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+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+inherit autotools readme.gentoo-r1
+
+MY_PN="autodocksuite"
+MY_P="${MY_PN}-${PV}"
+
+DESCRIPTION="A suite of automated docking tools"
+HOMEPAGE="https://autodock.scripps.edu/"
+SRC_URI="
+ https://autodock.scripps.edu/downloads/autodock-registration/tars/dist$(ver_rs 1- '')/${MY_P}-src.tar.gz
+ https://dev.gentoo.org/~andrewammerlaan/${PN}-4.2.6-drop-register-keyword.patch
+"
+S="${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
+ "${DISTDIR}"/${PN}-4.2.6-drop-register-keyword.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 $(use_enable openmp)
+ popd &>/dev/null
+ done
+}
+
+src_compile() {
+ emake -C autodock
+ emake -C autogrid
+}
+
+# Refer: https://github.com/gentoo/gentoo/pull/31489/files#r1321120609
+#src_test() {
+# elog "Testing autodock"
+# cd "${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
+}