libxc-2.0.1-goolf-1.4.10.eb 1.07 KB
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easyblock = 'ConfigureMake'

name = 'libxc'
version = '2.0.1'

homepage = 'http://www.tddft.org/programs/octopus/wiki/index.php/Libxc'
description = """Libxc is a library of exchange-correlation functionals for density-functional theory.
 The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals."""

sources = [SOURCE_TAR_GZ]
source_urls = ['http://www.tddft.org/programs/octopus/down.php?file=libxc/']

toolchain = {'name': 'goolf', 'version': '1.4.10'}
toolchainopts = {'opt': True}

configopts = 'FC="$F77" FCFLAGS="$FFLAGS" --enable-shared'

# From the libxc mailing list
# To summarize: expect less tests to fail in libxc 2.0.2, but don't expect
# a fully working testsuite soon (unless someone wants to volunteer to do
# it, of course  ) In the meantime, unless the majority of the tests
# fail, your build should be fine.
#runtest = 'check'

patches = ['libxc-%(version)s-fix-initialization.patch']

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

parallel = 1

moduleclass = 'chem'