mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-07 23:42:12 +01:00
f7c3a2c02a
new file: c/CP2K/CP2K-4.1-intel-2017a.eb new file: c/CP2K/CP2K-5.1-intel-2017a-dev.eb new file: c/CP2K/CP2K-5.1-intel-2017a-test.eb new file: c/CP2K/CP2K-5.1-intel-2017a-test2.eb new file: l/Libint/Libint-1.1.6-GCC-6.3.0-2.27.eb new file: l/libsmm/libsmm-2015-11-10.eb new file: l/libxc/libxc-3.0.0-GCC-6.3.0-2.27.eb modified: l/libxc/libxc-3.0.0-intel-2017a.eb modified: l/libxc/libxc-4.0.1-GCC-6.3.0-2.27.eb modified: l/libxc/libxc-4.0.1.eb new file: l/libxc/libxc-4.0.2-GCC-6.3.0-2.27.eb new file: l/libxc/libxc-4.0.2-intel-2017a.eb new file: l/libxsmm/libxsmm-1.7.1-GCC-6.3.0-2.27.eb new file: o/opencv-python/opencv-python-3.3.0.10-Python-3.6.1.eb deleted: l/libxc/libxc-4.0.1-intel-2017a.eb
45 lines
1.3 KiB
Plaintext
45 lines
1.3 KiB
Plaintext
# IT4Innovations 2017
|
|
|
|
easyblock = 'ConfigureMake'
|
|
|
|
name = 'libxc'
|
|
version = '4.0.2'
|
|
|
|
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': '2017a'}
|
|
toolchainopts = {'lowopt': True, 'pic' : True, 'opt' : True}
|
|
|
|
source_urls = ['http://www.tddft.org/programs/octopus/down.php?file=libxc/%(version)s/']
|
|
sources = [SOURCE_TAR_GZ]
|
|
|
|
builddependencies = [
|
|
('Autoconf', '2.69', '', True),
|
|
('libtool', '2.4.6'),
|
|
]
|
|
|
|
configopts = 'CXXFLAGS="-O2 -fPIC" CFLAGS="-O2 -fPIC" FC=mpiifort --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'],
|
|
}
|
|
|
|
postinstallcmds = [
|
|
'cp src/util.h %(installdir)s/include',
|
|
'cp testsuite/ %(installdir)s/testsuite -R',
|
|
]
|
|
|
|
parallel = 1
|
|
|
|
moduleclass = 'chem'
|