4 files changed, 85 insertions, 11 deletions
diff --git a/sci-chemistry/pdb2pqr/ChangeLog b/sci-chemistry/pdb2pqr/ChangeLog
index 0bbe7955cf55..9e0e2b29e758 100644
--- a/sci-chemistry/pdb2pqr/ChangeLog
+++ b/sci-chemistry/pdb2pqr/ChangeLog
@@ -1,6 +1,11 @@
 # ChangeLog for sci-chemistry/pdb2pqr
-# Copyright 1999-2007 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.10 2007/04/03 15:54:17 je_fro Exp $
+# Copyright 1999-2008 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.11 2008/02/06 15:14:10 markusle Exp $
+
+*pdb2pqr-1.3.0 (06 Feb 2008)
+
+  06 Feb 2008; Markus Dittrich <markusle@gentoo.org> +pdb2pqr-1.3.0.ebuild:
+  Version bump (see bug #209007).
 
 *pdb2pqr-1.2.1 (03 Apr 2007)
 
diff --git a/sci-chemistry/pdb2pqr/pdb2pqr-1.1.2.ebuild b/sci-chemistry/pdb2pqr/pdb2pqr-1.1.2.ebuild
index c8c5d1e9cf61..c5b3c57cf836 100644
--- a/sci-chemistry/pdb2pqr/pdb2pqr-1.1.2.ebuild
+++ b/sci-chemistry/pdb2pqr/pdb2pqr-1.1.2.ebuild
@@ -1,10 +1,10 @@
-# Copyright 1999-2007 Gentoo Foundation
+# Copyright 1999-2008 Gentoo Foundation
 # Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.1.2.ebuild,v 1.7 2007/07/13 05:48:10 mr_bones_ Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.1.2.ebuild,v 1.8 2008/02/06 15:14:10 markusle 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"
+DESCRIPTION="pdb2pqr is an automated pipeline for performing Poisson-Boltzmann electrostatics calculations"
 LICENSE="GPL-2"
 HOMEPAGE="http://pdb2pqr.sourceforge.net/"
 SRC_URI="mirror://sourceforge/${PN}/${P}.tar.gz"
@@ -18,7 +18,7 @@ DEPEND="dev-lang/python"
 FORTRAN="g77 gfortran"
 
 src_unpack() {
-	unpack "${A}"
+	unpack ${A}
 	cd "${S}"
 
 	epatch "${FILESDIR}"/${P}-gcc4-gentoo.patch
@@ -66,7 +66,7 @@ ${python} ${INPATH}/${PN}.py \$*
 EOF
 
 	exeinto /usr/bin
-	doexe ${T}/${PN} || die "Failed to install pdb2pqr wrapper."
+	doexe "${T}"/${PN} || die "Failed to install pdb2pqr wrapper."
 
 	dodoc ChangeLog NEWS README AUTHORS || \
 		die "Failed to install docs"
diff --git a/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild b/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild
index 94794e5604bf..fade32bc1c9a 100644
--- a/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild
+++ b/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild
@@ -1,10 +1,10 @@
-# Copyright 1999-2007 Gentoo Foundation
+# Copyright 1999-2008 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 1.3 2007/07/13 05:48:10 mr_bones_ Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.2.1.ebuild,v 1.4 2008/02/06 15:14:10 markusle 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"
+DESCRIPTION="pdb2pqr is an automated pipeline for performing Poisson-Boltzmann electrostatics calculations"
 LICENSE="GPL-2"
 HOMEPAGE="http://pdb2pqr.sourceforge.net/"
 SRC_URI="mirror://sourceforge/${PN}/${P}.tar.gz"
@@ -58,7 +58,7 @@ ${python} ${INPATH}/${PN}.py \$*
 EOF
 
 	exeinto /usr/bin
-	doexe ${T}/${PN} || die "Failed to install pdb2pqr wrapper."
+	doexe "${T}"/${PN} || die "Failed to install pdb2pqr wrapper."
 
 	dodoc ChangeLog NEWS README AUTHORS || \
 		die "Failed to install docs"
diff --git a/sci-chemistry/pdb2pqr/pdb2pqr-1.3.0.ebuild b/sci-chemistry/pdb2pqr/pdb2pqr-1.3.0.ebuild
new file mode 100644
index 000000000000..acc332c03593
--- /dev/null
+++ b/sci-chemistry/pdb2pqr/pdb2pqr-1.3.0.ebuild
@@ -0,0 +1,69 @@
+# Copyright 1999-2008 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.3.0.ebuild,v 1.1 2008/02/06 15:14:10 markusle Exp $
+
+inherit eutils fortran multilib flag-o-matic distutils
+
+DESCRIPTION="pdb2pqr is an automated pipeline for performing Poisson-Boltzmann electrostatics calculations"
+LICENSE="BSD"
+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() {
+	# we need to compile the *.so as pic
+	append-flags -fPIC
+	FFLAGS="${FFLAGS} -fPIC"
+	F77="${FORTRANC}" 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."
+}