New program for X-ray crystallographic structure determination.

(Portage version: 2.1_rc4-r1)

6 files changed, 141 insertions, 0 deletions

diff --git a/sci-chemistry/shelx/ChangeLog b/sci-chemistry/shelx/ChangeLog
new file mode 100644
index 000000000000..3e862a81c0d7
--- /dev/null
+++ b/sci-chemistry/shelx/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/shelx
+# Copyright 1999-2006 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/shelx/ChangeLog,v 1.1 2006/06/05 09:01:43 spyderous Exp $
+
+*shelx-20060317 (05 Jun 2006)
+
+  05 Jun 2006; Donnie Berkholz <spyderous@gentoo.org>;
+  +files/20060317-autotool.patch, +metadata.xml, +shelx-20060317.ebuild:
+  New program for X-ray crystallographic structure determination.
+
diff --git a/sci-chemistry/shelx/Manifest b/sci-chemistry/shelx/Manifest
new file mode 100644
index 000000000000..faa9151695c9
--- /dev/null
+++ b/sci-chemistry/shelx/Manifest
@@ -0,0 +1,20 @@
+AUX 20060317-autotool.patch 1207 RMD160 705ac9dd8ed95f3c5721fdd42aa59e14b1b65271 SHA1 d43b0b85d021a578e389b6d5b3f0cde7d835f863 SHA256 880b6eb77f528d32ac4bd55354c86bce3e1c236dd0cbd338d034594b6841bedb
+MD5 068645b04579adcda862d66c9548d555 files/20060317-autotool.patch 1207
+RMD160 705ac9dd8ed95f3c5721fdd42aa59e14b1b65271 files/20060317-autotool.patch 1207
+SHA256 880b6eb77f528d32ac4bd55354c86bce3e1c236dd0cbd338d034594b6841bedb files/20060317-autotool.patch 1207
+DIST shelx-20060317.tgz 527162 RMD160 4a72471cca8a1df8839815ec7df35349817f7f31 SHA1 3ed6481e716059441253c84500965837deddf01b SHA256 8edb841fa71cae420e65fa87fdb3d829359a199aeead6522c72a08c4f72307d9
+EBUILD shelx-20060317.ebuild 1068 RMD160 8e9650805ef7a60710874e08204739f77f9e6b42 SHA1 4cdedf481b4d2597d61eae212e3e8082cf42f2ed SHA256 e3afdf81d6022af35de19dae57cf152ffeab1615539cf84d59454ab2a1dbe349
+MD5 5f4167d9067edde1813328f54ebaa224 shelx-20060317.ebuild 1068
+RMD160 8e9650805ef7a60710874e08204739f77f9e6b42 shelx-20060317.ebuild 1068
+SHA256 e3afdf81d6022af35de19dae57cf152ffeab1615539cf84d59454ab2a1dbe349 shelx-20060317.ebuild 1068
+MISC ChangeLog 346 RMD160 5bd9c8482a7c92abc4b80c693fc6c4324ed4058e SHA1 b73b5fef36cd4fa10851eb82061c04ceb7df8f60 SHA256 1a2873e3727495681bcd4dd1e5a1039eb4057d80af31d0e80e7f6f2bba6a8f3d
+MD5 fae03fb1aed33df0d03190cdf51124fa ChangeLog 346
+RMD160 5bd9c8482a7c92abc4b80c693fc6c4324ed4058e ChangeLog 346
+SHA256 1a2873e3727495681bcd4dd1e5a1039eb4057d80af31d0e80e7f6f2bba6a8f3d ChangeLog 346
+MISC metadata.xml 248 RMD160 6488d9f1ef3e05e6ac5a29ddcc818e5ead0a5230 SHA1 75a648fddef9922cdfe21fb0298a1c746190fd82 SHA256 de0ad7dc383b462c407cae015684d27c090455eac87c6f0f9ff581ef6e0b5b27
+MD5 af1bfbb0777267a03e889b08173f2757 metadata.xml 248
+RMD160 6488d9f1ef3e05e6ac5a29ddcc818e5ead0a5230 metadata.xml 248
+SHA256 de0ad7dc383b462c407cae015684d27c090455eac87c6f0f9ff581ef6e0b5b27 metadata.xml 248
+MD5 e99ebbc19884243116aa2f396f97b2f8 files/digest-shelx-20060317 235
+RMD160 0161929023f7e97f0c0f7840a57880749b15935f files/digest-shelx-20060317 235
+SHA256 f8eec197b6760fb2a8caa66869c8dfae0f8fe1efcda63ea2296c834138542b14 files/digest-shelx-20060317 235
diff --git a/sci-chemistry/shelx/files/20060317-autotool.patch b/sci-chemistry/shelx/files/20060317-autotool.patch
new file mode 100644
index 000000000000..3e08bfabaa4e
--- /dev/null
+++ b/sci-chemistry/shelx/files/20060317-autotool.patch
@@ -0,0 +1,47 @@
+diff -urN unix.orig/configure.ac unix/configure.ac
+--- unix.orig/configure.ac	1969-12-31 16:00:00.000000000 -0800
++++ unix/configure.ac	2006-06-04 22:31:49.000000000 -0700
+@@ -0,0 +1,12 @@
++#                                               -*- Autoconf -*-
++# Process this file with autoconf to produce a configure script.
++
++AC_PREREQ(2.59)
++AC_INIT(shelx, 20060317, https://bugs.gentoo.org/)
++AC_CONFIG_SRCDIR([ciftab.f])
++AM_INIT_AUTOMAKE([foreign])
++
++# Checks for programs.
++AC_PROG_FC
++
++AC_OUTPUT([Makefile])
+diff -urN unix.orig/Makefile.am unix/Makefile.am
+--- unix.orig/Makefile.am	1969-12-31 16:00:00.000000000 -0800
++++ unix/Makefile.am	2006-06-04 23:06:39.000000000 -0700
+@@ -0,0 +1,27 @@
++bin_PROGRAMS = \
++	ciftab \
++	shelxa \
++	shelxc \
++	shelxd \
++	shelxe \
++	shelxh \
++	shelxl \
++	shelxpro \
++	shelxs \
++	shelxwat
++
++dist_pkgdata_DATA = \
++	ciftab.def \
++	ciftab.rta \
++	ciftab.rtm
++
++ciftab_SOURCES = ciftab.f
++shelxa_SOURCES = shelxa.f
++shelxc_SOURCES = shelxc.f
++shelxd_SOURCES = shelxd.f
++shelxe_SOURCES = shelxe.f
++shelxh_SOURCES = shelxh.f shelxlv.f
++shelxl_SOURCES = shelxl.f shelxlv.f
++shelxpro_SOURCES = shelxpro.f
++shelxs_SOURCES = shelxs.f shelxsv.f
++shelxwat_SOURCES = shelxwat.f
diff --git a/sci-chemistry/shelx/files/digest-shelx-20060317 b/sci-chemistry/shelx/files/digest-shelx-20060317
new file mode 100644
index 000000000000..3869cbfbe331
--- /dev/null
+++ b/sci-chemistry/shelx/files/digest-shelx-20060317
@@ -0,0 +1,3 @@
+MD5 9fc6a1ba140a08dd11c51f3c1ec6ce80 shelx-20060317.tgz 527162
+RMD160 4a72471cca8a1df8839815ec7df35349817f7f31 shelx-20060317.tgz 527162
+SHA256 8edb841fa71cae420e65fa87fdb3d829359a199aeead6522c72a08c4f72307d9 shelx-20060317.tgz 527162
diff --git a/sci-chemistry/shelx/metadata.xml b/sci-chemistry/shelx/metadata.xml
new file mode 100644
index 000000000000..211b8bd0f0a4
--- /dev/null
+++ b/sci-chemistry/shelx/metadata.xml
@@ -0,0 +1,9 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+<herd>sci</herd>
+<maintainer>
+<email>spyderous@gentoo.org</email>
+<name>Donnie Berkholz</name>
+</maintainer>
+</pkgmetadata>
diff --git a/sci-chemistry/shelx/shelx-20060317.ebuild b/sci-chemistry/shelx/shelx-20060317.ebuild
new file mode 100644
index 000000000000..96c08dd988a2
--- /dev/null
+++ b/sci-chemistry/shelx/shelx-20060317.ebuild
@@ -0,0 +1,52 @@
+# Copyright 1999-2006 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/shelx/shelx-20060317.ebuild,v 1.1 2006/06/05 09:01:43 spyderous Exp $
+
+inherit autotools eutils fortran
+
+MY_P="unix"
+MY_SRC_URI="${MY_P}.tgz"
+
+DESCRIPTION="Programs for crystal structure determination from single-crystal diffraction data"
+HOMEPAGE="http://shelx.uni-ac.gwdg.de/SHELX/"
+SRC_URI="${P}.tgz"
+RESTRICT="fetch"
+LICENSE="free-noncomm"
+SLOT="0"
+KEYWORDS="~x86"
+IUSE=""
+RDEPEND=""
+DEPEND="${RDEPEND}"
+S="${WORKDIR}/${MY_P}"
+
+FORTRAN="ifc"
+
+pkg_nofetch() {
+	einfo "Go to ${HOMEPAGE}"
+	einfo "Fill out the application form, and send it in."
+	einfo "Download ${MY_SRC_URI}, rename it to ${SRC_URI},"
+	einfo "and place it in ${DISTDIR}."
+}
+
+src_unpack() {
+	unpack ${A}
+	epatch ${FILESDIR}/${PV}-autotool.patch
+
+	sed -i \
+		-e "s:CIFDIR='/usr/local/bin/':CIFDIR='${ROOT}usr/share/${PN}/':g" \
+		"${S}"/ciftab.f
+
+	cd "${S}"
+	eautoreconf
+}
+
+src_compile() {
+	econf \
+		FC="${FORTRANC}" \
+		|| die "configure failed"
+	emake || die "make failed"
+}
+
+src_install() {
+	emake DESTDIR="${D}" install || die "install failed"
+}