{toolchain}[NVHPC/23.7-CUDA-12.1.1] nvofbf-2023a

easybuild/easyconfigs/f/FlexiBLAS/FlexiBLAS-3.3.1-NVHPC-23.7-CUDA-12.1.1.eb

@@ -0,0 +1,75 @@
+easyblock = 'Bundle'
+
+name = 'FlexiBLAS'
+version = '3.3.1'
+
+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': 'NVHPC', 'version': '23.7-CUDA-12.1.1'}
+local_extra_flags = "-D__ELF__"
+toolchainopts = {'pic': True, 'extra_cflags': local_extra_flags, 'extra_fflags': local_extra_flags}
+
+builddependencies = [
+    ('CMake', '3.26.3'),
+    ('Python', '3.11.3'),  # required for running the tests
+]
+
+dependencies = [
+    ('OpenBLAS', '0.3.24'),
+]
+
+# note: first listed backend will be used as default by FlexiBLAS,
+# unless otherwise specified via easyconfig parameter flexiblas_default
+local_backends = ['OpenBLAS',]
+
+# imkl supplies its backend via the imkl module, not as a dependency
+if ARCH == 'x86_64':
+    local_backends.append('imkl')
+
+default_component_specs = {'start_dir': '%(namelower)s-%(version)s'}
+sanity_check_all_components = True
+
+# Also build and install LAPACKE, which FlexiBLAS does not support yet
+components = [
+    (name, version, {
+        'source_urls':
+        ['https://gitlab.mpi-magdeburg.mpg.de/api/v4/projects/386/packages/generic/flexiblas-source/v3.3.1/'],
+        'sources': [SOURCELOWER_TAR_GZ],
+        'patches': [
+            'FlexiBLAS-3.0.4_fix-imkl.patch',
+            'FlexiBLAS-3.0.4_fix-wrapper_blas_intel.patch',
+            'FlexiBLAS-3.0.4_remove-semicolon.patch',
+            'FlexiBLAS-3.2.0_remove-intel-suffix.patch',
+        ],
+        'checksums': [
+            'bbeebf5e5a006924558fec43f49affbe1aaa4cbacfc472a9ff6066ffda142e18',  # flexiblas-3.3.1.tar.gz
+            'a078e46ad126574cc42314abd5b40461cdc6e950af79d105dbf92875c254c87c',  # FlexiBLAS-3.0.4_fix-imkl.patch
+            # FlexiBLAS-3.0.4_fix-wrapper_blas_intel.patch
+            '30ae7d1edbcff2beb18bca9b751dcaf0bf9a996d41fbe669b0a11592ec01c7ac',
+            # FlexiBLAS-3.0.4_remove-semicolon.patch
+            'a3bbcff7aeca6f8bab989e7e3a8069f2b7b660e4559042221eecaa30dc0ce300',
+            # FlexiBLAS-3.2.0_remove-intel-suffix.patch
+            '98b70ac9b10c9e45cd7c2251f8b710cda704b04311b33b6fe1a56be51aa43bc4',
+        ],
+        # 'configopts': '-DABI=GNU',
+        # 'configopts': '-DABI=Intel',
+        'backends': local_backends,
+    }),
+    ('LAPACK', '3.11.0', {
+        'easyblock': 'CMakeMake',
+        'source_urls': ['https://github.com/Reference-LAPACK/lapack/archive/'],
+        'sources': ['v%(version)s.tar.gz'],
+        'checksums': ['4b9ba79bfd4921ca820e83979db76ab3363155709444a787979e81c22285ffa9'],
+        'configopts': ('-DBUILD_SHARED_LIBS=ON -DUSE_OPTIMIZED_BLAS=ON -DLAPACKE=ON '
+                       '-DUSE_OPTIMIZED_LAPACK=ON -DBUILD_DEPRECATED=ON '
+                       '-DCMAKE_INSTALL_INCLUDEDIR=%(installdir)s/include/flexiblas'),
+        'sanity_check_paths': {
+            'files': ['lib/liblapacke.%s' % SHLIB_EXT, 'include/flexiblas/lapacke.h'],
+            'dirs': [],
+        },
+    }),
+]
+
+moduleclass = 'lib'

easybuild/easyconfigs/n/nvofbf/nvofbf-2023a.eb

@@ -0,0 +1,26 @@
+easyblock = 'Toolchain'
+
+name = 'nvofbf'
+version = '2023a'
+
+homepage = '(none)'
+description = """NVHPC based toolchain, including OpenMPI for MPI support,
+OpenBLAS (via FlexiBLAS for BLAS and LAPACK support), FFTW and ScaLAPACK."""
+
+toolchain = SYSTEM
+
+local_cuda = '12.1.1'
+local_compiler = ('NVHPC', '23.7-CUDA-%s' % local_cuda)
+
+local_comp_mpi_tc = ('nvompi', '%(version)s')
+
+dependencies = [
+    local_compiler,
+    ('OpenMPI', '4.1.5', '', local_compiler),
+    ('FlexiBLAS', '3.3.1', '', local_compiler),
+    ('FFTW', '3.3.10', '', local_compiler),
+    ('FFTW.MPI', '3.3.10', '', local_comp_mpi_tc),
+    ('ScaLAPACK', '2.2.0', '-fb', local_comp_mpi_tc),
+]
+
+moduleclass = 'toolchain'

easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-nvompi-2023a-fb.eb

@@ -0,0 +1,43 @@
+name = 'ScaLAPACK'
+version = '2.2.0'
+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': 'nvompi', 'version': '2023a'}
+toolchainopts = {'extra_fflags': '-lpthread', 'openmp': True, 'pic': True, 'usempi': True}
+
+source_urls = [homepage]
+sources = [SOURCELOWER_TGZ]
+patches = ['ScaLAPACK-%(version)s_fix-GCC-10.patch']
+checksums = [
+    '40b9406c20735a9a3009d863318cb8d3e496fb073d201c5463df810e01ab2a57',  # scalapack-2.2.0.tgz
+    'f6bc3c6dee012ba4a696548a2e12b6aae932ce4fd5a142153b338839f52b5906',  # ScaLAPACK-2.2.0_fix-GCC-10.patch
+]
+
+local_gcc_compiler = ('GCCcore', '12.3.0')
+local_compiler = ('NVHPC', '23.7-CUDA-12.1.1')
+
+builddependencies = [
+    ('CMake', '3.26.3', '', local_gcc_compiler),
+]
+
+dependencies = [
+    ('FlexiBLAS', '3.3.1', '', local_compiler),
+]
+
+# 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
+
+sanity_check_paths = {
+    'files': ['lib/libscalapack.%s' % SHLIB_EXT, 'lib64/libscalapack.%s' % SHLIB_EXT],
+    'dirs': ["lib", "lib64"],
+}
+
+moduleclass = 'numlib'