# IT4Innovations 2017 easyblock = 'ConfigureMake' name = 'libxc' version = '3.0.0' 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': 'GCC', 'version': '6.3.0-2.27'} sources = [SOURCE_TAR_GZ] source_urls = ['https://www.cp2k.org/static/downloads'] #untest = 'check' modextravars = { 'LIBXC_CFLAGS':'-I\'%(installdir)s/include\'', 'LIBXC_LDFLAGS':'-L\'%(installdir)s/lib\' -Wl,-rpath=\'%(installdir)s/lib\'', 'LIBXC_LIBS':'-lxcf90 -lxc', } sanity_check_paths = { 'files': ['lib/libxc.a', 'lib/libxc.la', 'lib/libxcf03.a', 'lib/libxcf03.la', 'lib/libxcf90.a', 'lib/libxcf90.la'], 'dirs': ['include'], } moduleclass = 'chem'