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Merge pull request easybuilders#20833 from appolloford/20240616115337…
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…_new_pr_Critic212

{chem}[foss/2023a] Critic2 v1.2
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Micket authored Jun 17, 2024
2 parents c1837e4 + 92cb280 commit 78426c2
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37 changes: 37 additions & 0 deletions easybuild/easyconfigs/c/Critic2/Critic2-1.2-foss-2023a.eb
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easyblock = 'CMakeMake'

name = 'Critic2'
version = '1.2'

homepage = 'https://aoterodelaroza.github.io/critic2/'
description = """Critic2 is a program for the analysis of quantum mechanical
calculation results in molecules and periodic solids."""

toolchain = {'name': 'foss', 'version': '2023a'}
toolchainopts = {'extra_fflags': '-ffree-line-length-none'}

source_urls = ['https://github.com/aoterodelaroza/critic2/archive/refs/tags/']
sources = ['%(version)s.tar.gz']
checksums = ['b59ecffd83405dbcc4b5d157d4a94bf2756916f72e83e09a94d277d54d0f2225']

configopts = '-DLIBCINT_INCLUDE_DIRS=$EBROOTLIBCINT/include/ '
configopts += '-DLIBCINT_LIBRARY=$EBROOTLIBCINT/lib64/libcint.so '

builddependencies = [
('CMake', '3.26.3'),
]

dependencies = [
('libxc', '6.2.2'),
('libcint', '5.4.0'),
('libreadline', '8.2'),
]

sanity_check_paths = {
'files': ["bin/critic2"],
'dirs': ["bin"],
}

sanity_check_commands = ['critic2 -h']

moduleclass = 'chem'

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