# IT4Innovations 2017

name = 'Libint'
version = '1.1.6'

homepage = 'https://sourceforge.net/p/libint/'
description = """Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body
 matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory."""

toolchain = {'name': 'GCC', 'version': '6.3.0-2.27'}
toolchainopts = {'pic': True}

sources = [SOURCELOWER_TAR_GZ]
source_urls = ['https://www.cp2k.org/static/downloads/']

builddependencies = [('Autotools', '20150215')]

#preconfigopts = "aclocal -I lib/autoconf && libtoolize && autoconf && "

configopts = '--with-libint-max-am=5 --with-libderiv-max-am1=4 --with-cc="$CC $CFLAGS" --with-cc-optflags="$CFLAGS" --with-cxx-optflags="$CXXFLAGS"'

modextravars = {
    'LIBINT_LDFLAGS':'-L\'%(installdir)s/lib\' -Wl,-rpath=\'%(installdir)s/lib\'',
    'LIBINT_CFLAGS':'-I\'%(installdir)s/include\'',
    'LIBINT_LIBS':'-lderiv -lint',
}


sanity_check_paths = {
    'files': ['include/lib%(x)s/lib%(x)s.h' % {'x': x} for x in ['deriv', 'int', 'r12']] +
             ['include/libint/hrr_header.h', 'include/libint/vrr_header.h'] +
             ['lib/lib%s.%s' % (x, y) for x in ['deriv', 'int', 'r12'] for y in ['a', SHLIB_EXT]],
    'dirs': [],
}

moduleclass = 'chem'