New addition

Package-Manager: portage-2.2.0_alpha2/cvs/Linux x86_64

3 files changed, 90 insertions, 0 deletions

diff --git a/sci-chemistry/pdb-tools/ChangeLog b/sci-chemistry/pdb-tools/ChangeLog
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index 000000000000..439cdea37987
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+++ b/sci-chemistry/pdb-tools/ChangeLog
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+# ChangeLog for sci-chemistry/pdb-tools
+# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb-tools/ChangeLog,v 1.1 2010/10/28 15:48:14 jlec Exp $
+
+*pdb-tools-0.1.4 (28 Oct 2010)
+
+  28 Oct 2010; Justin Lecher <jlec@gentoo.org> +pdb-tools-0.1.4.ebuild,
+  +metadata.xml:
+  New addition
+
diff --git a/sci-chemistry/pdb-tools/metadata.xml b/sci-chemistry/pdb-tools/metadata.xml
new file mode 100644
index 000000000000..dde7ca88a50f
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+++ b/sci-chemistry/pdb-tools/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>
+</pkgmetadata>
diff --git a/sci-chemistry/pdb-tools/pdb-tools-0.1.4.ebuild b/sci-chemistry/pdb-tools/pdb-tools-0.1.4.ebuild
new file mode 100644
index 000000000000..6140afbffd22
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+++ b/sci-chemistry/pdb-tools/pdb-tools-0.1.4.ebuild
@@ -0,0 +1,72 @@
+# Copyright 1999-2010 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb-tools/pdb-tools-0.1.4.ebuild,v 1.1 2010/10/28 15:48:14 jlec Exp $
+
+EAPI="3"
+PYTHON_DEPEND="2"
+
+inherit python fortran
+
+DESCRIPTION="A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files"
+HOMEPAGE="http://code.google.com/p/pdb-tools"
+SRC_URI="http://${PN}.googlecode.com/files/${PN}_${PV}.tar.gz"
+
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+LICENSE="GPL-3"
+IUSE=""
+
+RDEPEND="sci-chemistry/dssp"
+DEPEND=""
+
+FORTRANC="ifc gfortran"
+
+S="${WORKDIR}"/${PN}_${PV}
+
+pkg_setup() {
+	python_set_active_version 2
+	fortran_pkg_setup
+}
+
+src_prepare() {
+	python_convert_shebangs -r 2 .
+	PDB_PY="$(ls pdb_*.py)"
+	sed "s:script_dir,\"pdb_data\":\"${EPREFIX}/usr/share/${PN}\",\"pdb_data\":g" -i pdb_sasa.py || die
+}
+
+src_compile() {
+	mkdir bin
+	cd satk
+	for i in *.f; do
+		einfo "${FORTRANC} ${FFLAGS} ${LDFLAGS} ${i} -o ${i/.f}"
+		${FORTRANC} ${FFLAGS} -c ${i} -o ${i/.f/.o} || die
+		${FORTRANC} ${LDFLAGS} -o ../bin/${i/.f} ${i/.f/.o} || die
+	done
+}
+
+src_install() {
+	insinto /usr/share/${PN}
+	doins -r pdb_data/peptides || die
+	rm -rf pdb_data/peptides || die
+
+	insinto $(python_get_sitedir)
+	doins -r *.py helper pdb_data || die
+
+	for i in ${PDB_PY}; do
+		cat >> ${i/.py} <<- EOF
+		#!${EPREFIX}/bin/bash
+		$(PYTHON) -O "${EPREFIX}"$(python_get_sitedir)/${i} \$@
+		EOF
+		dobin ${i/.py}
+	done
+
+	dobin bin/* || die
+}
+
+pkg_postinst() {
+	python_mod_optimize ${PDB_PY} helper pdb_data
+}
+
+pkg_postrm() {
+	python_mod_cleanup ${PDB_PY} helper pdb_data
+}