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authorJustin Lecher <jlec@gentoo.org>2013-04-26 10:20:16 +0000
committerJustin Lecher <jlec@gentoo.org>2013-04-26 10:20:16 +0000
commit94f2bff33a9416fb2b188fab3bf867aa24bbe1dc (patch)
tree4e015ba203621a1ba853de07957a456e6bbf6b1c /sci-chemistry
parentsci-biology/biopython: Version Bump (diff)
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sci-chemistry/pdb-tools: Version BUmp
(Portage version: 2.2.0_alpha173/cvs/Linux x86_64, signed Manifest commit with key 8009D6F070EB7916)
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/pdb-tools/ChangeLog7
-rw-r--r--sci-chemistry/pdb-tools/pdb-tools-0.2.1.ebuild78
2 files changed, 84 insertions, 1 deletions
diff --git a/sci-chemistry/pdb-tools/ChangeLog b/sci-chemistry/pdb-tools/ChangeLog
index 165a45256640..ad360d17a127 100644
--- a/sci-chemistry/pdb-tools/ChangeLog
+++ b/sci-chemistry/pdb-tools/ChangeLog
@@ -1,6 +1,11 @@
# ChangeLog for sci-chemistry/pdb-tools
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb-tools/ChangeLog,v 1.10 2013/04/16 08:57:43 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb-tools/ChangeLog,v 1.11 2013/04/26 10:20:16 jlec Exp $
+
+*pdb-tools-0.2.1 (26 Apr 2013)
+
+ 26 Apr 2013; Justin Lecher <jlec@gentoo.org> +pdb-tools-0.2.1.ebuild:
+ Version BUmp
16 Apr 2013; Justin Lecher <jlec@gentoo.org> pdb-tools-0.1.4-r4.ebuild:
This package cannot be installed for multiple py abis
diff --git a/sci-chemistry/pdb-tools/pdb-tools-0.2.1.ebuild b/sci-chemistry/pdb-tools/pdb-tools-0.2.1.ebuild
new file mode 100644
index 000000000000..62f9bdc12a11
--- /dev/null
+++ b/sci-chemistry/pdb-tools/pdb-tools-0.2.1.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.ebuild,v 1.1 2013/04/26 10:20:16 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
+ ${PYTHON} -O "${EPREFIX}$(python_get_sitedir)/${PN/-/_}/${i}" \$@
+ EOF
+ dobin ${i/.py}
+ done
+
+ dobin bin/*
+ dodoc README
+}