diff --git a/CMakeLists.txt b/CMakeLists.txt index a72be7e0ca..d49985fc0f 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -652,8 +652,6 @@ endif() find_package(HDF5 COMPONENTS C) if(HDF5_FOUND) - set(HAVE_LIBHDF5 1) - if(HDF5_IS_PARALLEL) message(STATUS "Parallel HDF5 library found") option(ENABLE_PHDF5 "Enable code paths using parallel HDF5" ON) @@ -692,7 +690,7 @@ if(HDF5_FOUND) add_library(IO::HDF5 INTERFACE IMPORTED) target_include_directories(IO::HDF5 INTERFACE "${HDF5_INCLUDE_DIR}") - target_compile_definitions(IO::HDF5 INTERFACE "HAVE_LIBHDF5;H5_USE_16_API") + target_compile_definitions(IO::HDF5 INTERFACE "H5_USE_16_API") target_link_libraries(IO::HDF5 INTERFACE "${HDF5_LIBRARIES}") if(ENABLE_PHDF5) target_compile_definitions(IO::HDF5 INTERFACE "ENABLE_PHDF5") diff --git a/doxygen/config.h b/doxygen/config.h index a9b65e7d51..9f6a0e7ad4 100644 --- a/doxygen/config.h +++ b/doxygen/config.h @@ -36,9 +36,6 @@ /* Enable OpenMP parallelization. */ #define QMC_OMP 1 -/* Define to 1 if you have the `hdf5' library (-lhdf5). */ -#define HAVE_LIBHDF5 1 - /* Define to 1 if you want to use parallel hdf5 for frequent output */ /* #undef ENABLE_PHDF5 */ diff --git a/src/Particle/HDFWalkerInputManager.cpp b/src/Particle/HDFWalkerInputManager.cpp index d91b537002..5b9e4a4604 100644 --- a/src/Particle/HDFWalkerInputManager.cpp +++ b/src/Particle/HDFWalkerInputManager.cpp @@ -16,9 +16,7 @@ #include "HDFWalkerInputManager.h" #include "OhmmsData/AttributeSet.h" -#if defined(HAVE_LIBHDF5) #include "Particle/HDFWalkerInput_0_4.h" -#endif #include "Message/Communicate.h" #include "hdf/HDFVersion.h" @@ -28,7 +26,6 @@ HDFWalkerInputManager::HDFWalkerInputManager(WalkerConfigurations& wc_list, size HDFWalkerInputManager::~HDFWalkerInputManager() {} -#if defined(HAVE_LIBHDF5) bool HDFWalkerInputManager::put(xmlNodePtr cur) { //reference revision number @@ -61,13 +58,4 @@ bool HDFWalkerInputManager::put(xmlNodePtr cur) CurrentFileRoot = cfile; return success; } -#else -bool HDFWalkerInputManager::put(xmlNodePtr cur) { return false; } -#endif - -void HDFWalkerInputManager::rewind(const std::string& h5root, int blocks) -{ - // HDFWalkerInputCollect WO(h5root); - // WO.rewind(wc_list_,blocks); -} } // namespace qmcplusplus diff --git a/src/Particle/HDFWalkerInputManager.h b/src/Particle/HDFWalkerInputManager.h index c76732dd5b..35825ecdba 100644 --- a/src/Particle/HDFWalkerInputManager.h +++ b/src/Particle/HDFWalkerInputManager.h @@ -37,8 +37,6 @@ class HDFWalkerInputManager //bool put(std::vector& mset, int pid); //bool put(std::vector& mset, Communicate* comm); std::string getFileRoot() { return CurrentFileRoot; } - - void rewind(const std::string& h5root, int blocks); }; } // namespace qmcplusplus diff --git a/src/QMCWaveFunctions/LCAO/LCAOSpinorBuilder.cpp b/src/QMCWaveFunctions/LCAO/LCAOSpinorBuilder.cpp index c17c43a00d..e0144e9fed 100644 --- a/src/QMCWaveFunctions/LCAO/LCAOSpinorBuilder.cpp +++ b/src/QMCWaveFunctions/LCAO/LCAOSpinorBuilder.cpp @@ -117,7 +117,6 @@ bool LCAOSpinorBuilder::loadMO(LCAOrbitalSet& up, LCAOrbitalSet& dn, xmlNodePtr bool LCAOSpinorBuilder::putFromH5(LCAOrbitalSet& up, LCAOrbitalSet& dn, xmlNodePtr occ_ptr) { #ifdef QMC_COMPLEX -#if defined(HAVE_LIBHDF5) if (up.getBasisSetSize() == 0 || dn.getBasisSetSize() == 0) { myComm->barrier_and_abort("LCASpinorBuilder::loadMO detected ZERO BasisSetSize"); @@ -198,10 +197,6 @@ bool LCAOSpinorBuilder::putFromH5(LCAOrbitalSet& up, LCAOrbitalSet& dn, xmlNodeP myComm->comm.broadcast_n(dn.C->data(), dn.C->size()); #endif -#else - myComm->barrier_and_abort("LCAOSpinorBuilder::putFromH5 HDF5 is disabled"); -#endif - #else myComm->barrier_and_abort("LCAOSpinorBuilder::putFromH5 Must build with QMC_COMPLEX"); #endif diff --git a/src/QMCWaveFunctions/LCAO/LCAOrbitalBuilder.cpp b/src/QMCWaveFunctions/LCAO/LCAOrbitalBuilder.cpp index 936efa293a..4ae825a5bd 100644 --- a/src/QMCWaveFunctions/LCAO/LCAOrbitalBuilder.cpp +++ b/src/QMCWaveFunctions/LCAO/LCAOrbitalBuilder.cpp @@ -661,7 +661,6 @@ bool LCAOrbitalBuilder::putFromXML(LCAOrbitalSet& spo, xmlNodePtr coeff_ptr) */ bool LCAOrbitalBuilder::putFromH5(LCAOrbitalSet& spo, xmlNodePtr coeff_ptr) { -#if defined(HAVE_LIBHDF5) int neigs = spo.getBasisSetSize(); int setVal = -1; std::string setname; @@ -723,9 +722,6 @@ bool LCAOrbitalBuilder::putFromH5(LCAOrbitalSet& spo, xmlNodePtr coeff_ptr) } } myComm->bcast(spo.C->data(), spo.C->size()); -#else - APP_ABORT("LCAOrbitalBuilder::putFromH5 HDF5 is disabled.") -#endif return true; } @@ -736,7 +732,6 @@ bool LCAOrbitalBuilder::putFromH5(LCAOrbitalSet& spo, xmlNodePtr coeff_ptr) */ bool LCAOrbitalBuilder::putPBCFromH5(LCAOrbitalSet& spo, xmlNodePtr coeff_ptr) { -#if defined(HAVE_LIBHDF5) ReportEngine PRE("LCAOrbitalBuilder", "LCAOrbitalBuilder::putPBCFromH5"); int norbs = spo.getOrbitalSetSize(); int neigs = spo.getBasisSetSize(); @@ -822,10 +817,6 @@ bool LCAOrbitalBuilder::putPBCFromH5(LCAOrbitalSet& spo, xmlNodePtr coeff_ptr) #ifdef HAVE_MPI myComm->comm.broadcast_n(spo.C->data(), spo.C->size()); #endif - -#else - APP_ABORT("LCAOrbitalBuilder::putFromH5 HDF5 is disabled.") -#endif return true; } diff --git a/src/io/OhmmsData/HDFAttribIO.h b/src/io/OhmmsData/HDFAttribIO.h index 5f75f7e027..00ae8087dd 100644 --- a/src/io/OhmmsData/HDFAttribIO.h +++ b/src/io/OhmmsData/HDFAttribIO.h @@ -17,14 +17,7 @@ #ifdef HAVE_CONFIG_H #include "config.h" #endif -#if defined(HAVE_LIBHDF5) #include "hdf5.h" -#else -using hid_t = int; -using hsize_t = std::size_t; -const int H5P_DEFAULT = 0; -#endif - #include diff --git a/src/io/hdf/hdf_archive.h b/src/io/hdf/hdf_archive.h index fc84e0d3bb..07240d0cb2 100644 --- a/src/io/hdf/hdf_archive.h +++ b/src/io/hdf/hdf_archive.h @@ -18,12 +18,9 @@ #include "hdf_datatype.h" #include "hdf_dataspace.h" #include "hdf_dataproxy.h" -#if defined(HAVE_LIBHDF5) #include "hdf_pete.h" #include "hdf_stl.h" #include "hdf_hyperslab.h" -//#include "hdf_double_hyperslab.h" -#endif #include #include #ifdef HAVE_MPI diff --git a/src/io/hdf/hdf_datatype.h b/src/io/hdf/hdf_datatype.h index 4620e2e8cc..c9b3c979e1 100644 --- a/src/io/hdf/hdf_datatype.h +++ b/src/io/hdf/hdf_datatype.h @@ -14,13 +14,10 @@ #define QMCPLUSPLUS_H5DATATYPE_DEFINE_H #include -#if defined(HAVE_LIBHDF5) #include -#endif namespace qmcplusplus { -#if defined(HAVE_LIBHDF5) /** map C types to hdf5 native types * bool is explicit removed due to the fact that it is implementation-dependant */ @@ -44,24 +41,8 @@ BOOSTSUB_H5_DATATYPE(unsigned short, H5T_NATIVE_USHORT); BOOSTSUB_H5_DATATYPE(unsigned int, H5T_NATIVE_UINT); BOOSTSUB_H5_DATATYPE(unsigned long, H5T_NATIVE_ULONG); BOOSTSUB_H5_DATATYPE(unsigned long long, H5T_NATIVE_ULLONG); -//BOOSTSUB_H5_DATATYPE(uint32_t, H5T_NATIVE_UINT32); -//BOOSTSUB_H5_DATATYPE(uint64_t, H5T_NATIVE_UINT64); BOOSTSUB_H5_DATATYPE(float, H5T_NATIVE_FLOAT); BOOSTSUB_H5_DATATYPE(double, H5T_NATIVE_DOUBLE); -#else -using hid_t = int; -using herr_t = int; -using hsize_t = std::size_t; -const int H5P_DEFAULT = 0; - -//return a non-sense integer -template -inline hid_t get_h5_datatype(const T&) -{ - return 0; -} - -#endif } // namespace qmcplusplus #endif