gentoo resync : 20.03.2022

1 files changed, 81 insertions, 0 deletions

diff --git a/sci-chemistry/molden/molden-6.9.ebuild b/sci-chemistry/molden/molden-6.9.ebuild
new file mode 100644
index 000000000000..df6e76dbfe75
--- /dev/null
+++ b/sci-chemistry/molden/molden-6.9.ebuild
@@ -0,0 +1,81 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+inherit desktop fortran-2 flag-o-matic toolchain-funcs
+
+MY_P="${PN}${PV}"
+
+DESCRIPTION="Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac"
+HOMEPAGE="https://www.theochem.ru.nl/molden/"
+SRC_URI="ftp://ftp.science.ru.nl/pub/Molden/${MY_P}.tar.gz"
+S="${WORKDIR}/${MY_P}"
+
+LICENSE="MOLDEN"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="opengl"
+
+RDEPEND="
+	x11-libs/libXmu
+	opengl? (
+		media-libs/freeglut
+		virtual/opengl
+		virtual/glu
+	)
+"
+DEPEND="${RDEPEND}
+	x11-misc/gccmakedep
+	app-editors/vim"
+	# vim provides ex, which the build system uses (surf/Makefile, at least)
+
+PATCHES=(
+	"${FILESDIR}/${P}-ldflags.patch"
+)
+
+src_prepare() {
+	default
+	sed \
+		-e 's:makedepend:gccmakedep:g' \
+		-i src/surf/Makefile || die
+	sed 's:shell g77:shell $(FC):g' -i makefile || die
+}
+
+src_compile() {
+	local args=()
+
+	# Use -mieee on alpha, according to the Makefile
+	use alpha && append-flags -mieee
+
+	# GCC 10 workaround
+	# bug #724556
+	append-fflags $(test-flags-FC -fallow-argument-mismatch)
+
+	args=(
+		CC="$(tc-getCC) ${CFLAGS}"
+		FC="$(tc-getFC)"
+		LDR="$(tc-getFC)"
+		FFLAGS="${FFLAGS}"
+	)
+
+	einfo "Building Molden..."
+	emake -j1 molden ambfor/ambfor ambfor/ambmd surf/surf "${args[@]}"
+	if use opengl ; then
+		einfo "Building Molden OpenGL helper..."
+		emake -j1 "${args[@]}" gmolden
+	fi
+}
+
+src_install() {
+	dobin bin/molden bin/ambfor bin/ambmd bin/surf
+	if use opengl; then
+		dobin bin/gmolden
+		doicon -s 64 haux/gmolden.png
+		make_desktop_entry gmolden MOLDEN gmolden
+	fi
+
+	dodoc HISTORY README REGISTER
+	cd doc || die
+	uncompress * && dodoc *
+}