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authorJustin Lecher <jlec@gentoo.org>2010-02-06 23:25:57 +0000
committerJustin Lecher <jlec@gentoo.org>2010-02-06 23:25:57 +0000
commit09d0d181963916dc04224c4eb658023c0c8d718a (patch)
tree2143317f44d102eccd78f34803181bbc5225b3b9 /sci-chemistry
parentSplitted imosflm from ccp4 (diff)
downloadhistorical-09d0d181963916dc04224c4eb658023c0c8d718a.tar.gz
historical-09d0d181963916dc04224c4eb658023c0c8d718a.tar.bz2
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Splitted mrbump from ccp4
Package-Manager: portage-2.2_rc62/cvs/Linux x86_64
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/mrbump/ChangeLog10
-rw-r--r--sci-chemistry/mrbump/files/0.4.4-superpose.patch11
-rw-r--r--sci-chemistry/mrbump/metadata.xml10
-rw-r--r--sci-chemistry/mrbump/mrbump-0.4.4.ebuild52
4 files changed, 83 insertions, 0 deletions
diff --git a/sci-chemistry/mrbump/ChangeLog b/sci-chemistry/mrbump/ChangeLog
new file mode 100644
index 000000000000..be30423f55f2
--- /dev/null
+++ b/sci-chemistry/mrbump/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/mrbump
+# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mrbump/ChangeLog,v 1.1 2010/02/06 23:25:56 jlec Exp $
+
+*mrbump-0.4.4 (06 Feb 2010)
+
+ 06 Feb 2010; Justin Lecher (jlec) <jlec@gentoo.org>
+ +files/0.4.4-superpose.patch, +mrbump-0.4.4.ebuild, +metadata.xml:
+ Splitted mrbump from ccp4
+
diff --git a/sci-chemistry/mrbump/files/0.4.4-superpose.patch b/sci-chemistry/mrbump/files/0.4.4-superpose.patch
new file mode 100644
index 000000000000..c9941e9ece2a
--- /dev/null
+++ b/sci-chemistry/mrbump/files/0.4.4-superpose.patch
@@ -0,0 +1,11 @@
+--- share/mrbump/include/mr/Ensemble.py 2008-07-28 16:40:47.000000000 +0200
++++ share/mrbump/include/mr/Ensemble.py.new 2009-08-26 22:26:44.000000000 +0200
+@@ -29,7 +29,7 @@
+ self.superposeEXE=os.path.join(os.environ['CBIN'], 'superpose.exe')
+ self.pdbsetEXE=os.path.join(os.environ['CBIN'], 'pdbset.exe')
+ else:
+- self.superposeEXE=os.path.join(os.environ['CBIN'], 'superpose')
++ self.superposeEXE=os.path.join(os.environ['CBIN'], 'superpose-ccp4')
+ self.pdbsetEXE=os.path.join(os.environ['CBIN'], 'pdbset')
+
+ self.SPxyz_template=''
diff --git a/sci-chemistry/mrbump/metadata.xml b/sci-chemistry/mrbump/metadata.xml
new file mode 100644
index 000000000000..4aaae064be71
--- /dev/null
+++ b/sci-chemistry/mrbump/metadata.xml
@@ -0,0 +1,10 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+ <herd>sci-chemistry</herd>
+ <maintainer>
+ <email>jlec@gentoo.org</email>
+ <name>Justin Lecher (jlec)</name>
+ </maintainer>
+</pkgmetadata>
+
diff --git a/sci-chemistry/mrbump/mrbump-0.4.4.ebuild b/sci-chemistry/mrbump/mrbump-0.4.4.ebuild
new file mode 100644
index 000000000000..6784cc2c3d75
--- /dev/null
+++ b/sci-chemistry/mrbump/mrbump-0.4.4.ebuild
@@ -0,0 +1,52 @@
+# Copyright 1999-2010 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mrbump/mrbump-0.4.4.ebuild,v 1.1 2010/02/06 23:25:56 jlec Exp $
+
+EAPI="2"
+
+inherit eutils multilib
+
+DESCRIPTION="An automated scheme for Molecular Replacement"
+HOMEPAGE="http://www.ccp4.ac.uk/MrBUMP"
+SRC_URI="${HOMEPAGE}/release/${P}.tar.gz"
+
+LICENSE="ccp4"
+
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+
+IUSE="X perl"
+RDEPEND=">=sci-chemistry/ccp4-apps-6.1.3[X?]
+ || ( sci-biology/mafft
+ sci-biology/clustalw:2
+ sci-biology/probcons
+ sci-biology/t-coffee )
+ sci-biology/fasta
+ X? ( media-gfx/graphviz )
+ perl? ( dev-perl/SOAP-Lite )
+ >=dev-lang/python-2.3"
+DEPEND="${RDEPEND}"
+
+src_unpack(){
+ unpack ${A}
+ cd "${S}"
+ unpack ./"${PN}".tar.gz
+}
+
+src_prepare() {
+ epatch "${FILESDIR}"/${PV}-superpose.patch
+}
+
+src_install(){
+ insinto /usr/$(get_libdir)/ccp4/ccp4i
+ doins -r ccp4i/{MrBUMP-ccp4i.tar.gz,MrBUMP/{help,scripts,tasks,templates}} || \
+ die "failed to install interface"
+
+ insinto /usr/share/${PN}
+ doins -r share/${PN}/{data,include} || die "failed to install mrbump data"
+
+ dobin share/${PN}/bin/* || die "failed to install binaries"
+
+ dodoc README.txt || die
+ dohtml html/mrbump_doc.html || die
+}