From 933453c3b2bbd13e0813dfda50e2dc351b6bca48 Mon Sep 17 00:00:00 2001 From: Easy Build Date: Fri, 24 Mar 2017 13:25:05 +0100 Subject: [PATCH] # new file: l/libxc/libxc-3.0.0.eb --- l/libxc/libxc-3.0.0.eb | 31 +++++++++++++++++++++++++++++++ 1 file changed, 31 insertions(+) create mode 100644 l/libxc/libxc-3.0.0.eb diff --git a/l/libxc/libxc-3.0.0.eb b/l/libxc/libxc-3.0.0.eb new file mode 100644 index 00000000..f982a17c --- /dev/null +++ b/l/libxc/libxc-3.0.0.eb @@ -0,0 +1,31 @@ +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': 'dummy', 'version': ''} + +sources = [SOURCE_TAR_GZ] +source_urls = ['http://www.tddft.org/programs/octopus/down.php?file=libxc/'] + +configopts = 'FC="$F77" FCFLAGS="$FFLAGS" --enable-shared --enable-fortran' + +# 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%s.%s' % (x,y) for x in ['', 'f90'] for y in ['a', SHLIB_EXT]], + 'dirs': ['include'], +} + +parallel = 1 + +moduleclass = 'chem'