From 4ceedc672d38dec6f3766ae79a4ae1619ecc3ae1 Mon Sep 17 00:00:00 2001 From: Donnie Berkholz Date: Mon, 5 Jun 2006 09:01:43 +0000 Subject: [PATCH] New program for X-ray crystallographic structure determination. Package-Manager: portage-2.1_rc4-r1 --- sci-chemistry/shelx/ChangeLog | 10 ++++ sci-chemistry/shelx/Manifest | 20 +++++++ .../shelx/files/20060317-autotool.patch | 47 +++++++++++++++++ .../shelx/files/digest-shelx-20060317 | 3 ++ sci-chemistry/shelx/metadata.xml | 9 ++++ sci-chemistry/shelx/shelx-20060317.ebuild | 52 +++++++++++++++++++ 6 files changed, 141 insertions(+) create mode 100644 sci-chemistry/shelx/ChangeLog create mode 100644 sci-chemistry/shelx/Manifest create mode 100644 sci-chemistry/shelx/files/20060317-autotool.patch create mode 100644 sci-chemistry/shelx/files/digest-shelx-20060317 create mode 100644 sci-chemistry/shelx/metadata.xml create mode 100644 sci-chemistry/shelx/shelx-20060317.ebuild 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 ; + +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..1f309605508e --- /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 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 @@ + + + +sci + +spyderous@gentoo.org +Donnie Berkholz + + 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" +} -- 2.26.2