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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
28 lines
1012 B
Plaintext
28 lines
1012 B
Plaintext
name = 'Libint'
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version = '1.1.6'
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homepage = 'https://sourceforge.net/p/libint/'
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description = """Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body
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matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory."""
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toolchain = {'name': 'intel', 'version': '2017a'}
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toolchainopts = {'pic': True}
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sources = ['release-%s.tar.gz' % '-'.join(version.split('.'))]
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source_urls = ['https://github.com/evaleev/libint/archive/']
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builddependencies = [('Autotools', '20150215')]
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preconfigopts = "aclocal -I lib/autoconf && libtoolize && autoconf && "
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configopts = "--enable-deriv --enable-r12"
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sanity_check_paths = {
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'files': ['include/lib%(x)s/lib%(x)s.h' % {'x': x} for x in ['deriv', 'int', 'r12']] +
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['include/libint/hrr_header.h', 'include/libint/vrr_header.h'] +
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['lib/lib%s.%s' % (x, y) for x in ['deriv', 'int', 'r12'] for y in ['a', SHLIB_EXT]],
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'dirs': [],
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}
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moduleclass = 'chem'
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