New program for X-ray crystallographic structure determination.

Package-Manager: portage-2.1_rc4-r1

diff --git a/sci-chemistry/shelx/ChangeLog b/sci-chemistry/shelx/ChangeLog
new file mode 100644 (file)
index 0000000..3e862a8
--- /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 (file)
index 0000000..1f30960
--- /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 1174 RMD160 30376b0a790e31d860f2351dcf8a0ec9a1674a36 SHA1 fc3f9a1d53234e0dc3adafc7c27d3c21a839afc6 SHA256 d12f13c821d18d1761ba33375579dcc0ea36aaeb909e690bde40292b177f5b69
+MD5 c880893633fdd8fb75bd44f9dbecd4bb shelx-20060317.ebuild 1174
+RMD160 30376b0a790e31d860f2351dcf8a0ec9a1674a36 shelx-20060317.ebuild 1174
+SHA256 d12f13c821d18d1761ba33375579dcc0ea36aaeb909e690bde40292b177f5b69 shelx-20060317.ebuild 1174
+MISC ChangeLog 440 RMD160 8700d62ac6d5a60d5983cd711c1b627cf68ee7d7 SHA1 faddfa615d3575ba9ff2a2d11ca6d9bf8a39fbe8 SHA256 7286a566a10f41a4b62e739c56cfd9ee29567d197b0dd9830812ba04efb183ba
+MD5 8e0c895ca34a54ea0355d1de6fb62847 ChangeLog 440
+RMD160 8700d62ac6d5a60d5983cd711c1b627cf68ee7d7 ChangeLog 440
+SHA256 7286a566a10f41a4b62e739c56cfd9ee29567d197b0dd9830812ba04efb183ba ChangeLog 440
+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 (file)
index 0000000..3e08bfa
--- /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 (file)
index 0000000..3869cbf
--- /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 (file)
index 0000000..211b8bd
--- /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 (file)
index 0000000..96c08dd
--- /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"
+}