Initital addition

Package-Manager: portage-2.2_rc98/cvs/Linux x86_64

4 files changed, 94 insertions, 0 deletions

diff --git a/sci-chemistry/prodecomp/ChangeLog b/sci-chemistry/prodecomp/ChangeLog
new file mode 100644
index 000000000000..9add7c62a48c
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+++ b/sci-chemistry/prodecomp/ChangeLog
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+# 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/Manifest b/sci-chemistry/prodecomp/Manifest
new file mode 100644
index 000000000000..246402dc08e5
--- /dev/null
+++ b/sci-chemistry/prodecomp/Manifest
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+-----BEGIN PGP SIGNED MESSAGE-----
+Hash: SHA1
+
+DIST prodecomp-3.0.tar.bz2 18377446 RMD160 0055fd69a8644827e1e9d5c2022758f056c3c192 SHA1 ea1d3fda39fa63f382e4de548520ae6c6f45f0cd SHA256 097b97aa6503ff1aecd4147a6e3ef9997807773a7ef58aab8b10baf73b65e457
+EBUILD prodecomp-3.0.ebuild 1263 RMD160 6b40a9e7b637042cd062adb954fa86d07e4febc1 SHA1 878bcdb84c1c53b7e7964c464bb1088d73d52477 SHA256 c443036b3ab48fcab34ac3e30371306b2b2acbd647cb04f674601e85ae7f1c35
+MISC ChangeLog 355 RMD160 23bde2ab963cf6af8b2978366f847ae7117ba602 SHA1 aac59773536cd1930b84059d16ef8211db24f4eb SHA256 8a91e9620b939b8134ece95df78de045403124e9943800e699f7c813c72e4acd
+MISC metadata.xml 782 RMD160 6779cb8eed762181fea30644b1d12cdb1959278b SHA1 a41c2e895a69a6e3e05a2e36e222354f0be41b35 SHA256 bcaf930880ccddcc20b737c61d4b0971a0125ceb0e0d450cac5e5f828317b555
+-----BEGIN PGP SIGNATURE-----
+Version: GnuPG v2.0.16 (GNU/Linux)
+
+iEYEARECAAYFAky+i3sACgkQgAnW8HDreRZhAwCdGfnpkJ92nw+l3NyNi105HGFg
+MioAnRfLHf4eJWmyOIEvZ+XnwA8DMpq8
+=ZRcA
+-----END PGP SIGNATURE-----
diff --git a/sci-chemistry/prodecomp/metadata.xml b/sci-chemistry/prodecomp/metadata.xml
new file mode 100644
index 000000000000..f42aa732a3b8
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+++ b/sci-chemistry/prodecomp/metadata.xml
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+<?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
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+# 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
+}