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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
37 lines
1.3 KiB
Plaintext
37 lines
1.3 KiB
Plaintext
# IT4Innovations 2017
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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': 'GCC', 'version': '6.3.0-2.27'}
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toolchainopts = {'pic': True}
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sources = [SOURCELOWER_TAR_GZ]
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source_urls = ['https://www.cp2k.org/static/downloads/']
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builddependencies = [('Autotools', '20150215')]
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#preconfigopts = "aclocal -I lib/autoconf && libtoolize && autoconf && "
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configopts = '--with-libint-max-am=5 --with-libderiv-max-am1=4 --with-cc="$CC $CFLAGS" --with-cc-optflags="$CFLAGS" --with-cxx-optflags="$CXXFLAGS"'
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modextravars = {
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'LIBINT_LDFLAGS':'-L\'%(installdir)s/lib\' -Wl,-rpath=\'%(installdir)s/lib\'',
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'LIBINT_CFLAGS':'-I\'%(installdir)s/include\'',
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'LIBINT_LIBS':'-lderiv -lint',
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}
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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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