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Merge pull request #21522 from PetrKralCZ/20241003081840_new_pr_XCFun211
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{chem}[GCCcore/12.3.0] XCFun v2.1.1
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jfgrimm authored Oct 3, 2024
2 parents b50b281 + 260efb7 commit e6c612d
Showing 1 changed file with 27 additions and 0 deletions.
27 changes: 27 additions & 0 deletions easybuild/easyconfigs/x/XCFun/XCFun-2.1.1-GCCcore-12.3.0.eb
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easyblock = 'CMakeMake'

name = 'XCFun'
version = '2.1.1'

homepage = 'https://xcfun.readthedocs.io'
description = """Arbitrary order exchange-correlation functional library"""

toolchain = {'name': 'GCCcore', 'version': '12.3.0'}

source_urls = ['https://github.com/dftlibs/xcfun/archive/']
sources = ['v%(version)s.tar.gz']
checksums = ['8b602df74c7be83d501532565deafd1b7881946d94789122f24c309a669298ab']

builddependencies = [
('binutils', '2.40'),
('CMake', '3.26.3')
]

modextravars = {'XCFun_DIR': '%(installdir)s/share/cmake/XCFun/'}

sanity_check_paths = {
'files': ['lib/libxcfun.%s' % SHLIB_EXT],
'dirs': ['include/XCFun']
}

moduleclass = 'chem'

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