define foss/2024a toolchain (copy of foss/2024.05)

easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2024a.eb

@@ -0,0 +1,19 @@
+name = 'FFTW.MPI'
+version = '3.3.10'
+
+homepage = 'https://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': '2024a'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = ['fftw-%(version)s.tar.gz']
+checksums = ['56c932549852cddcfafdab3820b0200c7742675be92179e59e6215b340e26467']
+
+dependencies = [('FFTW', '3.3.10')]
+
+runtest = 'check'
+
+moduleclass = 'numlib'

easybuild/easyconfigs/f/foss/foss-2024a.eb

@@ -0,0 +1,28 @@
+easyblock = 'Toolchain'
+
+name = 'foss'
+version = '2024a'
+
+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 = '13.3.0'
+
+# 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', '5.0.3', '', ('GCC', local_gccver)),
+    ('FlexiBLAS', '3.4.4', '', ('GCC', local_gccver)),
+    ('FFTW', '3.3.10', '', ('GCC', local_gccver)),
+    ('FFTW.MPI', '3.3.10', '', local_comp_mpi_tc),
+    ('ScaLAPACK', '2.2.0', '-fb', local_comp_mpi_tc),
+]
+
+moduleclass = 'toolchain'

easybuild/easyconfigs/g/gfbf/gfbf-2024a.eb

@@ -0,0 +1,20 @@
+easyblock = 'Toolchain'
+
+name = 'gfbf'
+version = '2024a'
+
+homepage = '(none)'
+description = """GNU Compiler Collection (GCC) based compiler toolchain, including
+ FlexiBLAS (BLAS and LAPACK support) and (serial) FFTW."""
+
+toolchain = SYSTEM
+
+local_gccver = '13.3.0'
+
+dependencies = [
+    ('GCC', local_gccver),
+    ('FlexiBLAS', '3.4.4', '', ('GCC', local_gccver)),
+    ('FFTW', '3.3.10', '', ('GCC', local_gccver)),
+]
+
+moduleclass = 'toolchain'

easybuild/easyconfigs/g/gompi/gompi-2024a.eb

@@ -0,0 +1,20 @@
+easyblock = 'Toolchain'
+
+name = 'gompi'
+version = '2024a'
+
+homepage = '(none)'
+description = """GNU Compiler Collection (GCC) based compiler toolchain,
+ including OpenMPI for MPI support."""
+
+toolchain = SYSTEM
+
+local_gccver = '13.3.0'
+
+# compiler toolchain dependencies
+dependencies = [
+    ('GCC', local_gccver),  # includes both GCC and binutils
+    ('OpenMPI', '5.0.3', '', ('GCC', local_gccver)),
+]
+
+moduleclass = 'toolchain'

easybuild/easyconfigs/h/HPL/HPL-2.3-foss-2024a.eb

@@ -0,0 +1,21 @@
+name = 'HPL'
+version = '2.3'
+
+homepage = 'https://www.netlib.org/benchmark/hpl/'
+description = """HPL is a software package that solves a (random) dense linear system in double precision (64 bits)
+ arithmetic on distributed-memory computers. It can thus be regarded as a portable as well as freely available
+ implementation of the High Performance Computing Linpack Benchmark."""
+
+toolchain = {'name': 'foss', 'version': '2024a'}
+toolchainopts = {'usempi': True}
+
+source_urls = ['https://www.netlib.org/benchmark/%(namelower)s']
+sources = [SOURCELOWER_TAR_GZ]
+# fix Make dependencies, so parallel build also works
+patches = ['HPL_parallel-make.patch']
+checksums = [
+    '32c5c17d22330e6f2337b681aded51637fb6008d3f0eb7c277b163fadd612830',  # hpl-2.3.tar.gz
+    '2a5bf9c4f328049828ddecec7ba3f05a9e25d236f4212747c53bd22fea80c5e6',  # HPL_parallel-make.patch
+]
+
+moduleclass = 'tools'

easybuild/easyconfigs/o/OSU-Micro-Benchmarks/OSU-Micro-Benchmarks-7.4-gompi-2024a.eb

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+easyblock = 'ConfigureMake'
+
+name = 'OSU-Micro-Benchmarks'
+version = '7.4'
+
+homepage = 'https://mvapich.cse.ohio-state.edu/benchmarks/'
+description = """OSU Micro-Benchmarks"""
+
+toolchain = {'name': 'gompi', 'version': '2024a'}
+toolchainopts = {'usempi': True}
+
+source_urls = ['https://mvapich.cse.ohio-state.edu/download/mvapich/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['1edd0c2efa61999409bfb28740a7f39689a5b42b1a1b4c66d1656e5637f7cefc']
+
+local_benchmark_dirs = [
+    'libexec/osu-micro-benchmarks/mpi/%s' % x for x in ['collective', 'one-sided', 'pt2pt', 'startup']
+]
+modextrapaths = {'PATH': local_benchmark_dirs}
+
+sanity_check_paths = {
+    'files': [],
+    'dirs': local_benchmark_dirs,
+}
+
+moduleclass = 'perf'

easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gompi-2024a-fb.eb

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+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': 'gompi', 'version': '2024a'}
+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
+]
+
+builddependencies = [
+    ('CMake', '3.29.3'),
+]
+
+dependencies = [
+    ('FlexiBLAS', '3.4.4'),
+]
+
+# 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
+
+sanity_check_paths = {
+    'files': ['lib/libscalapack.%s' % SHLIB_EXT, 'lib64/libscalapack.%s' % SHLIB_EXT],
+    'dirs': ["lib", "lib64"],
+}
+
+moduleclass = 'numlib'

easybuild/easyconfigs/s/SciPy-bundle/SciPy-bundle-2024.05-gfbf-2024a.eb

@@ -0,0 +1,97 @@
+easyblock = 'PythonBundle'
+
+name = 'SciPy-bundle'
+version = '2024.05'
+
+homepage = 'https://python.org/'
+description = "Bundle of Python packages for scientific software"
+
+toolchain = {'name': 'gfbf', 'version': '2024a'}
+toolchainopts = {'pic': True, 'lowopt': True}
+
+builddependencies = [
+    ('hypothesis', '6.103.1'),
+    ('UnZip', '6.0'),
+    # scipy >= 1.9.0 uses Meson/Ninja
+    ('Meson', '1.4.0'),
+    ('meson-python', '0.16.0'),
+    ('Ninja', '1.12.1'),
+    ('pkgconf', '2.2.0'),   # required by scipy
+]
+
+dependencies = [
+    ('Python', '3.12.3'),
+    ('Python-bundle-PyPI', '2024.06'),
+    ('pybind11', '2.12.0'),  # required by scipy
+]
+
+use_pip = True
+
+# order is important!
+exts_list = [
+    ('numpy', '1.26.4', {
+        'patches': ['numpy-1.22.3_disable-broken-override-test.patch'],
+        'checksums': [
+            {'numpy-1.26.4.tar.gz': '2a02aba9ed12e4ac4eb3ea9421c420301a0c6460d9830d74a9df87efa4912010'},
+            {'numpy-1.22.3_disable-broken-override-test.patch':
+             '9c589bb073b28b25ff45eb3c63c57966aa508dd8b318d0b885b6295271e4983c'},
+        ],
+    }),
+    ('ply', '3.11', {
+        'checksums': ['00c7c1aaa88358b9c765b6d3000c6eec0ba42abca5351b095321aef446081da3'],
+    }),
+    ('gast', '0.5.4', {
+        'checksums': ['9c270fe5f4b130969b54174de7db4e764b09b4f7f67ccfc32480e29f78348d97'],
+    }),
+    ('beniget', '0.4.1', {
+        'checksums': ['75554b3b8ad0553ce2f607627dad3d95c60c441189875b98e097528f8e23ac0c'],
+    }),
+    ('pythran', '0.16.1', {
+        'checksums': ['861748c0f9c7d422b32724b114b3817d818ed4eab86c09781aa0a3f7ceabb7f9'],
+    }),
+    ('versioneer', '0.29', {
+        'checksums': ['5ab283b9857211d61b53318b7c792cf68e798e765ee17c27ade9f6c924235731'],
+    }),
+    ('scipy', '1.13.1', {
+        'enable_slow_tests': True,
+        'ignore_test_result': False,
+        'patches': [
+            'scipy-1.11.1_disable-tests.patch',
+            'scipy-1.11.1_xfail-aarch64_test_maxiter_worsening.patch',
+        ],
+        'checksums': [
+            {'scipy-1.13.1.tar.gz': '095a87a0312b08dfd6a6155cbbd310a8c51800fc931b8c0b84003014b874ed3c'},
+            {'scipy-1.11.1_disable-tests.patch': '906bfb03397d94882ccdc1b93bc2c8e854e0e060c2d107c83042992394e6a4af'},
+            {'scipy-1.11.1_xfail-aarch64_test_maxiter_worsening.patch':
+             '918c8e6fa8215d459126f267764c961bde729ea4a116c7f6287cddfdc58ffcea'},
+        ],
+    }),
+    ('numexpr', '2.10.0', {
+        'patches': ['numexpr-2.10.0_fix-numpy-1.x.patch'],
+        'checksums': [
+            {'numexpr-2.10.0.tar.gz': 'c89e930752639df040539160326d8f99a84159bbea41943ab8e960591edaaef0'},
+            {'numexpr-2.10.0_fix-numpy-1.x.patch': '8d70b2e95579e6f0adc07bc615144f7657b3b607f9210ec328b6622458ca726d'},
+        ],
+    }),
+    ('Bottleneck', '1.3.8', {
+        'checksums': ['6780d896969ba7f53c8995ba90c87c548beb3db435dc90c60b9a10ed1ab4d868'],
+    }),
+    ('tzdata', '2024.1', {
+        'checksums': ['2674120f8d891909751c38abcdfd386ac0a5a1127954fbc332af6b5ceae07efd'],
+    }),
+    ('pandas', '2.2.2', {
+        'preinstallopts': "export PANDAS_CI=0 && ",
+        'checksums': ['9e79019aba43cb4fda9e4d983f8e88ca0373adbb697ae9c6c43093218de28b54'],
+    }),
+    ('mpmath', '1.3.0', {
+        'checksums': ['7a28eb2a9774d00c7bc92411c19a89209d5da7c4c9a9e227be8330a23a25b91f'],
+    }),
+    ('deap', '1.4.1', {
+        'modulename': 'deap.base',
+        'checksums': ['cc01de9892dfa7d1bc9803dab28892fead177f0182c81db47360a240ead778ff'],
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'lang'