Version bump.

(Portage version: 2.1.2.2)

1 files changed, 68 insertions, 0 deletions

diff --git a/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild b/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild
new file mode 100644
index 000000000000..f5500a30a3a5
--- /dev/null
+++ b/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild
@@ -0,0 +1,68 @@
+# Copyright 1999-2007 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild,v 1.1 2007/04/03 15:54:17 je_fro Exp $
+
+inherit eutils fortran multilib flag-o-matic distutils
+
+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="mirror://sourceforge/${PN}/${P}.tar.gz"
+
+SLOT="0"
+IUSE=""
+KEYWORDS="~amd64 ~x86"
+
+DEPEND="dev-lang/python"
+
+FORTRAN="g77 gfortran"
+
+src_compile() {
+	econf || die "econf failed"
+	emake || die "emake failed"
+}
+
+src_install() {
+	python_version
+	INPATH="/usr/$(get_libdir)/python${PYVER}/site-packages/${PN}"
+
+	insinto "${INPATH}"
+	doins __init__.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."
+
+	exeinto "${INPATH}"/extensions
+	doexe extensions/* || \
+		die "Failed to install extensions."
+
+	insinto "${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."
+
+	# generate pdb2pqr wrapper 
+	cat >> "${T}"/${PN} << EOF
+#!/bin/sh
+${python} ${INPATH}/${PN}.py \$*
+EOF
+
+	exeinto /usr/bin
+	doexe ${T}/${PN} || die "Failed to install pdb2pqr wrapper."
+
+
+	dodoc ChangeLog NEWS README AUTHORS || \
+		die "Failed to install docs"
+	dohtml -r doc/* || die "Failed to install html docs."
+}
+