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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/prodecomp | |
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/prodecomp')
-rw-r--r-- | sci-chemistry/prodecomp/Manifest | 1 | ||||
-rw-r--r-- | sci-chemistry/prodecomp/metadata.xml | 18 | ||||
-rw-r--r-- | sci-chemistry/prodecomp/prodecomp-3.0.ebuild | 46 |
3 files changed, 65 insertions, 0 deletions
diff --git a/sci-chemistry/prodecomp/Manifest b/sci-chemistry/prodecomp/Manifest new file mode 100644 index 000000000000..ffead0387fc2 --- /dev/null +++ b/sci-chemistry/prodecomp/Manifest @@ -0,0 +1 @@ +DIST prodecomp-3.0.tar.bz2 18377446 SHA256 097b97aa6503ff1aecd4147a6e3ef9997807773a7ef58aab8b10baf73b65e457 SHA512 8d23f174e125d4c7776432a37b063d2f39af8497050bd7f7ff358c67d509b1eef2c2865596efae632855fd583fb52c233b67d0e667c6c2a03ba6f5a2f2ac9b0d WHIRLPOOL c06f4bf32e3d5ff4f2b5f1b1c4fd03d7a5b734651707e6fc101ce0ea5ba17c9377edb60166c4e9313b616b37bd580febea01bf62a71e15389174b301c4d70738 diff --git a/sci-chemistry/prodecomp/metadata.xml b/sci-chemistry/prodecomp/metadata.xml new file mode 100644 index 000000000000..a91e9092dc52 --- /dev/null +++ b/sci-chemistry/prodecomp/metadata.xml @@ -0,0 +1,18 @@ +<?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> + PRODECOMP (PROjection DECOMPosition) is a software tool for + decomposition of 2D projections of high-dimensional NMR spectra to a set + of components (defined in turn by one-dimensional "shapes"). + Simultaneous analysis of projections from one or several + high-dimensional experiments provide unambigous chemical shifts for + large spin systems. The latter can be used for backbone and side-chain + assignments as well as structural studies of proteins + (Malmodin and Billeter 2005; 2006; Staykova et al. 2008a,b). +</longdescription> +</pkgmetadata> diff --git a/sci-chemistry/prodecomp/prodecomp-3.0.ebuild b/sci-chemistry/prodecomp/prodecomp-3.0.ebuild new file mode 100644 index 000000000000..28791c9108ba --- /dev/null +++ b/sci-chemistry/prodecomp/prodecomp-3.0.ebuild @@ -0,0 +1,46 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +PYTHON_COMPAT=( python2_7 ) +PYTHON_REQ_USE="tk" + +inherit python-single-r1 + +DESCRIPTION="Decomposition-based analysis of NMR projections" +HOMEPAGE="http://www.lundberg.gu.se/nmr/software.php?program=PRODECOMP" +SRC_URI="mirror://gentoo/${P}.tar.bz2" + +SLOT="0" +LICENSE="GPL-2" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="examples" + +RDEPEND="sci-libs/scipy[${PYTHON_USEDEP}]" +DEPEND="" + +S="${WORKDIR}"/NMRProjAnalys + +src_install() { + if use examples; then + insinto /usr/share/${PN} + doins -r ExampleData Results + fi + + dodoc ProjTools/Manual.pdf + rm -rf ProjTools/Manual.pdf ProdecompOutput || die + + python_moduleinto ${PN} + python_domodule ProjTools/. + python_optimize + + cat >> "${T}"/${PN} <<- EOF + #!/bin/bash + ${PYTHON} -O "${EPREFIX}"/$(python_get_sitedir)/${PN}/ProjAnalys.py $@ + EOF + dobin "${T}"/${PN} + + dosym ../../../../share/doc/${PF}/Manual.pdf $(python_get_sitedir)/${PN}/Manual.pdf +} |