Merge pull request #13788 from branfosj/20210821161840_new_pr_FFTW339

{toolchain} foss/2021.07

easybuild/easyconfigs/f/FFTW/FFTW-3.3.9-gompi-2021.07.eb

@@ -0,0 +1,17 @@
+name = 'FFTW'
+version = '3.3.9'
+
+homepage = 'http://www.fftw.org'
+description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
+ in one or more dimensions, of arbitrary input size, and of both real and complex data."""
+
+toolchain = {'name': 'gompi', 'version': '2021.07'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['bf2c7ce40b04ae811af714deb512510cc2c17b9ab9d6ddcf49fe4487eea7af3d']
+
+runtest = 'check'
+
+moduleclass = 'numlib'

easybuild/easyconfigs/f/FlexiBLAS/FlexiBLAS-3.0.4-GCC-11.2.0.eb

@@ -0,0 +1,27 @@
+name = 'FlexiBLAS'
+version = '3.0.4'
+
+homepage = 'https://gitlab.mpi-magdeburg.mpg.de/software/flexiblas-release'
+description = """FlexiBLAS is a wrapper library that enables the exchange of the BLAS and LAPACK implementation
+used by a program without recompiling or relinking it."""
+
+toolchain = {'name': 'GCC', 'version': '11.2.0'}
+local_extra_flags = "-fstack-protector-strong -fstack-clash-protection"
+toolchainopts = {'pic': True, 'extra_cflags': local_extra_flags, 'extra_fflags': local_extra_flags}
+
+source_urls = ['https://csc.mpi-magdeburg.mpg.de/mpcsc/software/flexiblas/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['50a88f2e88994dda91b2a2621850afd9654b3b84820e737e335687a46751be5c']
+
+builddependencies = [
+    ('CMake', '3.21.1'),
+    ('Python', '3.9.6'),  # required for running the tests
+]
+
+# note: first listed library will be used as default by FlexiBLAS,
+# unless otherwise specified via easyconfig parameter flexiblas_default
+dependencies = [
+    ('OpenBLAS', '0.3.17'),
+]
+
+moduleclass = 'lib'

easybuild/easyconfigs/f/foss/foss-2021.07.eb

@@ -0,0 +1,27 @@
+easyblock = 'Toolchain'
+
+name = 'foss'
+version = '2021.07'
+
+homepage = 'https://easybuild.readthedocs.io/en/master/Common-toolchains.html#foss-toolchain'
+description = """GNU Compiler Collection (GCC) based compiler toolchain, including
+ OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK."""
+
+toolchain = SYSTEM
+
+local_gccver = '11.2.0'
+
+# toolchain used to build foss dependencies
+local_comp_mpi_tc = ('gompi', version)
+
+# we need GCC and OpenMPI as explicit dependencies instead of gompi toolchain
+# because of toolchain preparation functions
+dependencies = [
+    ('GCC', local_gccver),
+    ('OpenMPI', '4.1.1', '', ('GCC', local_gccver)),
+    ('FlexiBLAS', '3.0.4', '', ('GCC', local_gccver)),
+    ('FFTW', '3.3.9', '', local_comp_mpi_tc),
+    ('ScaLAPACK', '2.1.0', '-fb', local_comp_mpi_tc),
+]
+
+moduleclass = 'toolchain'

easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.1.0-gompi-2021.07-fb.eb

@@ -0,0 +1,43 @@
+name = 'ScaLAPACK'
+version = '2.1.0'
+versionsuffix = '-fb'
+
+homepage = 'https://www.netlib.org/scalapack/'
+description = """The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines
+ redesigned for distributed memory MIMD parallel computers."""
+
+toolchain = {'name': 'gompi', 'version': '2021.07'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = [SOURCELOWER_TGZ]
+patches = ['ScaLAPACK-%(version)s_fix-GCC-10.patch']
+checksums = [
+    '61d9216cf81d246944720cfce96255878a3f85dec13b9351f1fa0fd6768220a6',  # scalapack-2.1.0.tgz
+    'bbb713c9fcabac802811c7f2c3a957c2d5d19dfd118ed1f6578c1436b82c7c43',  # ScaLAPACK-2.1.0_fix-GCC-10.patch
+]
+
+builddependencies = [
+    ('CMake', '3.21.1'),
+]
+
+dependencies = [
+    ('FlexiBLAS', '3.0.4'),
+]
+
+# Config Opts based on AOCL User Guide:
+# https://developer.amd.com/wp-content/resources/AOCL_User%20Guide_2.2.pdf
+
+configopts = '-DBUILD_SHARED_LIBS=ON '
+configopts += '-DBLAS_LIBRARIES="$EBROOTFLEXIBLAS/lib/libflexiblas.%s" ' % SHLIB_EXT
+configopts += '-DLAPACK_LIBRARIES="$EBROOTFLEXIBLAS/lib/libflexiblas.%s" ' % SHLIB_EXT
+configopts += '-DCMAKE_C_COMPILER=mpicc '
+configopts += '-DCMAKE_Fortran_COMPILER=mpif90 '
+configopts += '-DCMAKE_Fortran_FLAGS="-lpthread -fopenmp $DCMAKE_Fortran_FLAGS" '
+
+sanity_check_paths = {
+    'files': ['lib/libscalapack.%s' % SHLIB_EXT, 'lib64/libscalapack.%s' % SHLIB_EXT],
+    'dirs': ["lib", "lib64"],
+}
+
+moduleclass = 'numlib'