|
|
|
# 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
|
|
|
|
}
|