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58411e55a1
new file: b/byacc/byacc-20170509.eb new file: c/CP2K/CP2K-5.1-intel-2017a.eb new file: g/GMP/GMP-5.0.5.eb new file: g/guile/guile-1.8.8.eb new file: l/Libint/Libint-1.1.6-intel-2017a.eb new file: l/libmatheval/libmatheval-1.1.11.eb new file: l/libtool/libtool-2.4.2.eb new file: l/libxc/libxc-2.2.2-intel-2017a.eb new file: l/libxsmm/libxsmm-1.6.4-intel-2017a.eb new file: l/libxsmm/libxsmm-1.6.4.eb new file: p/PLUMED/PLUMED-2.3.0-intel-2017a.eb deleted: b/byacc/byacc-20160606.eb
35 lines
1.0 KiB
Plaintext
35 lines
1.0 KiB
Plaintext
# IT4Innovations 2017
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easyblock = 'ConfigureMake'
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name = 'libxc'
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version = '2.2.2'
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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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toolchainopts = {'opt': True}
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sources = [SOURCE_TAR_GZ]
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source_urls = ['http://www.tddft.org/programs/octopus/down.php?file=libxc']
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configopts = 'FC="$F77" FCFLAGS="$FFLAGS" --enable-shared'
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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.a', 'lib/libxc.%s' % 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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