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# Copyright 2021-2024 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
PYTHON_COMPAT=( python3_{10..12} )
BOINC_APP_OPTIONAL=1
inherit boinc-app flag-o-matic meson optfeature python-any-r1
DESCRIPTION="Program for docking ligands to proteins and nucleic acids"
HOMEPAGE="https://gitlab.com/Jukic/cmdock"
SRC_URI="https://gitlab.com/Jukic/${PN}/-/archive/v${PV}/${PN}-v${PV}.tar.bz2"
S="${WORKDIR}/${PN}-v${PV}"
LICENSE="LGPL-3 ZLIB"
SLOT="0/${PV}"
KEYWORDS="~amd64"
IUSE="apidoc cpu_flags_x86_sse2 doc test"
# Flaky tests
RESTRICT="test"
DEPEND="
dev-cpp/eigen:3
>=dev-cpp/indicators-2.3-r1
>=dev-cpp/pcg-cpp-0.98.1_p20210406-r1
>=dev-libs/cxxopts-3
"
BDEPEND="
apidoc? (
app-text/doxygen
dev-texlive/texlive-fontutils
)
doc? (
$(python_gen_any_dep '
dev-python/insipid-sphinx-theme[${PYTHON_USEDEP}]
dev-python/sphinx[${PYTHON_USEDEP}]
')
)
test? ( ${PYTHON_DEPS} )
"
PATCHES=(
"${FILESDIR}"/${P}-include.patch
"${FILESDIR}"/${P}-cxxopts.patch
)
DOCS=( README.md changelog.md )
BOINC_MASTER_URL="https://www.sidock.si/sidock/"
BOINC_INVITATION_CODE="Crunch_4Science"
BOINC_APP_HELPTEXT=\
"The easiest way to do something useful with this application
is to attach it to SiDock@home BOINC project."
INSTALL_PREFIX="${EPREFIX}/opt/${P}"
boinc-app_add_deps
python_check_deps() {
use doc || return 0
python_has_version "dev-python/sphinx[${PYTHON_USEDEP}]" &&
python_has_version "dev-python/insipid-sphinx-theme[${PYTHON_USEDEP}]"
}
foreach_wrapper_job() {
sed -e "s:@PREFIX@:${INSTALL_PREFIX}:g" -i "${1}" || die
}
src_prepare() {
default
python_fix_shebang "${S}"/bin
}
src_configure() {
# very weird directory layout
local emesonargs=(
--prefix="${INSTALL_PREFIX:?}"
$(meson_use apidoc)
$(meson_use doc)
$(meson_use test tests)
-Ddocdir="${EPREFIX}"/usr/share/doc/${PF}
)
meson_src_configure
use cpu_flags_x86_sse2 || append-cppflags "-DBUNDLE_NO_SSE"
}
src_install() {
meson_src_install
python_optimize "${D}${INSTALL_PREFIX:?}"/bin
if use boinc; then
boinc_install_appinfo "${FILESDIR}"/app_info_0.2.0-r1.xml
boinc_install_wrapper cmdock-l_wrapper \
"${FILESDIR}"/cmdock-l_job_0.2.0-r1.xml cmdock-l_job.xml
# install cmdock executable
exeinto "$(get_project_root)"
exeopts --owner root --group boinc
doexe "${D}${INSTALL_PREFIX:?}"/bin/cmdock
# install a blank file
insinto "$(get_project_root)"
insopts -m 0644 --owner root --group boinc
newins - docking_out
fi
}
pkg_postinst() {
optfeature "sdtether.py and sdrmsd.py scripts" "dev-python/numpy sci-chemistry/openbabel[python]"
use boinc && boinc-app_pkg_postinst
}
pkg_postrm() {
use boinc && boinc-app_pkg_postrm
}
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