Initial import (fixes bug #124791).

(Portage version: 2.1_pre6-r4)

1 files changed, 61 insertions, 0 deletions

diff --git a/sci-chemistry/pdb2pqr/pdb2pqr-1.0.2.ebuild b/sci-chemistry/pdb2pqr/pdb2pqr-1.0.2.ebuild
new file mode 100644
index 000000000000..4f6d3b4d0431
--- /dev/null
+++ b/sci-chemistry/pdb2pqr/pdb2pqr-1.0.2.ebuild
@@ -0,0 +1,61 @@
+# Copyright 1999-2006 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.0.2.ebuild,v 1.1 2006/03/21 17:07:14 markusle Exp $
+
+inherit eutils fortran python multilib
+
+DESCRIPTION="pdb2pqr is an automated pipeline for the setup, execution, and analysis of Poisson-Boltzmann electrostatics calculations"
+LICENSE="GPL-2"
+HOMEPAGE="http://pdb2pqr.sourceforge.net/"
+SRC_URI="http://umn.dl.sourceforge.net/sourceforge/${PN}/${P}.tar.gz"
+
+SLOT="0"
+IUSE=""
+KEYWORDS="~x86"
+
+DEPEND="dev-lang/python"
+
+FORTRAN="g77 gfortran"
+
+src_unpack() {
+	unpack "${A}"
+	cd "${S}"
+
+	epatch "${FILESDIR}"/${PN}-gcc4-gentoo.patch
+	epatch "${FILESDIR}"/${PN}-propka-gentoo.patch
+}
+
+src_install() {
+	python_version
+	INPATH="/usr/$(get_libdir)/python${PYVER}/site-packages/${PN}"
+
+	insinto "${INPATH}"
+	doins __init__.py constants.py || \
+		die "Setting up the pdb2pqr site-package failed."
+
+	exeinto "${INPATH}"
+	doexe ${PN}.py || die "Installing pdb2pqr failed."
+
+	exeinto "${INPATH}"/propka
+	doexe propka/_propkalib.so || \
+		die "Failed to install propka."
+
+	insinto "${INPATH}"/propka
+	doins propka/propkalib.py propka/__init__.py || \
+		die "Failed to install propka."
+
+	insinto "${INPATH}"/src
+	doins src/* || die "Installing of python scripts failed."
+
+	insinto "${INPATH}"/dat
+	doins dat/* || die "Installing data failed."
+
+	into /usr/bin
+	dosym "${INPATH}"/${PN}.py /usr/bin/${PN} \
+		|| die "Failed to install symlink into /usr/bin."
+
+	dodoc ChangeLog NEWS README AUTHORS || \
+		die "Failed to install docs"
+	dohtml doc/* || die "Failed to install html docs."
+}
+