79 lines
1.7 KiB
Bash
79 lines
1.7 KiB
Bash
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# Copyright 1999-2013 Gentoo Foundation
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# Distributed under the terms of the GNU General Public License v2
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# $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 $
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EAPI=5
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PYTHON_COMPAT=( python{2_6,2_7} pypy{1_8,1_9} )
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inherit fortran-2 python-single-r1 toolchain-funcs
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MY_PN="pdbTools"
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DESCRIPTION="Tools for manipulating and doing calculations on wwPDB macromolecule structure files"
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HOMEPAGE="http://code.google.com/p/pdb-tools/"
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SRC_URI="http://${PN}.googlecode.com/files/${MY_PN}_${PV}.tar.gz"
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SLOT="0"
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LICENSE="GPL-3"
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KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
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IUSE=""
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RDEPEND=""
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DEPEND=""
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S="${WORKDIR}"/${MY_PN}_${PV}
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pkg_setup() {
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python-single-r1_pkg_setup
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fortran-2_pkg_setup
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}
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src_prepare() {
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sed \
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-e "s:script_dir,\"pdb_data\":\"${EPREFIX}/usr/share/${PN}\",\"pdb_data\":g" \
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-i pdb_sasa.py || die
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sed \
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-e "/satk_path =/s:^.*$:satk_path = \"${EPREFIX}/usr/bin\":g" \
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-i pdb_satk.py || die
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sed \
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-e 's:> %:>%:g' \
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-i pdb_seq.py || die
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}
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src_compile() {
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mkdir bin
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cd satk
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for i in *.f; do
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einfo "$(tc-getFC) ${FFLAGS} ${LDFLAGS} ${i} -o ${i/.f}"
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$(tc-getFC) ${FFLAGS} -c ${i} -o ${i/.f/.o} || die
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$(tc-getFC) ${LDFLAGS} -o ../bin/${i/.f} ${i/.f/.o} || die
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sed \
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-e "s:${i/.f}.out:${i/.f}:g" \
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-i ../pdb_satk.py || die
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done
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}
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src_install() {
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local script
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insinto /usr/share/${PN}
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doins -r pdb_data/peptides
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rm -rf pdb_data/peptides || die
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python_domodule helper pdb_data
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python_moduleinto ${PN/-/_}
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python_domodule *.py
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for i in pdb_*.py; do
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cat > ${i/.py} <<- EOF
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#!${EPREFIX}/bin/bash
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${PYTHON} -O "${EPREFIX}$(python_get_sitedir)/${PN/-/_}/${i}" \$@
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EOF
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dobin ${i/.py}
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done
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dobin bin/*
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dodoc README
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}
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