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# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
inherit autotools readme.gentoo-r1
MY_PN="autodocksuite"
MY_P="${MY_PN}-${PV}"
DESCRIPTION="A suite of automated docking tools"
HOMEPAGE="http://autodock.scripps.edu/"
SRC_URI="http://autodock.scripps.edu/downloads/autodock-registration/tars/dist$(ver_rs 1- '')/${MY_P}-src.tar.gz"
S="${WORKDIR}/src"
LICENSE="GPL-2"
SLOT="0"
KEYWORDS="~amd64 ~x86"
IUSE="examples openmp"
# Tests require python2
RESTRICT="test"
# False positives caused by nested configure scripts
QA_CONFIGURE_OPTIONS=".*"
DISABLE_AUTOFORMATTING="yes"
DOC_CONTENTS="
The AutoDock development team requests all users to fill out the
registration form at:
http://autodock.scripps.edu/downloads/autodock-registration
The number of unique users of AutoDock is used by Prof. Arthur J.
Olson and the Scripps Research Institude to support grant
applications.
"
PATCHES=(
"${FILESDIR}"/${P}-buildsystem.patch
)
src_prepare() {
default
local i
sed \
-e "s/\tcsh/\tsh/" \
-i auto{dock,grid}/Makefile.am || die
for i in autodock autogrid; do
pushd $i &>/dev/null
eautoreconf
popd &>/dev/null
done
}
src_configure() {
local i
for i in autodock autogrid; do
pushd $i &>/dev/null
econf $(use_enable openmp)
popd &>/dev/null
done
}
src_compile() {
emake -C autodock
emake -C autogrid
}
src_test() {
elog "Testing autodock"
cd "${S}/autodock/Tests" || die
cp ../*.dat . || die
${EPYTHON} test_autodock4.py || die "AutoDock tests failed."
einfo "Testing autogrid"
cd "${S}/autogrid/Tests" || die
${EPYTHON} test_autogrid4.py || die "AutoGrid tests failed."
}
src_install() {
if use openmp; then
newbin autodock/autodock4.omp ${PN}4
dobin autogrid/autogrid4
else
dobin autodock/autodock4 autogrid/autogrid4
fi
insinto /usr/share/${PN}
doins -r \
autodock/{AD4_parameters.dat,AD4_PARM99.dat} \
$(usex examples "autodock/EXAMPLES" "")
DOCS=(
RELEASENOTES
autodock/{AUTHORS,README}
autodock/USERGUIDES/AutoDock4.{0,1,2}_UserGuide.doc
autodock/USERGUIDES/AutoDock4.2_UserGuide.pdf
)
einstalldocs
readme.gentoo_create_doc
}
pkg_postinst() {
readme.gentoo_print_elog
}
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