Initial commit (bug #296707)

(Portage version: 2.1.9.25/cvs/Linux i686)

3 files changed, 102 insertions, 0 deletions

diff --git a/sci-chemistry/votca-csg/ChangeLog b/sci-chemistry/votca-csg/ChangeLog
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index 000000000000..858ffb8635b3
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+++ b/sci-chemistry/votca-csg/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/votca-csg
+# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/votca-csg/ChangeLog,v 1.1 2011/02/12 16:22:51 ottxor Exp $
+
+*votca-csg-1.0.1 (12 Feb 2011)
+
+  12 Feb 2011; Christoph Junghans <ottxor@gentoo.org> +votca-csg-1.0.1.ebuild,
+  +metadata.xml:
+  Initial commit (bug #296707)
+
diff --git a/sci-chemistry/votca-csg/metadata.xml b/sci-chemistry/votca-csg/metadata.xml
new file mode 100644
index 000000000000..9796135c481b
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+++ b/sci-chemistry/votca-csg/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>ottxor@gentoo.org</email>
+		<name>Christoph Junghans</name>
+	</maintainer>
+	<use>
+		<flag name='gromacs'>Add support for gromacs file formats (sci-chemistry/gromacs)</flag>
+	</use>
+</pkgmetadata>
diff --git a/sci-chemistry/votca-csg/votca-csg-1.0.1.ebuild b/sci-chemistry/votca-csg/votca-csg-1.0.1.ebuild
new file mode 100644
index 000000000000..00005b6ad1ea
--- /dev/null
+++ b/sci-chemistry/votca-csg/votca-csg-1.0.1.ebuild
@@ -0,0 +1,80 @@
+# Copyright 1999-2011 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/votca-csg/votca-csg-1.0.1.ebuild,v 1.1 2011/02/12 16:22:51 ottxor Exp $
+
+EAPI="3"
+
+inherit autotools bash-completion
+
+if [ "${PV}" != "9999" ]; then
+	SRC_URI="http://votca.googlecode.com/files/${PF}.tar.gz"
+else
+	SRC_URI=""
+	inherit mercurial
+	EHG_REPO_URI="https://csg.votca.googlecode.com/hg"
+	S="${WORKDIR}/${EHG_REPO_URI##*/}"
+fi
+
+DESCRIPTION="Votca coarse-graining engine"
+HOMEPAGE="http://www.votca.org"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+KEYWORDS="~x86"
+IUSE="doc +gromacs static-libs"
+
+RDEPEND="=sci-libs/votca-tools-${PV}
+	gromacs? ( >=sci-chemistry/gromacs-4.0.7-r5	<sci-chemistry/gromacs-9999 )
+	dev-lang/perl
+	app-shells/bash
+	doc? ( >=app-text/txt2tags-2.5 )"
+
+DEPEND="${RDEPEND}
+	dev-util/pkgconfig"
+
+src_prepare() {
+	#from bootstrap.sh
+	[ -z "${PV##*9999}" ] && \
+		emake -C share/scripts/inverse -f Makefile.am.in Makefile.am
+
+	eautoreconf || die "eautoreconf failed"
+}
+
+src_configure() {
+	local myconf="--disable-la-files --disable-rc-files"
+
+	if use gromacs; then
+		#prefer gromacs double-precision if it is there
+		if has_version sci-chemistry/gromacs[double-precision]; then
+			myconf="${myconf} --with-libgmx=libgmx_d"
+		else
+			myconf="${myconf} --with-libgmx=libgmx"
+		fi
+	else
+		myconf="${myconf} --without-libgmx"
+	fi
+
+	myconf="${myconf} $(use_enable static-libs static)"
+
+	econf ${myconf} || die "econf failed"
+}
+
+src_install() {
+	emake install DESTDIR="${D}" || die "emake install failed"
+	dodoc README NOTICE
+	if use doc; then
+		emake CHANGELOG || die "emake CHANGELOG failed"
+		dodoc CHANGELOG
+	fi
+
+	dobashcompletion scripts/csg-completion.bash ${PN}
+}
+
+pkg_postinst() {
+	elog
+	elog "Please read and cite:"
+	elog "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+	elog "http://dx.doi.org/10.1021/ct900369w"
+	elog
+	bash-completion_pkg_postinst
+}