easyconfigs-it4i/b/BEEF/BEEF-0.1.1-intel-2018a.eb
Lukáš Krupčík 2e5ca41e17 modified: b/BEEF/BEEF-0.1.1-intel-2018a.eb
modified:   b/BEEF/BEEF-0.1.1-intel-2020.eb
2020-12-21 13:20:22 +01:00

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# IT4Innovations 2020
# LK
easyblock = 'ConfigureMake'
name = 'BEEF'
version = '0.1.1'
homepage = 'http://suncat.stanford.edu/facility/software/functional'
description = """BEEF is a library-based implementation of the Bayesian
Error Estimation Functional, suitable for linking against by Fortran-
or C-based DFT codes. A description of BEEF can be found at
http://dx.doi.org/10.1103/PhysRevB.85.235149."""
toolchain = {'name': 'intel', 'version': '2018a'}
toolchainopts = {'openmp': False, 'usempi': False}
source_urls = ['https://confluence.slac.stanford.edu/download/attachments/146704476']
sources = ['libbeef-%(version)s.tar.gz']
configopts = 'CC="$CC"'
sanity_check_paths = {
'files': ['bin/bee', 'lib/libbeef.a'],
'dirs': [],
}
moduleclass = 'chem'