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author | Justin Lecher <jlec@gentoo.org> | 2010-10-20 06:25:57 +0000 |
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committer | Justin Lecher <jlec@gentoo.org> | 2010-10-20 06:25:57 +0000 |
commit | 5597c69523492d5a77787910d4e8e2d13685ec62 (patch) | |
tree | 1e2ba670a677e4def0a0c8006980633f821593b0 /sci-chemistry/prodecomp | |
parent | Initial commit (ebuild written by me), needed for xsd and the required librar... (diff) | |
download | gentoo-2-5597c69523492d5a77787910d4e8e2d13685ec62.tar.gz gentoo-2-5597c69523492d5a77787910d4e8e2d13685ec62.tar.bz2 gentoo-2-5597c69523492d5a77787910d4e8e2d13685ec62.zip |
Initital addition
(Portage version: 2.2_rc98/cvs/Linux x86_64)
Diffstat (limited to 'sci-chemistry/prodecomp')
-rw-r--r-- | sci-chemistry/prodecomp/ChangeLog | 10 | ||||
-rw-r--r-- | sci-chemistry/prodecomp/metadata.xml | 18 | ||||
-rw-r--r-- | sci-chemistry/prodecomp/prodecomp-3.0.ebuild | 52 |
3 files changed, 80 insertions, 0 deletions
diff --git a/sci-chemistry/prodecomp/ChangeLog b/sci-chemistry/prodecomp/ChangeLog new file mode 100644 index 000000000000..9add7c62a48c --- /dev/null +++ b/sci-chemistry/prodecomp/ChangeLog @@ -0,0 +1,10 @@ +# ChangeLog for sci-chemistry/prodecomp +# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/prodecomp/ChangeLog,v 1.1 2010/10/20 06:25:57 jlec Exp $ + +*prodecomp-3.0 (20 Oct 2010) + + 20 Oct 2010; Justin Lecher <jlec@gentoo.org> +prodecomp-3.0.ebuild, + +metadata.xml: + Initital addition + diff --git a/sci-chemistry/prodecomp/metadata.xml b/sci-chemistry/prodecomp/metadata.xml new file mode 100644 index 000000000000..f42aa732a3b8 --- /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..3212131e8bf9 --- /dev/null +++ b/sci-chemistry/prodecomp/prodecomp-3.0.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/prodecomp/prodecomp-3.0.ebuild,v 1.1 2010/10/20 06:25:57 jlec Exp $ + +EAPI="3" + +PYTHON_DEPEND="2" +PYTHON_USE_WITH="tk" + +inherit python + +DESCRIPTION="Decomposition-based analysis of NMR projections" +HOMEPAGE="http://www.lundberg.gu.se/nmr/software.php?program=PRODECOMP" +SRC_URI="mirror://gentoo/${P}.tar.bz2" + +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +LICENSE="GPL-2" +IUSE="examples" + +RDEPEND="sci-libs/scipy" +DEPEND="" + +S="${WORKDIR}"/NMRProjAnalys + +pkg_setup() { + python_set_active_version 2 + python_pkg_setup +} + +src_install() { + if use examples; then + insinto /usr/share/${PN} + doins -r ExampleData Results || die + fi + + insinto /usr/share/doc/${PF} + doins ProjTools/Manual.pdf || die + rm -rf ProjTools/Manual.pdf ProdecompOutput || die + + insinto $(python_get_sitedir) + doins -r ProjTools || die + mv "${ED}"/$(python_get_sitedir)/{ProjTools,${PN}} || die + + cat >> "${T}"/${PN} <<- EOF + #!/bin/bash + $(PYTHON) -O "${EPREFIX}"/$(python_get_sitedir)/${PN}/ProjAnalys.py $@ + EOF + dobin "${T}"/${PN} || die + + dosym ../../../../share/doc/${PF}/Manual.pdf $(python_get_sitedir)/${PN}/Manual.pdf +} |