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author | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 13:49:04 -0700 |
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committer | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 17:38:18 -0700 |
commit | 56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch) | |
tree | 3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/clashlist | |
download | gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.gz gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.bz2 gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.zip |
proj/gentoo: Initial commit
This commit represents a new era for Gentoo:
Storing the gentoo-x86 tree in Git, as converted from CVS.
This commit is the start of the NEW history.
Any historical data is intended to be grafted onto this point.
Creation process:
1. Take final CVS checkout snapshot
2. Remove ALL ChangeLog* files
3. Transform all Manifests to thin
4. Remove empty Manifests
5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$
5.1. Do not touch files with -kb/-ko keyword flags.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests
X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project
X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration
X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn
X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts
X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration
X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging
X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed
Diffstat (limited to 'sci-chemistry/clashlist')
-rw-r--r-- | sci-chemistry/clashlist/Manifest | 1 | ||||
-rw-r--r-- | sci-chemistry/clashlist/clashlist-3.17-r1.ebuild | 31 | ||||
-rw-r--r-- | sci-chemistry/clashlist/clashlist-3.17.ebuild | 25 | ||||
-rw-r--r-- | sci-chemistry/clashlist/metadata.xml | 16 |
4 files changed, 73 insertions, 0 deletions
diff --git a/sci-chemistry/clashlist/Manifest b/sci-chemistry/clashlist/Manifest new file mode 100644 index 000000000000..3c71b7792037 --- /dev/null +++ b/sci-chemistry/clashlist/Manifest @@ -0,0 +1 @@ +DIST molprobity-3.17.tgz 26429898 SHA256 2e70814efb4f566a522762a626f69669c09285cbb6fc26444eb947fde9b30f25 SHA512 a6e986f285ff7e8d167e2d1c935a55b080446c9809d352c95e2ffa32265892b59cd1611730e75ca88aa28387495d3ebd84226e1a9cdd33f0b27b1a8a1b6a469f WHIRLPOOL 3981522eeacaa589530e7d268cda786bebeaf676f7fa5c26508798022126bd1a1c8ea193f65e3c5c739fb3b516b26c3cf24ac0e7898e764a9cffab6637dcd5a9 diff --git a/sci-chemistry/clashlist/clashlist-3.17-r1.ebuild b/sci-chemistry/clashlist/clashlist-3.17-r1.ebuild new file mode 100644 index 000000000000..7aedd7743f6b --- /dev/null +++ b/sci-chemistry/clashlist/clashlist-3.17-r1.ebuild @@ -0,0 +1,31 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=4 + +DESCRIPTION="Build lists of van der Waals clashes from an input PDB file" +HOMEPAGE="http://kinemage.biochem.duke.edu/software/index.php" +SRC_URI="mirror://gentoo/molprobity-${PV}.tgz" + +SLOT="0" +LICENSE="richardson" +KEYWORDS="~amd64 x86 ~amd64-linux ~x86-linux" +IUSE="" + +RDEPEND=" + >=sci-chemistry/cluster-1.3.081231-r1 + sci-chemistry/probe" +DEPEND="${RDEPEND}" + +S="${WORKDIR}" + +src_prepare() { + sed \ + -e 's: cluster : molprobity-cluster :g' \ + -i molprobity3/bin/clashlist || die +} + +src_install() { + dobin molprobity3/bin/clashlist +} diff --git a/sci-chemistry/clashlist/clashlist-3.17.ebuild b/sci-chemistry/clashlist/clashlist-3.17.ebuild new file mode 100644 index 000000000000..513a1e024746 --- /dev/null +++ b/sci-chemistry/clashlist/clashlist-3.17.ebuild @@ -0,0 +1,25 @@ +# Copyright 1999-2012 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=4 + +DESCRIPTION="Build lists of van der Waals clashes from an input PDB file" +HOMEPAGE="http://kinemage.biochem.duke.edu/software/index.php" +SRC_URI="mirror://gentoo/molprobity-${PV}.tgz" + +SLOT="0" +LICENSE="richardson" +KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux" +IUSE="" + +RDEPEND=" + <=sci-chemistry/cluster-1.3.081231 + sci-chemistry/probe" +DEPEND="${RDEPEND}" + +S="${WORKDIR}" + +src_install() { + dobin molprobity3/bin/clashlist +} diff --git a/sci-chemistry/clashlist/metadata.xml b/sci-chemistry/clashlist/metadata.xml new file mode 100644 index 000000000000..c96b852229d5 --- /dev/null +++ b/sci-chemistry/clashlist/metadata.xml @@ -0,0 +1,16 @@ +<?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> + </maintainer> + <longdescription> +Clashlist is a simple UNIX script which uses the awk facility along with +the programs Probe and Cluster to build lists of van der Waals clashes +from an input PDB-format molecular data file (with H atoms). These lists +are organized such that collections of interacting residues are grouped +together, sorted by the worst clash. For the purposes of this analysis, +a clash is defined as a van der Waals overlap >= 0.4 A. +</longdescription> +</pkgmetadata> |