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Merge pull request #22312 from Micket/20250214155957_new_pr_Atomsk0131
{chem}[gfbf/2024a] Atomsk v0.13.1
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easybuild/easyconfigs/a/Atomsk/Atomsk-0.13.1-gfbf-2024a.eb
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easyblock = 'MakeCp' | ||
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name = 'Atomsk' | ||
version = '0.13.1' | ||
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homepage = 'https://atomsk.univ-lille.fr' | ||
description = """ | ||
Atomsk is a free, Open Source command-line program dedicated to the creation, manipulation, and conversion of data | ||
files for atomic-scale simulations in the field of computational materials sciences | ||
""" | ||
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toolchain = {'name': 'gfbf', 'version': '2024a'} | ||
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source_urls = ['https://github.com/pierrehirel/atomsk/archive/refs/tags/'] | ||
sources = ['Beta-%(version)s.tar.gz'] | ||
checksums = ['8a4d40e16ee88268f3d498f854ec242b932f7f6b0f4b0c1a2b4e7b4e1b02b580'] | ||
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start_dir = 'src' | ||
buildopts = 'atomsk LAPACK=$LIBLAPACK' | ||
maxparallel = 1 | ||
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files_to_copy = [ | ||
(['src/atomsk'], 'bin'), | ||
] | ||
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sanity_check_paths = { | ||
'files': ['bin/atomsk'], | ||
'dirs': [], | ||
} | ||
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moduleclass = 'chem' |