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# Copyright 1999-2015 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
inherit fortran-2 python-single-r1 toolchain-funcs
MY_PN="pdbTools"
DESCRIPTION="Tools for manipulating and doing calculations on wwPDB macromolecule structure files"
HOMEPAGE="https://github.com/harmslab/pdbtools"
SRC_URI="https://${PN}.googlecode.com/files/${MY_PN}_${PV}.tar.gz"
SLOT="0"
LICENSE="GPL-3"
KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
IUSE=""
REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RDEPEND="${PYTHON_DEPS}"
DEPEND="${RDEPEND}"
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 = \"${EPREFIX}/usr/bin\":g" \
-i pdb_satk.py || die
sed \
-e 's:> %:>%:g' \
-i pdb_seq.py || die
sed \
-e "/import/s:helper:${PN/-/_}.helper:g" \
-i *.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 pdb_data
python_moduleinto ${PN/-/_}
python_domodule helper *.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
}
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