Add OpenMP support.

(Portage version: 2.2_rc12/cvs/Linux 2.6.28-rc3 x86_64)

2 files changed, 85 insertions, 1 deletions

diff --git a/sci-chemistry/shelx/ChangeLog b/sci-chemistry/shelx/ChangeLog
index 8e6411f711ba..15a847bda6b8 100644
--- a/sci-chemistry/shelx/ChangeLog
+++ b/sci-chemistry/shelx/ChangeLog
@@ -1,6 +1,12 @@
 # ChangeLog for sci-chemistry/shelx
 # Copyright 1999-2008 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/shelx/ChangeLog,v 1.11 2008/08/06 15:40:19 ulm Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/shelx/ChangeLog,v 1.12 2008/11/07 01:00:09 dberkholz Exp $
+
+*shelx-20060317-r1 (07 Nov 2008)
+
+  07 Nov 2008; Donnie Berkholz <dberkholz@gentoo.org>;
+  +shelx-20060317-r1.ebuild:
+  Add OpenMP support.
 
   06 Aug 2008; Ulrich Mueller <ulm@gentoo.org> metadata.xml:
   Add USE flag description to metadata wrt GLEP 56.
diff --git a/sci-chemistry/shelx/shelx-20060317-r1.ebuild b/sci-chemistry/shelx/shelx-20060317-r1.ebuild
new file mode 100644
index 000000000000..98a76dc212e1
--- /dev/null
+++ b/sci-chemistry/shelx/shelx-20060317-r1.ebuild
@@ -0,0 +1,78 @@
+# Copyright 1999-2008 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/shelx/shelx-20060317-r1.ebuild,v 1.1 2008/11/07 01:00:09 dberkholz Exp $
+
+inherit autotools eutils flag-o-matic fortran
+
+DESCRIPTION="Programs for crystal structure determination from single-crystal diffraction data"
+HOMEPAGE="http://shelx.uni-ac.gwdg.de/SHELX/"
+SRC_URI="${P}.tgz
+	openmp? ( ${P}-mp.tgz )"
+RESTRICT="fetch"
+LICENSE="free-noncomm"
+SLOT="0"
+KEYWORDS="~ppc ~x86"
+IUSE="dosformat openmp"
+RDEPEND=""
+DEPEND="${RDEPEND}"
+S="${WORKDIR}/unix"
+
+FORTRAN="ifc gfortran"
+
+pkg_nofetch() {
+	einfo "Go to ${HOMEPAGE}"
+	einfo "Fill out the application form, and send it in."
+	einfo "Download unix.tgz, rename it to ${P}.tgz,"
+	use openmp && einfo "download mp.tgz, rename it to ${P}-mp.tgz,"
+	einfo "and place renamed tarballs in ${DISTDIR}."
+}
+
+src_unpack() {
+	unpack ${A}
+	epatch ${FILESDIR}/${PV}-autotool.patch
+	epatch ${FILESDIR}/${PV}-gfortran.patch
+
+	if use openmp; then
+		for i in shelxh shelxlv; do
+			cp mp/${i}_omp.f unix/${i}.f
+		done
+	fi
+
+	sed -i \
+		-e "s:CIFDIR='/usr/local/bin/':CIFDIR='/usr/share/${PN}/':g" \
+		"${S}"/ciftab.f
+
+	if use dosformat; then
+		sed -i \
+			-e "s/KD=CHAR(32)/KD=CHAR(13)/g" \
+			"${S}"/*f
+	fi
+
+	cd "${S}"
+	eautoreconf
+}
+
+src_compile() {
+	case $(tc-getF77) in
+		gfortran) append-flags -fopenmp ;;
+		ifort) append-flags -openmp ;;
+		*) ewarn "Please add any necessary OpenMP build flags to F77FLAGS." ;;
+	esac
+
+	econf \
+		FC="${FORTRANC}" \
+		|| die "configure failed"
+	emake || die "make failed"
+}
+
+src_install() {
+	emake DESTDIR="${D}" install || die "install failed"
+}
+
+pkg_info() {
+	use openmp && einfo "Set OMP_NUM_THREADS to the number of threads you want."
+}
+
+pkg_postinst() {
+	pkg_info
+}