1 files changed, 78 insertions, 0 deletions
diff --git a/sci-chemistry/pdb-tools/pdb-tools-0.2.1-r1.ebuild b/sci-chemistry/pdb-tools/pdb-tools-0.2.1-r1.ebuild
new file mode 100644
index 000000000000..4a2e2c3b1fe9
--- /dev/null
+++ b/sci-chemistry/pdb-tools/pdb-tools-0.2.1-r1.ebuild
@@ -0,0 +1,78 @@
+# Copyright 1999-2013 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb-tools/pdb-tools-0.2.1-r1.ebuild,v 1.1 2013/05/10 19:57:31 jlec Exp $
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_6,2_7} pypy{1_8,1_9} )
+
+inherit fortran-2 python-single-r1 toolchain-funcs
+
+MY_PN="pdbTools"
+
+DESCRIPTION="Tools for manipulating and doing calculations on wwPDB macromolecule structure files"
+HOMEPAGE="http://code.google.com/p/pdb-tools/"
+SRC_URI="http://${PN}.googlecode.com/files/${MY_PN}_${PV}.tar.gz"
+
+SLOT="0"
+LICENSE="GPL-3"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE=""
+
+RDEPEND=""
+DEPEND=""
+
+S="${WORKDIR}"/${MY_PN}_${PV}
+
+pkg_setup() {
+	python-single-r1_pkg_setup
+	fortran-2_pkg_setup
+}
+
+src_prepare() {
+	sed \
+		-e "s:script_dir,\"pdb_data\":\"${EPREFIX}/usr/share/${PN}\",\"pdb_data\":g" \
+		-i pdb_sasa.py || die
+	sed \
+		-e "/satk_path =/s:^.*$:satk_path = \"${EPREFIX}/usr/bin\":g" \
+		-i pdb_satk.py || die
+	sed \
+		-e 's:> %:>%:g' \
+		-i pdb_seq.py || die
+}
+
+src_compile() {
+	mkdir bin
+	cd satk
+	for i in *.f; do
+		einfo "$(tc-getFC) ${FFLAGS} ${LDFLAGS} ${i} -o ${i/.f}"
+		$(tc-getFC) ${FFLAGS} -c ${i} -o ${i/.f/.o} || die
+		$(tc-getFC) ${LDFLAGS} -o ../bin/${i/.f} ${i/.f/.o} || die
+		sed \
+			-e "s:${i/.f}.out:${i/.f}:g" \
+			-i ../pdb_satk.py || die
+	done
+}
+
+src_install() {
+	local script
+	insinto /usr/share/${PN}
+	doins -r pdb_data/peptides
+	rm -rf pdb_data/peptides || die
+
+	python_domodule helper pdb_data
+
+	python_moduleinto ${PN/-/_}
+	python_domodule *.py
+
+	for i in pdb_*.py; do
+		cat > ${i/.py} <<- EOF
+		#!${EPREFIX}/bin/bash
+		${PYTHON} -O "$(python_get_sitedir)/${PN/-/_}/${i}" \$@
+		EOF
+		dobin ${i/.py}
+	done
+
+	dobin bin/*
+	dodoc README
+}