libxc/5.1.6-cpeGNU-21.09 (libxc-5.1.6-cpeGNU-21.09.eb)
This software is archived in the LUMI-SoftwareStack GitHub repository as easybuild/easyconfigs/__archive__/l/libxc/libxc-5.1.6-cpeGNU-21.09.eb. The corresponding module would be libxc/5.1.6-cpeGNU-21.09.
# contributed by Luca Marsella (CSCS)
# Modified by Peter Larsson (PDC) for LUMI
easyblock = 'CMakeMake'
name = 'libxc'
version = '5.1.6'
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."""
toolchain = {'name': 'cpeGNU', 'version': '21.09'}
toolchainopts = {'opt': True}
source_urls = ['https://gitlab.com/%(name)s/%(name)s/-/archive/%(version)s']
sources = [SOURCE_TAR_BZ2]
builddependencies = [ # Create a reproducible build environment.
('buildtools', '%(toolchain_version)s', '', True),
]
configopts = [
" -DENABLE_FORTRAN=ON -DCMAKE_INSTALL_LIBDIR=lib ",
" -DENABLE_FORTRAN=ON -DCMAKE_INSTALL_LIBDIR=lib -DBUILD_SHARED_LIBS=ON ",
]
sanity_check_paths = {
'files': ['lib/%(name)s.a', 'lib/%(name)s.so', 'lib/%(name)sf90.a', 'lib/%(name)sf90.so', 'lib/%(name)sf03.a', 'lib/%(name)sf03.so'],
'dirs': ['include'],
}
moduleclass = 'chem'