easyblock = 'ConfigureMake' name = 'libxc' version = '2.2.2' 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': 'intel', 'version': '2015a'} toolchainopts = {'opt': True} sources = [SOURCE_TAR_GZ] source_urls = ['http://www.tddft.org/programs/octopus/down.php?file=libxc/'] 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' sanity_check_paths = { 'files': ['lib/libxc.a', 'lib/libxc.%s' % SHLIB_EXT], 'dirs': ['include'], } parallel = 1 moduleclass = 'chem'