easyconfigs-it4i/e/ELPA/ELPA-2020.11.001-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
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# IT4Innovations
# PH 2024
name = 'ELPA'
version = '2020.11.001'
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://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/%(version)s/']
sources = [SOURCELOWER_TAR_GZ]
checksums = ['15591f142eeaa98ab3201d27ca9ac328e21beabf0803b011a04183fcaf6efdde']
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']
configopts = '--enable-nvidia-gpu '
# 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'