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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
31 lines
904 B
Plaintext
31 lines
904 B
Plaintext
# IT4Innovations 2017
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easyblock = 'ConfigureMake'
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name = 'libxc'
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version = '3.0.0'
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homepage = 'http://www.tddft.org/programs/octopus/wiki/index.php/Libxc'
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description = """Libxc is a library of exchange-correlation functionals for density-functional theory.
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The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals."""
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toolchain = {'name': 'GCC', 'version': '6.3.0-2.27'}
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sources = [SOURCE_TAR_GZ]
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source_urls = ['https://www.cp2k.org/static/downloads']
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#untest = 'check'
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modextravars = {
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'LIBXC_CFLAGS':'-I\'%(installdir)s/include\'',
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'LIBXC_LDFLAGS':'-L\'%(installdir)s/lib\' -Wl,-rpath=\'%(installdir)s/lib\'',
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'LIBXC_LIBS':'-lxcf90 -lxc',
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}
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sanity_check_paths = {
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'files': ['lib/libxc.a', 'lib/libxc.la', 'lib/libxcf03.a', 'lib/libxcf03.la', 'lib/libxcf90.a', 'lib/libxcf90.la'],
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'dirs': ['include'],
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}
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moduleclass = 'chem'
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