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113 lines
2.5 KiB
Bash
113 lines
2.5 KiB
Bash
# Copyright 2021-2022 Gentoo Authors
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# Distributed under the terms of the GNU General Public License v2
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EAPI=8
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PYTHON_COMPAT=( python3_{10..11} )
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BOINC_APP_OPTIONAL="true"
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inherit boinc-app flag-o-matic meson optfeature python-any-r1
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DESCRIPTION="Program for docking ligands to proteins and nucleic acids"
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HOMEPAGE="https://gitlab.com/Jukic/cmdock"
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SRC_URI="https://gitlab.com/Jukic/${PN}/-/archive/v${PV}/${PN}-v${PV}.tar.bz2"
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S="${WORKDIR}/${PN}-v${PV}"
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LICENSE="LGPL-3 ZLIB"
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SLOT="0/${PV}"
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KEYWORDS="~amd64"
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IUSE="apidoc boinc cpu_flags_x86_sse2 doc test"
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RESTRICT="!test? ( test )"
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RDEPEND="
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boinc? ( sci-misc/boinc-wrapper )
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"
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DEPEND="
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dev-cpp/eigen:3
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dev-cpp/indicators
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>=dev-cpp/pcg-cpp-0.98.1_p20210406-r1
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dev-libs/cxxopts
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"
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BDEPEND="
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apidoc? (
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app-doc/doxygen
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dev-texlive/texlive-fontutils
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)
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doc? (
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$(python_gen_any_dep '
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dev-python/insipid-sphinx-theme[${PYTHON_USEDEP}]
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dev-python/sphinx[${PYTHON_USEDEP}]
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')
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)
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test? ( ${PYTHON_DEPS} )
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"
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DOCS=( README.md changelog.md )
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BOINC_MASTER_URL="https://www.sidock.si/sidock/"
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BOINC_INVITATION_CODE="Crunch_4Science"
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BOINC_APP_HELPTEXT=\
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"The easiest way to do something useful with this application
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is to attach it to SiDock@home BOINC project."
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INSTALL_PREFIX="${EPREFIX}/opt/${P}"
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python_check_deps() {
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use doc || return 0
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python_has_version "dev-python/sphinx[${PYTHON_USEDEP}]" &&
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python_has_version "dev-python/insipid-sphinx-theme[${PYTHON_USEDEP}]"
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}
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foreach_wrapper_job() {
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sed -e "s:@PREFIX@:${INSTALL_PREFIX}:g" -i "${1}" || die
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}
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src_prepare() {
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default
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python_fix_shebang "${S}"/bin
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}
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src_configure() {
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# very weird directory layout
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local emesonargs=(
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--prefix="${INSTALL_PREFIX}"
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$(meson_use apidoc)
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$(meson_use doc)
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$(meson_use test tests)
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-Ddocdir="${EPREFIX}"/usr/share/doc/${PF}
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)
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meson_src_configure
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use cpu_flags_x86_sse2 || append-cppflags "-DBUNDLE_NO_SSE"
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}
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src_install() {
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meson_src_install
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python_optimize "${D}${INSTALL_PREFIX}"/bin
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if use boinc; then
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doappinfo "${FILESDIR}"/app_info_${PV}.xml
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dowrapper cmdock-l
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# install cmdock executable
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exeinto "$(get_project_root)"
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exeopts --owner root --group boinc
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newexe "${D}${INSTALL_PREFIX}"/bin/cmdock cmdock-${PV}
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# install a blank file
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touch "${T}"/docking_out || die
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insinto "$(get_project_root)"
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insopts --owner root --group boinc
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doins "${T}"/docking_out
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fi
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}
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pkg_postinst() {
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optfeature "sdtether.py and sdrmsd.py scripts" "dev-python/numpy sci-chemistry/openbabel[python]"
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use boinc && boinc-app_pkg_postinst
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}
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pkg_postrm() {
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use boinc && boinc-app_pkg_postrm
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}
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