Add OpenMP support.

Package-Manager: portage-2.2_rc12/cvs/Linux 2.6.28-rc3 x86_64

3 files changed, 92 insertions, 6 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/Manifest b/sci-chemistry/shelx/Manifest
index 80afce2021e7..cdf15c9c6a58 100644
--- a/sci-chemistry/shelx/Manifest
+++ b/sci-chemistry/shelx/Manifest
@@ -3,14 +3,16 @@ Hash: SHA1
 
 AUX 20060317-autotool.patch 1218 RMD160 789e9ce9292733ad8856c9faf37aaf8f35180fac SHA1 a4a1832d4ae927de5285badf2eecfecfd80ea9a0 SHA256 6c41666ddb019d8ad42413723247fd8cda76e0b754e8fdce5734a6a4ba5ba9b8
 AUX 20060317-gfortran.patch 686 RMD160 0834f5c562628db093e7cb7738be75b66b0a00d6 SHA1 58f748513c54805969d7a3155dedf4edb5a709ec SHA256 fc1b248bea13989383e12a24628c3330b781cb26b6135f2614323fad7d70cc17
+DIST shelx-20060317-mp.tgz 1208177 RMD160 c7cc95ab65b3ee9323e471ac60b861f246ff67df SHA1 1631237dafefb44a595b70eca71305679d569e96 SHA256 00c3254269404b704f8ceb5ee45c0ab71b57b4bbb04f1b72a188dd18ccced7d2
 DIST shelx-20060317.tgz 527162 RMD160 4a72471cca8a1df8839815ec7df35349817f7f31 SHA1 3ed6481e716059441253c84500965837deddf01b SHA256 8edb841fa71cae420e65fa87fdb3d829359a199aeead6522c72a08c4f72307d9
+EBUILD shelx-20060317-r1.ebuild 1794 RMD160 4bd742b151f8240361c8526e18fa8f3eff5c3b5e SHA1 70e32d1eee9b37f8f64c73eb1e6523389dd56f68 SHA256 c440da15eca1722535a6f09f29c85b10289ff430e1cd981e7e3f00f26a8ff660
 EBUILD shelx-20060317.ebuild 1322 RMD160 e31ba1ca09365d813c24fd668cb1683db3e19a2d SHA1 2a85ad26f3a6d36bb5ebdd4d7f14f36d3f2e9b18 SHA256 76dc5565640ea0642e5001dd0e8f4f7415168cc85a60c71a9505d1891aae4bf2
-MISC ChangeLog 1779 RMD160 fe3b85cd18791c8f6152023acc3de1a53fcdc4e6 SHA1 18dbfb1cdd2d6abdc8e980800ebcc79ab655a6eb SHA256 6cd5d4840d6e8e2158267009570162528d1455d39e5b2a158cdb347538639380
+MISC ChangeLog 1926 RMD160 9314302c84edfe8ac847ec2e92448f4c8b55553b SHA1 139b6b06de5ce124fdab87d4be65d6ec2b4e6d23 SHA256 1c3eaa416aa17822264d9aa4be58f67a46e48e85c28bb565effd09d8db4e72a6
 MISC metadata.xml 282 RMD160 16d508f4c6b6be0acbef265424b80ba31a6012f7 SHA1 edfb925bd075861e7045d34893ceb0fc48d87dd5 SHA256 0994e2adaeab98462d4ed63328b307a322f061794a4d06e8e5e68845050ddd13
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-Version: GnuPG v1.4.9 (GNU/Linux)
+Version: GnuPG v2.0.9 (GNU/Linux)
 
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-zJ8AoMk/VLr4QuTICwumEL0j28Zsy2iE
-=hwjH
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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
+}