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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/tm-align | |
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/tm-align')
-rw-r--r-- | sci-chemistry/tm-align/Manifest | 1 | ||||
-rw-r--r-- | sci-chemistry/tm-align/files/CMakeLists.txt | 6 | ||||
-rw-r--r-- | sci-chemistry/tm-align/metadata.xml | 24 | ||||
-rw-r--r-- | sci-chemistry/tm-align/tm-align-20140601.ebuild | 25 |
4 files changed, 56 insertions, 0 deletions
diff --git a/sci-chemistry/tm-align/Manifest b/sci-chemistry/tm-align/Manifest new file mode 100644 index 000000000000..d9e8dc8632b3 --- /dev/null +++ b/sci-chemistry/tm-align/Manifest @@ -0,0 +1 @@ +DIST TMtools20140601.tar.gz 934391 SHA256 5032f7ab1824c8b2191b4a3667e1405feb6ccf7c900f57632aa506fff8ec1bf5 SHA512 99b90425ff051c836e19225601ddfb1576bec9c8f233aafeba96075f924a3c0892b5b1cfef36254ff5ef468a6dbf64f7fcc9a3ce24a0d869b3c1eb87c0149765 WHIRLPOOL 5ba7d9cb71e3055dff62851c68e127314b9ca70c4bbc39aeba35e5a4b02dc0cffeacb52c6369c90875d8062603c830acf604cfc339bdecfeb3dd6c10015e20de diff --git a/sci-chemistry/tm-align/files/CMakeLists.txt b/sci-chemistry/tm-align/files/CMakeLists.txt new file mode 100644 index 000000000000..506ef136309e --- /dev/null +++ b/sci-chemistry/tm-align/files/CMakeLists.txt @@ -0,0 +1,6 @@ +cmake_minimum_required (VERSION 2.6) +project (TMTools Fortran) +add_executable(TMalign TMalign.f) +add_executable(TMscore TMscore.f) + +install (TARGETS TMalign TMscore DESTINATION bin) diff --git a/sci-chemistry/tm-align/metadata.xml b/sci-chemistry/tm-align/metadata.xml new file mode 100644 index 000000000000..1e724495b8e2 --- /dev/null +++ b/sci-chemistry/tm-align/metadata.xml @@ -0,0 +1,24 @@ +<?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> +TM-align is a computer algorithm for protein structure alignment using dynamic +programming and TM-score rotation matrix. An optimal alignment between two +proteins, as well as the TM-score, will be reported for each comparison. The +value of TM-score lies in (0,1]. In general, a comparison of TM-score smaller +0.2 indicates that there is no similarity between two structures; a TM-score +greater 0.5 means the structures share the same fold. + +What is the difference between TM-score and TM-align? The TM-score program +is to compare two models based on their given and known residue equivalency. +It is usually NOT applied to compare two proteins of different sequences. The +TM-align is a structural alignment program for comparing two proteins whose +sequences can be different. The TM-align will first find the best equivalent +residues of two proteins based on the structure similarity and then output a +TM-score. The TM-score values in both programs have the same definition. +</longdescription> +</pkgmetadata> diff --git a/sci-chemistry/tm-align/tm-align-20140601.ebuild b/sci-chemistry/tm-align/tm-align-20140601.ebuild new file mode 100644 index 000000000000..e7718e305db1 --- /dev/null +++ b/sci-chemistry/tm-align/tm-align-20140601.ebuild @@ -0,0 +1,25 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +inherit cmake-utils flag-o-matic fortran-2 + +DESCRIPTION="Quick & Accurate Structural Alignment" +HOMEPAGE="http://zhanglab.ccmb.med.umich.edu/TM-align/" +SRC_URI="http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools${PV}.tar.gz" + +LICENSE="tm-align" +SLOT="0" +KEYWORDS="amd64 ppc ppc64 x86 ~amd64-linux ~x86-linux" +IUSE="static custom-cflags" + +S="${WORKDIR}" + +src_prepare() { + cp "${FILESDIR}"/CMakeLists.txt . || die + use static && append-fflags -static && append-ldflags -static + # recommended by upstream + use custom-cflags || replace-flags -O* -O3 && append-fflags -ffast-math +} |