDF5) || defined(__HDF5_C) -+ ! writing to xml and hdf5 -+ ! open hdf5 file -+ oldh5=0 -+ if(pool_ionode) CALL esh5_open_file(tmp,h5len,oldh5) -+ -+ -+ if(ionode) then -+ !! create a file for particle set -+ tmp = TRIM( tmp_dir ) // TRIM( prefix )// '.ptcl.xml' -+ CALL iotk_open_write(iun, FILE=TRIM(tmp), ROOT="qmcsystem", IERR=ierr ) -+ -+ CALL iotk_write_attr (attr,"name","global",first=.true.) -+ CALL iotk_write_begin(iun, "simulationcell",ATTR=attr) -+ CALL iotk_write_attr (attr,"name","lattice",first=.true.) -+ CALL iotk_write_attr (attr,"units","bohr") -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ -+ lattice_real=alat*at -+ WRITE(iun,100) lattice_real(1,1), lattice_real(2,1), lattice_real(3,1) -+ WRITE(iun,100) lattice_real(1,2), lattice_real(2,2), lattice_real(3,2) -+ WRITE(iun,100) lattice_real(1,3), lattice_real(2,3), lattice_real(3,3) -+ -+ CALL esh5_write_supercell(lattice_real) -+ -+ CALL iotk_write_end(iun, "parameter") -+ CALL iotk_write_attr (attr,"name","reciprocal",first=.true.) -+ CALL iotk_write_attr (attr,"units","2pi/bohr") -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ WRITE(iun,100) bg_qmc(1,1), bg_qmc(2,1), bg_qmc(3,1) -+ WRITE(iun,100) bg_qmc(1,2), bg_qmc(2,2), bg_qmc(3,2) -+ WRITE(iun,100) bg_qmc(1,3), bg_qmc(2,3), bg_qmc(3,3) -+ CALL iotk_write_end(iun, "parameter") -+ -+ CALL iotk_write_attr (attr,"name","bconds",first=.true.) -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ WRITE(iun,'(a)') 'p p p' -+ CALL iotk_write_end(iun, "parameter") -+ -+ CALL iotk_write_attr (attr,"name","LR_dim_cutoff",first=.true.) -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ WRITE(iun,'(a)') '15' -+ CALL iotk_write_end(iun, "parameter") -+ CALL iotk_write_end(iun, "simulationcell") -+ -+ ! -+ CALL iotk_write_attr (attr,"name","ion0",first=.true.) -+ CALL iotk_write_attr (attr,"size",nat) -+ CALL iotk_write_begin(iun, "particleset",ATTR=attr) -+ -+ CALL esh5_open_atoms(nat,ntyp) -+ -+ ! ionic species --> group -+ DO na=1,ntyp -+ -+ tmp=TRIM(atm(na)) -+ h5len=LEN_TRIM(tmp) -+ CALL esh5_write_species(na,tmp,h5len,atomic_number(tmp),zv(na)) -+ -+ CALL iotk_write_attr (attr,"name",TRIM(atm(na)),first=.true.) -+ CALL iotk_write_begin(iun, "group",ATTR=attr) -+ CALL iotk_write_attr (attr,"name","charge",first=.true.) -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ write(iun,*) zv(na) -+ CALL iotk_write_end(iun, "parameter") -+ -+ CALL iotk_write_end(iun, "group") -+ ENDDO -+ -+ -+ ! -+ CALL iotk_write_attr (attr,"name","ionid",first=.true.) -+ CALL iotk_write_attr (attr,"datatype","stringArray") -+ CALL iotk_write_begin(iun, "attrib",ATTR=attr) -+ write(iun,'(a)') (TRIM(atm(ityp(na))),na=1,nat) -+ CALL iotk_write_end(iun, "attrib") -+ -+ ! -+ CALL iotk_write_attr (attr,"name","position",first=.true.) -+ CALL iotk_write_attr (attr,"datatype","posArray") -+ CALL iotk_write_attr (attr,"condition","0") -+ CALL iotk_write_begin(iun, "attrib",ATTR=attr) -+ ! write in cartesian coordinates in bohr -+ ! problem with xyz ordering inrelation to real-space grid -+ DO na = 1, nat -+ tau_r(1,na)=alat*tau(1,na) -+ tau_r(2,na)=alat*tau(2,na) -+ tau_r(3,na)=alat*tau(3,na) -+ WRITE(iun,100) (tau_r(j,na),j=1,3) -+ ENDDO -+ !write(iun,100) tau -+ CALL iotk_write_end(iun, "attrib") -+ CALL iotk_write_end(iun, "particleset") -+ -+ !cartesian positions -+ CALL esh5_write_positions(tau_r) -+ CALL esh5_write_species_ids(ityp) -+ -+ CALL esh5_close_atoms() -+ ! -+ -+ ! -+ CALL iotk_write_attr (attr,"name","e",first=.true.) -+ CALL iotk_write_attr (attr,"random","yes") -+ CALL iotk_write_attr (attr,"random_source","ion0") -+ CALL iotk_write_begin(iun, "particleset",ATTR=attr) -+ -+ ! -+ CALL iotk_write_attr (attr,"name","u",first=.true.) -+ CALL iotk_write_attr (attr,"size",nup) -+ CALL iotk_write_begin(iun, "group",ATTR=attr) -+ CALL iotk_write_attr (attr,"name","charge",first=.true.) -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ write(iun,*) -1 -+ CALL iotk_write_end(iun, "parameter") -+ CALL iotk_write_end(iun, "group") -+ -+ ! -+ CALL iotk_write_attr (attr,"name","d",first=.true.) -+ CALL iotk_write_attr (attr,"size",ndown) -+ CALL iotk_write_begin(iun, "group",ATTR=attr) -+ CALL iotk_write_attr (attr,"name","charge",first=.true.) -+ CALL iotk_write_begin(iun, "parameter",ATTR=attr) -+ write(iun,*) -1 -+ CALL iotk_write_end(iun, "parameter") -+ CALL iotk_write_end(iun, "group") -+ CALL iotk_write_end(iun, "particleset") -+ CALL iotk_close_write(iun) -+ -+ !! close the file -+ !!DO ik = 0, nk-1 -+ ik=0 -+ ! NOT create a xml input file for each k-point -+ ! IF(nk .gt. 1) THEN -+ ! tmp = TRIM( tmp_dir ) // TRIM( prefix ) //TRIM(iotk_index(ik))// '.wfs.xml' -+ ! ELSE -+ ! tmp = TRIM( tmp_dir ) // TRIM( prefix )// '.wfs.xml' -+ ! ENDIF -+ tmp = TRIM( tmp_dir ) // TRIM( prefix )// '.wfs.xml' -+ CALL iotk_open_write(iun, FILE=TRIM(tmp), ROOT="qmcsystem", IERR=ierr ) -+ ! -+ CALL iotk_write_attr (attr,"name","psi0",first=.true.) -+ CALL iotk_write_attr (attr,"target","e") -+ CALL iotk_write_begin(iun, "wavefunction",ATTR=attr) -+ write(iun,'(a)') ' ' -+ CALL iotk_write_attr (attr,"type","bspline",first=.true.) -+ CALL iotk_write_attr (attr,"href",TRIM(h5name)) -+ CALL iotk_write_attr (attr,"sort","1") -+ CALL iotk_write_attr (attr,"tilematrix","1 0 0 0 1 0 0 0 1") -+ CALL iotk_write_attr (attr,"twistnum","0") -+ CALL iotk_write_attr (attr,"source","ion0") -+ CALL iotk_write_attr (attr,"version","0.10") -+ CALL iotk_write_begin(iun, "determinantset",ATTR=attr) -+ CALL iotk_write_attr (attr,"ecut",ecutwfc/2,first=.true.) -+ ! basisset to overwrite cutoff to a smaller value -+ !CALL iotk_write_begin(iun, "basisset",ATTR=attr) -+ ! ! add grid to use spline on FFT grid -+ ! CALL iotk_write_attr (attr,"dir","0",first=.true.) -+ ! CALL iotk_write_attr (attr,"npts",nr1s) -+ ! CALL iotk_write_attr (attr,"closed","no") -+ ! CALL iotk_write_empty(iun, "grid",ATTR=attr) -+ ! CALL iotk_write_attr (attr,"dir","1",first=.true.) -+ ! CALL iotk_write_attr (attr,"npts",nr2s) -+ ! CALL iotk_write_attr (attr,"closed","no") -+ ! CALL iotk_write_empty(iun, "grid",ATTR=attr) -+ ! CALL iotk_write_attr (attr,"dir","2",first=.true.) -+ ! CALL iotk_write_attr (attr,"npts",nr3s) -+ ! CALL iotk_write_attr (attr,"closed","no") -+ ! CALL iotk_write_empty(iun, "grid",ATTR=attr) -+ !CALL iotk_write_end(iun, "basisset") -+ -+ !CALL iotk_write_attr (attr,"href",TRIM(h5name),first=.true.) -+ !CALL iotk_write_empty(iun, "coefficients",ATTR=attr) -+ -+ ! write the index of the twist angle -+ !!!! remove twistIndex and twistAngle -+ !using determinantset@twistnum -+ !CALL iotk_write_attr (attr,"name","twistIndex",first=.true.) -+ !CALL iotk_write_begin(iun, "h5tag",ATTR=attr) -+ !write(iun,*) ik -+ !CALL iotk_write_end(iun, "h5tag") -+ -+ !CALL iotk_write_attr (attr,"name","twistAngle",first=.true.) -+ !CALL iotk_write_begin(iun, "h5tag",ATTR=attr) -+ !g_red(1)=at(1,1)*xk(1,ik+1)+at(2,1)*xk(2,ik+1)+at(3,1)*xk(3,ik+1) -+ !g_red(2)=at(1,2)*xk(1,ik+1)+at(2,2)*xk(2,ik+1)+at(3,2)*xk(3,ik+1) -+ !g_red(3)=at(1,3)*xk(1,ik+1)+at(2,3)*xk(2,ik+1)+at(3,3)*xk(3,ik+1) -+ !!write(iun,100) xk(1,ik+1),xk(2,ik+1),xk(3,ik+1) -+ !write(iun,100) g_red(1),g_red(2),g_red(3) -+ !CALL iotk_write_end(iun, "h5tag") -+ !write(iun,'(a)') ' ' -+ -+ -+ CALL iotk_write_begin(iun, "slaterdeterminant") -+ ! build determinant for up electrons -+ CALL iotk_write_attr (attr,"id","updet",first=.true.) -+ CALL iotk_write_attr (attr,"size",nup) -+ CALL iotk_write_begin(iun, "determinant",ATTR=attr) -+ CALL iotk_write_attr (attr,"mode","ground",first=.true.) -+ CALL iotk_write_attr (attr,"spindataset",0) -+ CALL iotk_write_begin(iun, "occupation",ATTR=attr) -+ CALL iotk_write_end(iun, "occupation") -+ CALL iotk_write_end(iun, "determinant") -+ -+ ! build determinant for down electrons -+ CALL iotk_write_attr (attr,"id","downdet",first=.true.) -+ CALL iotk_write_attr (attr,"size",ndown) -+ IF( lsda ) CALL iotk_write_attr (attr,"ref","updet") -+ CALL iotk_write_begin(iun, "determinant",ATTR=attr) -+ CALL iotk_write_attr (attr,"mode","ground",first=.true.) -+ IF( lsda ) THEN -+ CALL iotk_write_attr (attr,"spindataset",1) -+ ELSE -+ CALL iotk_write_attr (attr,"spindataset",0) -+ ENDIF -+ CALL iotk_write_begin(iun, "occupation",ATTR=attr) -+ CALL iotk_write_end(iun, "occupation") -+ CALL iotk_write_end(iun, "determinant") -+ CALL iotk_write_end(iun, "slaterdeterminant") -+ -+ CALL iotk_write_end(iun, "determinantset") -+ -+ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! -+ ! two-body jastro -+ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! -+ CALL iotk_write_attr (attr,"name","J2",first=.true.) -+ CALL iotk_write_attr (attr,"type","Two-Body"); -+ CALL iotk_write_attr (attr,"function","Bspline"); -+ CALL iotk_write_attr (attr,"print","yes"); -+ CALL iotk_write_begin(iun, "jastrow",ATTR=attr) -+ -+ ! for uu -+ CALL iotk_write_attr (attr,"speciesA","u",first=.true.) -+ CALL iotk_write_attr (attr,"speciesB","u") -+ !CALL iotk_write_attr (attr,"rcut","10") -+ CALL iotk_write_attr (attr,"size","8") -+ CALL iotk_write_begin(iun, "correlation",ATTR=attr) -+ CALL iotk_write_attr (attr,"id","uu",first=.true.) -+ CALL iotk_write_attr (attr,"type","Array") -+ CALL iotk_write_begin(iun, "coefficients",ATTR=attr) -+ write(iun,*) "0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0" -+ CALL iotk_write_end(iun, "coefficients") -+ CALL iotk_write_end(iun, "correlation") -+ -+ ! for ud -+ CALL iotk_write_attr (attr,"speciesA","u",first=.true.) -+ CALL iotk_write_attr (attr,"speciesB","d") -+ !CALL iotk_write_attr (attr,"rcut","10") -+ CALL iotk_write_attr (attr,"size","8") -+ CALL iotk_write_begin(iun, "correlation",ATTR=attr) -+ CALL iotk_write_attr (attr,"id","ud",first=.true.) -+ CALL iotk_write_attr (attr,"type","Array") -+ CALL iotk_write_begin(iun, "coefficients",ATTR=attr) -+ write(iun,*) "0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0" -+ CALL iotk_write_end(iun, "coefficients") -+ CALL iotk_write_end(iun, "correlation") -+ -+ CALL iotk_write_end(iun, "jastrow") -+ -+ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! -+ ! one-body jastro -+ !!!!!!!!!!!!!!!!!!!!!!!!!!!!! -+ CALL iotk_write_attr (attr,"name","J1",first=.true.) -+ CALL iotk_write_attr (attr,"type","One-Body"); -+ CALL iotk_write_attr (attr,"function","Bspline"); -+ CALL iotk_write_attr (attr,"source","ion0"); -+ CALL iotk_write_attr (attr,"print","yes"); -+ CALL iotk_write_begin(iun, "jastrow",ATTR=attr) -+ -+ DO na=1,ntyp -+ tmp=TRIM(atm(na)) -+ tmp_combo='e'//TRIM(atm(na)) -+ -+ !h5len=LEN_TRIM(tmp) -+ CALL iotk_write_attr (attr,"elementType",TRIM(tmp),first=.true.) -+ !CALL iotk_write_attr (attr,"rcut","10") -+ CALL iotk_write_attr (attr,"size","8") -+ CALL iotk_write_begin(iun, "correlation",ATTR=attr) -+ -+ CALL iotk_write_attr (attr,"id",TRIM(tmp_combo),first=.true.) -+ CALL iotk_write_attr (attr,"type","Array") -+ CALL iotk_write_begin(iun, "coefficients",ATTR=attr) -+ write(iun,*) "0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0" -+ CALL iotk_write_end(iun, "coefficients") -+ CALL iotk_write_end(iun, "correlation") -+ ENDDO -+ CALL iotk_write_end(iun, "jastrow") -+ -+ CALL iotk_write_end(iun, "wavefunction") -+ -+ CALL iotk_close_write(iun) -+ !ENDDO -+ -+ endif ! ionode -+ -+ g_global_to_local(:)=0 -+ DO ig=1,ngm -+ g_global_to_local(ig_l2g(ig))=ig -+ ENDDO -+ -+ gint_qmc(:,:) = 0 -+ DO ig=1, ngtot -+ ig_c = g_global_to_local(igtog(ig)) -+ if (ig_c>0) then -+ !g_cart(1,ig)=tpi/alat*g(1,ig_c) -+ !g_cart(2,ig)=tpi/alat*g(2,ig_c) -+ !g_cart(3,ig)=tpi/alat*g(3,ig_c) -+ !g_qmc(1,ig)=at(1,1)*g(1,ig_c)+at(2,1)*g(2,ig_c)+at(3,1)*g(3,ig_c) -+ !g_qmc(2,ig)=at(1,2)*g(1,ig_c)+at(2,2)*g(2,ig_c)+at(3,2)*g(3,ig_c) -+ !g_qmc(3,ig)=at(1,3)*g(1,ig_c)+at(2,3)*g(2,ig_c)+at(3,3)*g(3,ig_c) -+ gint_qmc(1,ig)=NINT(at(1,1)*g(1,ig_c)+at(2,1)*g(2,ig_c)+at(3,1)*g(3,ig_c)) -+ gint_qmc(2,ig)=NINT(at(1,2)*g(1,ig_c)+at(2,2)*g(2,ig_c)+at(3,2)*g(3,ig_c)) -+ gint_qmc(3,ig)=NINT(at(1,3)*g(1,ig_c)+at(2,3)*g(2,ig_c)+at(3,3)*g(3,ig_c)) -+ !WRITE(io,'(3(1x,f20.15))') g_cart(1,ig),g_cart(2,ig),g_cart(3,ig) -+ endif -+ ENDDO -+ call mp_sum(gint_qmc, intra_pool_comm) -+ -+ gint_den(:,:) = 0 -+ DO ig=1,ngm -+ gint_den(1,ig_l2g(ig))=NINT(at(1,1)*g(1,ig)+at(2,1)*g(2,ig)+at(3,1)*g(3,ig)) -+ gint_den(2,ig_l2g(ig))=NINT(at(1,2)*g(1,ig)+at(2,2)*g(2,ig)+at(3,2)*g(3,ig)) -+ gint_den(3,ig_l2g(ig))=NINT(at(1,3)*g(1,ig)+at(2,3)*g(2,ig)+at(3,3)*g(3,ig)) -+ ENDDO -+ DO ispin=1,nspin -+ den_g_global(:,ispin) = 0.d0 -+ DO ig=1,ngm -+ den_g_global(ig_l2g(ig),ispin) = rho%of_g(ig,ispin) -+ ENDDO -+ ENDDO -+ -+ call mp_sum(gint_den, intra_pool_comm) -+ call mp_sum(den_g_global, intra_pool_comm) -+ -+ n_rgrid(1)=nr1s -+ n_rgrid(2)=nr2s -+ n_rgrid(3)=nr3s -+ -+ save_complex=0 -+ if(ionode) then -+ DO ik = 1, nktot -+ !! evaluate the phase -+ !phase(:) = (0.d0,0.d0) -+ !if ( ig_(ik,ib)>0) phase( nls(ig_(ik,ib)) ) = (1.d0,0.d0) -+ g_red(1)=at(1,1)*xk_full_list(1,ik)+at(2,1)*xk_full_list(2,ik)+at(3,1)*xk_full_list(3,ik) -+ g_red(2)=at(1,2)*xk_full_list(1,ik)+at(2,2)*xk_full_list(2,ik)+at(3,2)*xk_full_list(3,ik) -+ g_red(3)=at(1,3)*xk_full_list(1,ik)+at(2,3)*xk_full_list(2,ik)+at(3,3)*xk_full_list(3,ik) -+ -+ IF(g_red(1)*g_red(1)+g_red(2)*g_red(2)+g_red(3)*g_red(3)>1e-12) THEN -+ save_complex=1 -+ END IF -+ END DO -+ endif -+ -+ CALL mp_bcast(save_complex, ionode_id, world_comm ) -+ -+ -+ -+! WRITE(io,'(A10,3(1x,i6))') 'ngrid: ',n_rgrid(1:3) -+ -+ !CALL esh5_open_electrons(nup, ndown,nspin,nk,nbnd,n_rgrid)!, save_complex) -+ !CALL esh5_open_electrons(nup, ndown, nspin, nkfull, nbnd, n_rgrid)!, save_complex) -+ -+ if(pool_ionode) then -+ if(ionode) then -+ CALL esh5_open_electrons_base(nup, ndown, nspin, nkfull, nbnd, n_rgrid)!, save_complex) -+ else -+ CALL esh5_open_electrons(nup, ndown, nspin, nkfull, nbnd, n_rgrid)!, save_complex) -+ endif -+ endif -+ -+! IF (write_psir) THEN -+! CALL esh5_write_psi_r_mesh(n_rgrid) -+! ENDIF -+ -+ !!NOT YET DECIDED -+ !!CALL esh5_write_basis(g_qmc,g_cart,ngtot) -+ !!CALL esh5_write_parameters(nelec_tot,nspin,nbnd,nkfull,ecutwfc/2,alat,at) -+ ! -+ -+ ALLOCATE (eigpacked(ngtot)) -+ ALLOCATE (eigval(nbnd)) -+ -+!ionode writes all k-point and ev data -+ if(ionode)then -+ DO ik = 1, nkstot -+ basekindex = ik + nbase -+ ispin = 1 -+ if (basekindex > nktot) then -+ ispin = 2 -+ basekindex = basekindex - nktot -+ endif -+ DO iks = 1,num_irrep(basekindex) -+ jks = xkfull_index(basekindex,iks) -+ g_red(1)=at(1,1)*xk_full_list(1,jks)+at(2,1)*xk_full_list(2,jks)+at(3,1)*xk_full_list(3,jks) -+ g_red(2)=at(1,2)*xk_full_list(1,jks)+at(2,2)*xk_full_list(2,jks)+at(3,2)*xk_full_list(3,jks) -+ g_red(3)=at(1,3)*xk_full_list(1,jks)+at(2,3)*xk_full_list(2,jks)+at(3,3)*xk_full_list(3,jks) -+ -+ CALL esh5_open_kpoint(jks) -+ CALL esh5_write_kpoint_data(g_red,wk(basekindex)/num_irrep(basekindex),ngtot,iks,num_irrep(basekindex)) -+ -+ ! only the 1 index kpoint will write this g vectors -+ if(ik == 1) then -+ CALL esh5_write_gvectors_k(gint_qmc,ngtot) -+ endif -+ -+! if (lsda) then -+! ispin = isk(ik) -+! else -+! ispin=1 -+! endif -+ -+ CALL esh5_open_spin(ispin) -+ DO ibnd = 1, nbnd -+ eigval(ibnd)=0.5*et(ibnd,ik) -+ ENDDO -+ CALL esh5_write_eigvalues(eigval) -+ CALL esh5_close_spin() -+ -+ -+ CALL esh5_close_kpoint() -+ ENDDO -+ ENDDO -+ else -+ DO ik = 1, nks -+ basekindex = ik + nbase -+ if (basekindex > nktot) then -+ basekindex = basekindex - nktot -+ ispin=2 -+ else -+ ispin=1 -+ endif -+ DO iks = 1,num_irrep(basekindex) -+ jks = xkfull_index(basekindex,iks) -+ g_red(1)=at(1,1)*xk_full_list(1,jks)+at(2,1)*xk_full_list(2,jks)+at(3,1)*xk_full_list(3,jks) -+ g_red(2)=at(1,2)*xk_full_list(1,jks)+at(2,2)*xk_full_list(2,jks)+at(3,2)*xk_full_list(3,jks) -+ g_red(3)=at(1,3)*xk_full_list(1,jks)+at(2,3)*xk_full_list(2,jks)+at(3,3)*xk_full_list(3,jks) -+ -+ !! open kpoint -+ if(pool_ionode) CALL esh5_open_kpoint(jks) -+! CALL esh5_write_kpoint_data(g_red,wk(ik)/num_irrep(basekindex),ngtot) -+! if (lsda) then -+! ispin = isk(ik) -+! else -+! ispin=1 -+! endif -+ if(pool_ionode) CALL esh5_open_spin(ispin) -+ if(pool_ionode) CALL esh5_close_spin() -+ -+ if(pool_ionode) CALL esh5_close_kpoint() -+ -+ ENDDO -+ ENDDO -+ endif -+ -+100 FORMAT (3(1x,f20.15)) -+ -+ if(save_complex /=1 .and. write_psir) ALLOCATE(psireal(nxxs)) -+ if(write_psir .or. expand_kp) then -+ ALLOCATE(psitr(nxxs)) -+ IF(nproc_pool > 1) ALLOCATE(tmp_psic(nxxs)) -+ endif -+ -+! if(ionode) print *,'PW2QMCPACK npw=',npw,'ngtot=',ngtot -+ ! open real-space wavefunction on FFT grid -+ !!CALL esh5_open_eigr(nr1s,nr2s,nr3s) -+ !DO ik = 1, nk -+ -+ CALL start_clock ( 'big_loop' ) -+ if(nks .eq. 1) then ! treat 1 kpoint specially -+ if(pool_ionode) write(*,"(A,I8,A)") ' k pool ', my_pool_id, ' has only 1 Kpoint. Bypass everything ' -+ ik=1 -+ basekindex = ik + nbase -+ if (basekindex > nktot) then -+ basekindex = basekindex - nktot -+ ispin=2 -+ else -+ ispin=1 -+ endif -+ if(debug) write(6,*) " starting davcio!" -+ CALL davcio (evc, 2*nwordwfc, iunwfc, ik, - 1) -+ if(debug) write(6,*) " davcio ends!" -+ if(pool_ionode) CALL esh5_open_kpoint(basekindex) -+ if(pool_ionode) CALL esh5_open_spin(ispin) -+ DO ibnd = 1, nbnd -+ eigpacked(:)=(0.d0,0.d0) -+ eigpacked(igtomin(ig_l2g(igk_k(1:npw,ik))))=evc(1:npw,ibnd) -+ IF (debug) CALL check_norm(npw, evc(1,ibnd), .true., jks, ibnd, "before collection") -+ if (debug) write(6,"(A,1I5)") " collecting band ", ibnd -+ CALL mp_sum ( eigpacked , intra_pool_comm ) -+ if (debug) write(6,"(A,1I5)") " writing band ", ibnd -+ if (pool_ionode) THEN -+ CALL check_norm(ngtot, eigpacked, .false., jks, ibnd, "after collection before writing") -+ CALL esh5_write_psi_g(ibnd,eigpacked,ngtot) -+ ENDIF -+ enddo -+ if(pool_ionode) CALL esh5_close_spin() -+ if(pool_ionode) CALL esh5_close_kpoint() -+ else ! nk .neq. 1 -+ DO ik = 1, nks -+ basekindex = ik + nbase -+ if (basekindex > nktot) then -+ basekindex = basekindex - nktot -+ ispin=2 -+ else -+ ispin=1 -+ endif -+ DO iks = 1,num_irrep(basekindex) -+ jks = xkfull_index(basekindex,iks) -+ isym = sym_list(jks) -+ -+ if(expand_kp) then -+ call generate_symmetry_rotation(isym) -+ endif -+ -+ if(pool_ionode) CALL esh5_open_kpoint(jks) -+ -+! if(ionode) print *,'PW2QMCPACK ik,iks=',ik,iks -+ -+! DO ispin = 1, nspin -+! ikk = ik + nk*(ispin-1) -+! if (lsda) then -+! ispin = isk(ik) -+! else -+! ispin=1 -+! endif -+ -+ !!! MAM: This could be outside the num_irrep group is ispin = 1, -+ !!! can I switch the order of esh5_open_spin and -+ !!! esh5_open_kpoint??? -+ CALL gk_sort (xk (1:3, ik), ngm, g, ecutwfc / tpiba2, npw, igk_k(:,ik), g2kin) -+ CALL davcio (evc, 2*nwordwfc, iunwfc, ik, - 1) -+ CALL gk_sort (xk_full_list (1:3, jks), ngm, g, ecutwfc / tpiba2, npw_sym, igk_sym, g2kin_sym) -+ if(npw .ne. npw_sym ) then -+ write(*,*) 'Warning!!!: npw != npw_sym: ',npw,npw_sym -+ endif -+ -+ if(pool_ionode) CALL esh5_open_spin(ispin) -+ -+ DO ibnd = 1, nbnd !!transform G to R -+ -+! I should be able to do the rotation directly in G space, -+! but for now I'm doing it like this -+ IF(expand_kp) then -+ psic(:)=(0.d0,0.d0) -+ psitr(:)=(0.d0,0.d0) -+ tmp_evc(:) = (0.d0,0.d0) -+ IF(nproc_pool > 1) THEN -+ ! -+ psic(nls(ig_l2g(igk_k(1:npw,ik))))=evc(1:npw,ibnd) -+ -+! call errore ('pw2qmcpack','parallel version not fully implemented.',2) -+ if(gamma_only) then -+ call errore ('pw2qmcpack','problems with gamma_only, not fully implemented.',2) -+ endif -+ ! -+ CALL invfft ('Wave', psic, dffts) -+ ! -+! call cgather_smooth(psic,psitr) -+ call gather_grid(dffts,psic,psitr) -+ tmp_psic(1:nxxs) = psitr(rir(1:nxxs)) -+! call cscatter_smooth(tmp_psic,psic) -+ call scatter_grid(dffts,tmp_psic,psic) -+ ! -+ ! at this point, I have the rotated orbital in real space, might -+ ! want to keep it stored somewhere for later use if write_psir -+ ! -+ CALL fwfft ('Wave', psic, dffts) -+ ! -+ tmp_evc(1:npw_sym)=psic(nls(ig_l2g(igk_sym(1:npw_sym)))) -+ ! -+ ELSE ! nproc_pool <= 1 -+ ! -+ psic(nls(ig_l2g(igk_k(1:npw,ik))))=evc(1:npw,ibnd) -+ if(gamma_only) then -+ call errore ('pw2qmcpack','problems with gamma_only, not fully implemented.',2) -+ endif -+ ! -+ CALL invfft ('Wave', psic, dffts) -+ ! -+ psitr(1:nxxs) = psic(rir(1:nxxs)) -+ ! temporary hack to see if I have problems with inversion -+ ! symmetry -+ if(isym.lt.0 .AND. iks.gt.1 .AND. abs(isym).eq.abs(sym_list(xkfull_index(basekindex,iks-1))) ) then -+ psitr(1:nxxs) = CONJG(psitr(1:nxxs)) -+ endif -+ !psitr(:) = psic(:) -+ ! -+ CALL fwfft ('Wave', psitr, dffts) -+ ! -+ tmp_evc(1:npw_sym)=psitr(nls(ig_l2g(igk_sym(1:npw_sym)))) -+ ! -+ ENDIF ! nprocpool -+ -+ !mapping is different with expand_kp, revert to the slow method -+ DO ig=1, ngtot -+ ! now for all G vectors find the PW coefficient for this k-point -+ found = .FALSE. -+ !!! MMORALES: This is very inefficient, create a mapping in the beggining from g -+ !!! to the g grid used in qmcpack, and just set to -1 the elements -+ !!! outside the cutoff -+ DO ig7 = 1, npw_sym -+ IF( ig_l2g(igk_sym(ig7)) == igtog(ig) )THEN -+ !!! FIX FIX FIX, In parallel, this is completely incorrect since each proc only -+ !has limited data, you have to do a sum reduce at the very end to the head node -+ eigpacked(ig)=tmp_evc(ig7) -+ found = .TRUE. -+ GOTO 18 -+ ENDIF -+ ENDDO ! ig7 -+ ! if can't find the coefficient this is zero -+ 18 IF( .NOT. found ) eigpacked(ig)=(0.d0,0.d0) -+ ENDDO ! ig -+ ELSE ! expandkp = false -+ ! -+ !tmp_evc(:) = evc(:,ibnd) -+ eigpacked(:)=(0.d0,0.d0) -+ eigpacked(igtomin(ig_l2g(igk_k(1:npw,ik))))=evc(1:npw,ibnd) -+ IF (debug) CALL check_norm(npw, evc(1,ibnd), .true., jks, ibnd, "before collection") -+ ! -+ ENDIF ! expandkp -+ -+ CALL mp_sum ( eigpacked , intra_pool_comm ) -+ if (pool_ionode) THEN -+ CALL check_norm(ngtot, eigpacked, .false., jks, ibnd, "after collection before writing") -+ CALL esh5_write_psi_g(ibnd,eigpacked,ngtot) -+ ENDIF -+ -+ IF (write_psir) THEN -+ psic(:)=(0.d0,0.d0) -+ psic(nls(ig_l2g(igk_sym(1:npw_sym))))=tmp_evc(1:npw_sym) -+ if(gamma_only) psic(nlsm(ig_l2g(igk_sym(1:npw_sym)))) = CONJG(tmp_evc(1:npw_sym)) -+ ! -+ CALL invfft ('Wave', psic, dffts) -+ ! -+ IF(nproc_pool > 1) THEN -+ ! -+ tmp_psic=psic -+! call cgather_smooth(psic,tmp_psic) -+ call gather_grid(dffts,psic,tmp_psic) -+ psiCptr => tmp_psic -+ ! -+ ELSE -+ ! -+ psiCptr => psic -+ ! -+ ENDIF -+ ! -+ IF(save_complex .eq. 1) THEN -+ ! -+ !psic(:)=psic(:)/omega -+ ii=1 -+ DO igx=1,nr1s -+ DO igy=0,nr2s-1 -+ DO igz=0,nr3s-1 -+ psitr(ii)=psiCptr(igx+nr1s*(igy+igz*nr2s))/omega -+ ii=ii+1 -+ ENDDO -+ ENDDO -+ ENDDO -+ if(pool_ionode) CALL esh5_write_psi_r(ibnd,psitr,save_complex) -+ ! -+ ELSE -+ ! -+ ii=1 -+ DO igx=1,nr1s -+ DO igy=0,nr2s-1 -+ DO igz=0,nr3s-1 -+ psireal(ii)=real(psiCptr(igx+nr1s*(igy+igz*nr2s)))/omega -+ ii=ii+1 -+ ENDDO -+ ENDDO -+ ENDDO -+ if(pool_ionode) CALL esh5_write_psi_r(ibnd,psireal,save_complex) -+ ! -+ ENDIF -+ ENDIF ! write_psir -+ !! conversion and output complete for each band -+ ENDDO ! ibnd -+ if(pool_ionode) CALL esh5_close_spin() -+! ENDDO -+ if(pool_ionode) CALL esh5_close_kpoint() -+ ENDDO ! iks -+ ENDDO ! ik -+ -+endif ! nk -+CALL stop_clock( 'big_loop' ) -+#endif -+ ! write charge density -+ ! ignore spin for the time being -+ !CALL esh5_write_rho(rho,rhog(1,1),ngm) -+ -+#if defined(__HDF5) || defined(__HDF5_C) -+ CALL start_clock( 'write_h5' ) -+ if(ionode) then -+ CALL esh5_open_density(gint_den,ngm_g,nr1s,nr2s,nr3s) -+ DO ispin = 1, nspin -+ CALL esh5_write_density_g(ispin,den_g_global(1,ispin)) -+ ENDDO -+ CALL esh5_close_density() -+ endif -+ -+ if(pool_ionode) CALL esh5_close_electrons() -+ if(pool_ionode) CALL esh5_close_file() -+ -+ CALL mp_barrier( intra_image_comm ) -+ CALL stop_clock( 'write_h5' ) -+! glue h5 together -+ CALL start_clock( 'glue_h5' ) -+ if(ionode) then -+ if(npool>1) then -+ h5name = TRIM( prefix ) // '.pwscf.h5' -+ tmp = TRIM( tmp_dir )//TRIM( h5name ) -+ h5len = LEN_TRIM(tmp) -+ call esh5_join_all(tmp,h5len,npool) -+ endif -+ endif -+ CALL stop_clock( 'glue_h5' ) -+#endif -+ -+ IF( ALLOCATED(igtog) ) DEALLOCATE (igtog) -+ IF( ALLOCATED(igtomin) ) DEALLOCATE (igtomin) -+ IF( ALLOCATED(indx) ) DEALLOCATE (indx) -+ IF( ALLOCATED(eigpacked) ) DEALLOCATE (eigpacked) -+ !IF( ALLOCATED(g_qmc) ) DEALLOCATE (g_qmc) -+ !IF( ALLOCATED(g_cart) ) DEALLOCATE (g_cart) -+ IF( ALLOCATED(psireal) ) DEALLOCATE (psireal) -+ IF( ALLOCATED(psitr) ) DEALLOCATE (psitr) -+ IF( ALLOCATED(tmp_psic) ) DEALLOCATE (tmp_psic) -+ IF( ALLOCATED(num_irrep) ) DEALLOCATE (num_irrep) -+ IF( ALLOCATED(xkfull_index) ) DEALLOCATE (xkfull_index) -+ IF( ALLOCATED(sym_list) ) DEALLOCATE (sym_list) -+ IF( ALLOCATED(xk_full_list) ) DEALLOCATE (xk_full_list) -+ IF( ALLOCATED(rir) ) DEALLOCATE (rir) -+ IF( ALLOCATED(igk_sym) ) DEALLOCATE (igk_sym) -+ IF( ALLOCATED(g2kin_sym) ) DEALLOCATE (g2kin_sym) -+ !DEALLOCATE (phase) -+ -+ CONTAINS -+ -+ SUBROUTINE generate_symmetry_equivalent_list() -+ ! -+ ! Code taken mostly from PW/exx.f90 -+ ! -+ !------------------------------------------------------------------------ -+ ! -+ USE kinds, ONLY: DP -+ USE cell_base, ONLY : at -+ USE lsda_mod, ONLY : nspin -+ USE klist, ONLY : xk -+ USE io_global, ONLY : stdout, ionode -+ ! -+ USE klist, ONLY : nkstot -+ USE io_global, ONLY : stdout -+ USE wvfct, ONLY : nbnd, npwx, npw, wg, et -+ USE klist, ONLY : wk, ngk, nks -+ USE symm_base, ONLY : nsym, s, ftau -+ USE lsda_mod, ONLY: lsda -+ use fft_base, ONLY : dffts -+! use fft_interfaces, ONLY : invfft -+ -+ ! -+ IMPLICIT NONE -+ ! -+ integer :: is, ik, ikq, iq, ns , nktot -+ logical :: xk_not_found -+ real (DP) :: sxk(3), dxk(3), xk_cryst(3), xkk_cryst(3) -+ logical :: exst -+ REAL (DP) :: eps =1.d-8 -+ -+ ! -+ ! find all k-points equivalent by symmetry to the points in the k-list -+ ! -+ -+ if(lsda)then -+ nktot=nkstot/2 -+ else -+ nktot=nkstot -+ endif -+ -+ nkfull = 0 -+ do ik =1, nktot -+ ! -+ num_irrep(ik) = 0 -+ ! -+ ! isym=1 is the identity -+ do is=1,nsym -+ xk_cryst(:) = at(1,:)*xk(1,ik) + at(2,:)*xk(2,ik) + at(3,:)*xk(3,ik) -+ sxk(:) = s(:,1,is)*xk_cryst(1) + & -+ s(:,2,is)*xk_cryst(2) + & -+ s(:,3,is)*xk_cryst(3) -+ ! add sxk to the auxiliary list if it is not already present -+ xk_not_found = .true. -+ do ikq=1, nkfull -+ if (xk_not_found ) then -+ dxk(:) = sxk(:)-xk_full_list(:,ikq) - nint(sxk(:)-xk_full_list(:,ikq)) -+ if ( abs(dxk(1)).le.eps .and. & -+ abs(dxk(2)).le.eps .and. & -+ abs(dxk(3)).le.eps ) xk_not_found = .false. -+ end if -+ end do -+ if (xk_not_found) then -+ nkfull = nkfull + 1 -+ num_irrep(ik) = num_irrep(ik) + 1 -+ xkfull_index(ik,num_irrep(ik)) = nkfull -+ xk_full_list(:,nkfull) = sxk(:) -+ sym_list(nkfull) = is -+ end if -+ -+ sxk(:) = - sxk(:) -+ xk_not_found = .true. -+ do ikq=1, nkfull -+ if (xk_not_found ) then -+ dxk(:) = sxk(:)-xk_full_list(:,ikq) - nint(sxk(:)-xk_full_list(:,ikq)) -+ if ( abs(dxk(1)).le.eps .and. & -+ abs(dxk(2)).le.eps .and. & -+ abs(dxk(3)).le.eps ) xk_not_found = .false. -+ end if -+ end do -+ if (xk_not_found) then -+ nkfull = nkfull + 1 -+ num_irrep(ik) = num_irrep(ik) + 1 -+ xkfull_index(ik,num_irrep(ik)) = nkfull -+ xk_full_list(:,nkfull) = sxk(:) -+ sym_list(nkfull) = -is -+ end if -+ -+ end do -+ end do -+ ! -+ ! transform kp list to cartesian again -+ do ik=1,nkfull -+ dxk(:) = bg(:,1)*xk_full_list(1,ik) + & -+ bg(:,2)*xk_full_list(2,ik) + & -+ bg(:,3)*xk_full_list(3,ik) -+ xk_full_list(:,ik) = dxk(:) -+ enddo -+ ! -+! if(ionode) then -+! print *,'Symmetry Inequivalent list of k-points:' -+! print *,'Total number: ',nkstot -+! do ik =1, nkstot -+! WRITE(*,'(i6,3(1x,f20.15))') ik, xk(1:3,ik) -+! enddo -+! print *,'Full list of k-points (crystal):' -+! print *,'Total number of k-points: ',nkfull -+! print *,'IRREP, N, SYM-ID, KP: ' -+! do ik =1, nkstot -+! do ns=1,num_irrep(ik) -+! WRITE(*,'(i6,i6,i6,3(1x,f20.15))') ik,ns,sym_list(xkfull_index(ik,ns)) & -+! ,xk_full_list(1:3,xkfull_index(ik,ns)) -+! enddo -+! enddo -+! endif -+ ! -+ ! check symm operations -+ ! -+! do ikq =1,nkfull -+! is = abs(sym_list(ikq)) -+! if ( mod (s (2, 1, is) * dffts%nr1, dffts%nr2) .ne.0 .or. & -+! mod (s (3, 1, is) * dffts%nr1, dffts%nr3) .ne.0 .or. & -+! mod (s (1, 2, is) * dffts%nr2, dffts%nr1) .ne.0 .or. & -+! mod (s (3, 2, is) * dffts%nr2, dffts%nr3) .ne.0 .or. & -+! mod (s (1, 3, is) * dffts%nr3, dffts%nr1) .ne.0 .or. & -+! mod (s (2, 3, is) * dffts%nr3, dffts%nr2) .ne.0 ) then -+! call errore ('generate_symmetry_equivalent_list',' problems with grid',is) -+! end if -+! end do -+ -+ END SUBROUTINE generate_symmetry_equivalent_list -+ ! -+ SUBROUTINE generate_symmetry_rotation(is0) -+ USE kinds, ONLY: DP -+ USE klist, ONLY : xk -+ USE io_global, ONLY : stdout, ionode -+ ! -+ USE io_global, ONLY : stdout -+ USE symm_base, ONLY : nsym, s, ftau -+ use fft_base, ONLY : dffts -+ -+ ! -+ IMPLICIT NONE -+ ! -+ integer, intent(in) :: is0 -+ ! -+ integer :: i,j,k, ir, ri, rj, rk, is -+ logical :: exst -+ REAL (DP) :: eps =1.d-6 -+ -+ ! -+ do ir=1, nxxs -+ rir(ir) = ir -+ end do -+ is = abs(is0) -+ do k = 1, dffts%nr3 -+ do j = 1, dffts%nr2 -+ do i = 1, dffts%nr1 -+ call ruotaijk (s(1,1,is), ftau(1,is), i, j, k, & -+ dffts%nr1,dffts%nr2,dffts%nr3, ri, rj , rk ) -+ ir = i + ( j-1)*dffts%nr1x + ( k-1)*dffts%nr1x*dffts%nr2x -+ rir(ir) = ri + (rj-1)*dffts%nr1x + (rk-1)*dffts%nr1x*dffts%nr2x -+ end do -+ end do -+ end do -+ ! -+ END SUBROUTINE generate_symmetry_rotation -+ ! -+END SUBROUTINE compute_qmcpack diff --git a/external_codes/quantum_espresso/download_and_patch_qe5.3.0.sh b/external_codes/quantum_espresso/download_and_patch_qe5.3.0.sh deleted file mode 100755 index d10ae61b0b..0000000000 --- a/external_codes/quantum_espresso/download_and_patch_qe5.3.0.sh +++ /dev/null @@ -1,48 +0,0 @@ -#!/bin/sh - -# Attempt to automatically download and patch Quantum-Espresso for pw2qmcpack converter -# Patch developed by William Parker / Argonne National Lab -# This simple script, Paul Kent / Oak Ridge National LaB - -codename=espresso-5.3.0 -archivename=${codename}.tar.gz -if [ ! -e ${archivename} ]; then -echo --- Did not find ${archivename} in current directory. -# Full URL of espresso download link obtained from qe-forge on 29 September 2014 -# Will need to be updated between versions -qeurl=http://qe-forge.org/gf/download/frsrelease/204/912/${archivename} -echo --- Attempting to download. This can take several minutes. -wget --no-verbose ${qeurl} -else -echo --- Found and using ${archivename} in current directory. -fi -if [ ! -e ${archivename} ]; then -echo --- ERROR: Could not find ${archivename} -echo --- Something went wrong... possibly a bad URL for the file download or you are offline -echo --- Please advise QMCPACK Developers via Google Groups if this problem persists -else -echo --- Unpacking -tar xvzf ${archivename} -if [ ! -e ${codename}/PW/src/Makefile ]; then -echo --- ERROR: Could not find PW/src/Makefile -echo --- Something went wrong... probably a failure to download the full archive. -echo --- Check ${archivename}. Delete if a partial download and retry. -echo --- Also check $qeurl is valid - perhaps the files have moved online. -echo --- Please advise QMCPACK Developers via Google Groups if this problem persists -else -cd ${codename} -patch -f -p1 -i ../add_pw2qmcpack_to_${codename}.diff -cd .. -if [ -e $codename/PP/src/pw2qmcpack.f90 ]; then -echo --- SUCCESS: ${codename} patched for pw2qmcpack converter -echo "--- Configure using ./configure --with-hdf5 HDF5_DIR=(HDF5 base directory)" -echo --- Add platform specific options as needed -else -echo --- ERROR: Could not find PP/src/pw2qmcpack.f90 after patching -echo --- Probably the patch is missing or the archive has been updated. -echo --- Please advise QMCPACK Developers via Google Groups. -fi -fi - -fi - diff --git a/external_codes/quantum_espresso/download_and_patch_qe6.2.1.sh b/external_codes/quantum_espresso/download_and_patch_qe6.2.1.sh deleted file mode 100755 index fa04128b2b..0000000000 --- a/external_codes/quantum_espresso/download_and_patch_qe6.2.1.sh +++ /dev/null @@ -1,53 +0,0 @@ -#!/bin/sh - -# Attempt to automatically download and patch Quantum-Espresso for pw2qmcpack converter -# Patch developed by William Parker / Argonne National Lab -# This simple script, Paul Kent / Oak Ridge National LaB - -codename=qe-6.2.1 -archivename=${codename}.tar.gz -if [ ! -e ${archivename} ]; then -echo --- Did not find ${archivename} in current directory. -# Full URL of espresso download link obtained from qe-forge on 22 Feb 2018 -# Will need to be updated between versions -qeurl=http://www.qe-forge.org/gf/download/frsrelease/247/1132/${archivename} -#qeurl=https://github.com/QEF/q-e/archive/qe-6.2.1.tar.gz -echo --- Attempting to download. This can take several minutes. -wget --no-verbose ${qeurl} -else -echo --- Found and using ${archivename} in current directory. -fi -if [ ! -e ${archivename} ]; then -echo --- ERROR: Could not find ${archivename} -echo --- Something went wrong... possibly a bad URL for the file download or you are offline -echo --- Please advise QMCPACK Developers via Google Groups if this problem persists -else -echo --- Unpacking -tar xvzf ${archivename} -if [ ! -e ${codename}/PW/src/Makefile ]; then -echo --- ERROR: Could not find PW/src/Makefile -echo --- Something went wrong... probably a failure to download the full archive. -echo --- Check ${archivename}. Delete if a partial download and retry. -echo --- Also check $qeurl is valid - perhaps the files have moved online. -echo --- Please advise QMCPACK Developers via Google Groups if this problem persists -else -cd ${codename} -patch -f -p1 -i ../add_pw2qmcpack_to_${codename}.diff -cd .. -if [ -e $codename/PP/src/pw2qmcpack.f90 ]; then -echo --- SUCCESS: ${codename} patched for pw2qmcpack converter -echo There are two ways to build -echo "1) if your system already has HDF5 installed with Fortran, use the --with-hdf5 configuration option." -echo " Currently HDF5 support in QE itself is preliminary. To enable use of pw2qmcpack" -echo " but use the old non-HDF5 I/O within QE, replace '-D__HDF5' with '-D__HDF5_C' in make.inc." -echo "2) if your system has HDF5 with C only, manually edit make.inc by adding '-D__HDF5_C -DH5_USE_16_API'" -echo " in 'DFLAGS' and provide include and library path in 'IFLAGS' and 'HDF5_LIB'" -else -echo --- ERROR: Could not find PP/src/pw2qmcpack.f90 after patching -echo --- Probably the patch is missing or the archive has been updated. -echo --- Please advise QMCPACK Developers via Google Groups. -fi -fi - -fi -