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Diffstat (limited to 'sci-chemistry/psi/psi-3.4.0-r2.ebuild')
-rw-r--r--sci-chemistry/psi/psi-3.4.0-r2.ebuild45
1 files changed, 24 insertions, 21 deletions
diff --git a/sci-chemistry/psi/psi-3.4.0-r2.ebuild b/sci-chemistry/psi/psi-3.4.0-r2.ebuild
index f40a13060173..2b73d442b470 100644
--- a/sci-chemistry/psi/psi-3.4.0-r2.ebuild
+++ b/sci-chemistry/psi/psi-3.4.0-r2.ebuild
@@ -1,9 +1,9 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
-EAPI=4
+EAPI=7
-inherit autotools-utils fortran-2 multilib toolchain-funcs
+inherit autotools fortran-2 toolchain-funcs
DESCRIPTION="Suite for ab initio quantum chemistry computing various molecular properties"
HOMEPAGE="http://www.psicode.org/"
@@ -12,17 +12,19 @@ SRC_URI="mirror://sourceforge/psicode/${P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
KEYWORDS="amd64 x86"
-IUSE="static-libs test"
-RESTRICT="!test? ( test )"
+IUSE="test"
+# psi3/psiclean segfault because tests were never run before
+RESTRICT="test"
RDEPEND="
!sci-visualization/extrema
virtual/blas
virtual/lapack
>=sci-libs/libint-1.1.4:1"
-DEPEND="${RDEPEND}
- virtual/pkgconfig
+DEPEND="${RDEPEND}"
+BDEPEND="
dev-util/byacc
+ virtual/pkgconfig
test? ( dev-lang/perl )"
S="${WORKDIR}/${PN}${PV:0:1}"
@@ -38,19 +40,21 @@ PATCHES=(
"${FILESDIR}"/${PV}-parallel_fix.patch
"${FILESDIR}"/${PV}-fortify.patch
"${FILESDIR}"/${P}-format-security.patch
- )
+ "${FILESDIR}"/${P}-perl-File-Temp.patch
+)
src_prepare() {
- autotools-utils_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
}
@@ -58,17 +62,15 @@ src_configure() {
# This variable gets set sometimes to /usr/lib/src and breaks stuff
unset CLIBS
- local myeconfargs=(
- --with-opt="${CXXFLAGS}"
- --datadir="${EPREFIX}"/usr/share/${PN}
- --with-blas="$($(tc-getPKG_CONFIG) blas --libs)"
+ econf \
+ --with-opt="${CXXFLAGS}" \
+ --datadir="${EPREFIX}"/usr/share/${PN} \
+ --with-blas="$($(tc-getPKG_CONFIG) --libs blas)" \
--with-lapack="$($(tc-getPKG_CONFIG) --libs lapack)"
- )
- autotools-utils_src_configure
}
src_compile() {
- autotools-utils_src_compile \
+ emake \
SCRATCH="${WORKDIR}/libint" \
DODEPEND="no" \
YACC=byacc
@@ -79,8 +81,9 @@ src_test() {
}
src_install() {
- autotools-utils_src_install DODEPEND="no"
- if ! use static-libs; then
- rm -f "${ED}"/usr/$(get_libdir)/*.a || die
- fi
+ emake DESTDIR="${D}" DODEPEND="no" install
+ einstalldocs
+
+ # convenience libraries
+ rm "${ED}"/usr/$(get_libdir)/*.a || die
}