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# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
inherit autotools fortran-2 toolchain-funcs
DESCRIPTION="Suite for ab initio quantum chemistry computing various molecular properties"
HOMEPAGE="http://www.psicode.org/"
SRC_URI="mirror://sourceforge/psicode/${P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
KEYWORDS="amd64 x86"
IUSE="test"
# psi3/psiclean segfault because tests were never run before
RESTRICT="test"
RDEPEND="
!sci-visualization/extrema
virtual/blas
virtual/lapack
>=sci-libs/libint-1.1.4:1"
DEPEND="${RDEPEND}"
BDEPEND="
dev-util/byacc
virtual/pkgconfig
test? ( dev-lang/perl )"
S="${WORKDIR}/${PN}${PV:0:1}"
PATCHES=(
"${FILESDIR}"/${PV}-dont-build-libint.patch
"${FILESDIR}"/use-external-libint.patch
"${FILESDIR}"/${PV}-gcc-4.3.patch
"${FILESDIR}"/${PV}-destdir.patch
"${FILESDIR}"/${P}-parallel-make.patch
"${FILESDIR}"/${PV}-man_paths.patch
"${FILESDIR}"/${PV}-ldflags.patch
"${FILESDIR}"/${PV}-parallel_fix.patch
"${FILESDIR}"/${PV}-fortify.patch
"${FILESDIR}"/${P}-format-security.patch
"${FILESDIR}"/${P}-perl-File-Temp.patch
)
src_prepare() {
default
# Broken test
sed \
-e 's:scf-mvd-opt ::g' \
-e 's:scf-mvd-opt-puream ::g' \
-i tests/Makefile.in || die
sed \
-e "/LIBPATTERNS/d" \
-i src/{bin,util,samples}/MakeVars.in || die
eautoreconf
}
src_configure() {
# This variable gets set sometimes to /usr/lib/src and breaks stuff
unset CLIBS
econf \
--with-opt="${CXXFLAGS}" \
--datadir="${EPREFIX}"/usr/share/${PN} \
--with-blas="$($(tc-getPKG_CONFIG) --libs blas)" \
--with-lapack="$($(tc-getPKG_CONFIG) --libs lapack)"
}
src_compile() {
emake \
SCRATCH="${WORKDIR}/libint" \
DODEPEND="no" \
YACC=byacc
}
src_test() {
emake EXECDIR="${S}"/bin TESTFLAGS="" -j1 tests
}
src_install() {
emake DESTDIR="${D}" DODEPEND="no" install
einstalldocs
# convenience libraries
rm "${ED}"/usr/$(get_libdir)/*.a || die
}
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