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sci-biology/cmdock: make it prettier, fix perms
Signed-off-by: Anna (cybertailor) Vyalkova <cyber+gentoo@sysrq.in>
This commit is contained in:
@@ -10,7 +10,7 @@ DOCS_DIR="docs"
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inherit python-any-r1 docs meson
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inherit python-any-r1 docs meson
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DESCRIPTION="Program for docking ligands to proteins and nucleic acids"
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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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HOMEPAGE="https://gitlab.com/Jukic/cmdock https://www.rxdock.org"
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SRC_URI="https://gitlab.com/Jukic/${PN}/-/archive/v${PV}/${PN}-v${PV}.tar.gz"
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SRC_URI="https://gitlab.com/Jukic/${PN}/-/archive/v${PV}/${PN}-v${PV}.tar.gz"
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S="${WORKDIR}/${PN}-v${PV}"
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S="${WORKDIR}/${PN}-v${PV}"
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@@ -30,6 +30,8 @@ BDEPEND="
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dev-libs/cxxopts
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dev-libs/cxxopts
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"
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"
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MY_PREFIX="${EPREFIX}/opt/${P}"
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src_prepare() {
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src_prepare() {
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default
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default
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rm -r include/indicators || die
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rm -r include/indicators || die
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@@ -38,7 +40,7 @@ src_prepare() {
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src_configure() {
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src_configure() {
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# very weird directory layout
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# very weird directory layout
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local emesonargs=(
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local emesonargs=(
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--prefix="${EPREFIX}/opt/cmdock-${PV}"
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--prefix="${MY_PREFIX}"
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)
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)
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meson_src_configure
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meson_src_configure
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}
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}
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@@ -52,17 +54,32 @@ src_install() {
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meson_src_install
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meson_src_install
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if use boinc ; then
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if use boinc ; then
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insinto /var/lib/boinc/projects/www.sidock.si_sidock
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local project_root="/var/lib/boinc/projects/www.sidock.si_sidock"
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newins "${FILESDIR}/app_info_${PV}.xml" app_info.xml
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doins "${FILESDIR}/cmdock-boinc-zcp_job_${PV}.xml"
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dosym -r /usr/bin/boinc-wrapper /var/lib/boinc/projects/www.sidock.si_sidock/cmdock-boinc-zcp_wrapper_${PV}
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local wrappers=( ${PN}-boinc-zcp )
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insinto ${project_root}
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insopts --owner boinc --group boinc
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newins "${FILESDIR}"/app_info_${PV}.xml app_info.xml
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touch "${ED}${project_root}"/docking_out.sd || die
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fowners boinc:boinc ${project_root}/docking_out.sd
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for app in "${wrappers[@]}" ; do
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wrapperjob="${app}_job_${PV}.xml"
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wrapperexe="${app}_wrapper_${PV}"
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dosym -r /usr/bin/boinc-wrapper "${project_root}/${wrapperexe}"
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cp "${FILESDIR}"/${wrapperjob} "${S}" || die
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sed "s:@PREFIX@:${MY_PREFIX}:g" -i ${wrapperjob} || die
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doins ${wrapperjob}
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done
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fi
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fi
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}
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}
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pkg_postinst() {
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pkg_postinst() {
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if use boinc ; then
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if use boinc ; then
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touch /var/lib/boinc/projects/www.sidock.si_sidock/docking_out.sd || die
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elog
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elog
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elog "The easiest way to do something useful with this application"
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elog "The easiest way to do something useful with this application"
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elog "is to attach it to SiDock@home BOINC project."
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elog "is to attach it to SiDock@home BOINC project."
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@@ -1,13 +1,13 @@
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<job_desc>
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<job_desc>
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<task>
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<task>
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<application>/opt/cmdock-0.1.3/build/cmdock</application>
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<application>@PREFIX@/build/cmdock</application>
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<stdout_filename>docking_log</stdout_filename>
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<stdout_filename>docking_log</stdout_filename>
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<command_line>-c -j 1 -r target.prm -p /opt/cmdock-0.1.3/data/scripts/dock.prm -f htvs.ptc -i ligands.sdf -o docking_out</command_line>
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<command_line>-c -j 1 -r target.prm -p @PREFIX@/data/scripts/dock.prm -f htvs.ptc -i ligands.sdf -o docking_out</command_line>
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<checkpoint_filename>docking_out.chk</checkpoint_filename>
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<checkpoint_filename>docking_out.chk</checkpoint_filename>
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<fraction_done_filename>docking_out.progress</fraction_done_filename>
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<fraction_done_filename>docking_out.progress</fraction_done_filename>
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<setenv>CMDOCK_ROOT=/opt/cmdock-0.1.3</setenv>
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<setenv>CMDOCK_ROOT=@PREFIX@</setenv>
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<setenv>LD_LIBRARY_PATH=/opt/cmdock-0.1.3/build:$LD_LIBRARY_PATH</setenv>
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<setenv>LD_LIBRARY_PATH=@PREFIX@/build:$LD_LIBRARY_PATH</setenv>
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<setenv>PERL5LIB=/opt/cmdock-0.1.3/lib:$PERL5LIB</setenv>
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<setenv>PERL5LIB=@PREFIX@/lib:$PERL5LIB</setenv>
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</task>
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</task>
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<unzip_input>
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<unzip_input>
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<zipfilename>ligands.zip</zipfilename>
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<zipfilename>ligands.zip</zipfilename>
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@@ -4,6 +4,7 @@
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<upstream>
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<upstream>
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<remote-id type="gitlab">Jukic/cmdock</remote-id>
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<remote-id type="gitlab">Jukic/cmdock</remote-id>
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<bugs-to>https://gitlab.com/Jukic/cmdock/-/issues</bugs-to>
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<bugs-to>https://gitlab.com/Jukic/cmdock/-/issues</bugs-to>
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<doc>https://www.rxdock.org/api-documentation/devel/html</doc>
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</upstream>
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</upstream>
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<maintainer type="person">
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<maintainer type="person">
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<email>cyber+gentoo@sysrq.in</email>
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<email>cyber+gentoo@sysrq.in</email>
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