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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
32 lines
1.0 KiB
Plaintext
32 lines
1.0 KiB
Plaintext
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': 'intel', 'version': '2017a'}
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source_urls = ['http://www.tddft.org/programs/octopus/down.php?file=libxc/%(version)s/']
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sources = [SOURCE_TAR_GZ]
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configopts = '--enable-shared --enable-fortran'
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# From the libxc mailing list
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# To summarize: expect less tests to fail in libxc 2.0.2, but don't expect
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# a fully working testsuite soon (unless someone wants to volunteer to do
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# it, of course ) In the meantime, unless the majority of the tests
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# fail, your build should be fine.
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#runtest = 'check'
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sanity_check_paths = {
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'files': ['lib/libxc%s.%s' % (x,y) for x in ['', 'f90'] for y in ['a', SHLIB_EXT]],
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'dirs': ['include'],
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}
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#parallel = 1
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moduleclass = 'chem'
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