# 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'
