easyconfigs-it4i/e/ELPA/ELPA-2023.05.001-foss-2023a-CUDA-12.1.1.eb
Pavel Holba c4dc97e560 new file: d/DFTB+/DFTB+-24.1-foss-2023a-CUDA-12.1.1.eb
new file:   e/ELPA/ELPA-2020.11.001-foss-2023a-CUDA-12.1.1.eb
	new file:   e/ELPA/ELPA-2022.05.001-foss-2023a-CUDA-12.1.1.eb
	new file:   e/ELPA/ELPA-2023.05.001-foss-2023a-CUDA-12.1.1.eb
	new file:   e/ELSI/ELSI-2.11.0-foss-2023a-PEXSI-ELPA-2020.11.001-foss-2023a-CUDA-12.1.1.eb
	new file:   e/ELSI/ELSI-2.11.0-foss-2023a-PEXSI-ELPA-2022.05.001-foss-2023a-CUDA-12.1.1.eb
	new file:   e/ELSI/ELSI-2.11.0-foss-2023a-PEXSI-ELPA-2023.05.001-foss-2023a-CUDA-12.1.1.eb
	new file:   s/ScalapackFx/ScalapackFx-1.2-foss-2023a.eb
2024-12-02 09:05:11 +01:00

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# IT4Innovations
# PH 2024
name = 'ELPA'
version = '2023.05.001'
versionsuffix = '-CUDA-12.1.1'
homepage = 'https://elpa.mpcdf.mpg.de/'
description = """Eigenvalue SoLvers for Petaflop-Applications."""
toolchain = {'name': 'foss', 'version': '2023a'}
toolchainopts = {'openmp': True, 'usempi': True}
source_urls = ['https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/new_release_%(version)s/']
sources = ['elpa-new_release_%(version)s.tar.gz']
patches = [
'%(name)s-%(version)s_fix_hardcoded_perl_path.patch',
'%(name)s-%(version)s_fix_AVX512_support.patch',
]
checksums = [
{'%(namelower)s-new_release_%(version)s.tar.gz':
'7e07ca287ab07c0a73d97df71d5a5431c847b8e4d5c759aae99e12672e6decf3'},
{'%(name)s-%(version)s_fix_hardcoded_perl_path.patch':
'0548105065777a2ed07dde306636251c4f96e555a801647564de37d1ddd7b0b5'},
{'%(name)s-%(version)s_fix_AVX512_support.patch':
'ecf08b64fe1da432a218040fa45d4ecfbb3269d58cb018b12da5a2d854bf96be'},
]
builddependencies = [
('Autotools', '20220317'),
# remove_xcompiler script requires 'python' command,
('Python', '3.11.3'),
('Perl', '5.36.1'),
]
dependencies = [
('CUDA', '12.1.1', '', SYSTEM),
]
cuda_compute_capabilities = ['8.0']
preconfigopts = './autogen.sh && '
preconfigopts += 'export LDFLAGS="-lm $LDFLAGS" && '
preconfigopts += 'autoreconf && '
configopts = '--enable-nvidia-gpu '
configopts += '--with-nvidia-gpu-support-only '
# When building in parallel, the file test_setup_mpi.mod is sometimes
# used before it is built, leading to an error. This must be a bug in
# the makefile affecting parallel builds.
maxparallel = 1
moduleclass = 'math'