sci-biology/cmdock: make it prettier, fix perms

Signed-off-by: Anna (cybertailor) Vyalkova <cyber+gentoo@sysrq.in>
This commit is contained in:
Anna (cybertailor) Vyalkova
2021-07-19 15:55:37 +05:00
parent 84e98a94c9
commit 4d7271caed
3 changed files with 30 additions and 12 deletions

View File

@@ -10,7 +10,7 @@ DOCS_DIR="docs"
inherit python-any-r1 docs meson inherit python-any-r1 docs meson
DESCRIPTION="Program for docking ligands to proteins and nucleic acids" DESCRIPTION="Program for docking ligands to proteins and nucleic acids"
HOMEPAGE="https://gitlab.com/Jukic/cmdock" HOMEPAGE="https://gitlab.com/Jukic/cmdock https://www.rxdock.org"
SRC_URI="https://gitlab.com/Jukic/${PN}/-/archive/v${PV}/${PN}-v${PV}.tar.gz" SRC_URI="https://gitlab.com/Jukic/${PN}/-/archive/v${PV}/${PN}-v${PV}.tar.gz"
S="${WORKDIR}/${PN}-v${PV}" S="${WORKDIR}/${PN}-v${PV}"
@@ -30,6 +30,8 @@ BDEPEND="
dev-libs/cxxopts dev-libs/cxxopts
" "
MY_PREFIX="${EPREFIX}/opt/${P}"
src_prepare() { src_prepare() {
default default
rm -r include/indicators || die rm -r include/indicators || die
@@ -38,7 +40,7 @@ src_prepare() {
src_configure() { src_configure() {
# very weird directory layout # very weird directory layout
local emesonargs=( local emesonargs=(
--prefix="${EPREFIX}/opt/cmdock-${PV}" --prefix="${MY_PREFIX}"
) )
meson_src_configure meson_src_configure
} }
@@ -52,17 +54,32 @@ src_install() {
meson_src_install meson_src_install
if use boinc ; then if use boinc ; then
insinto /var/lib/boinc/projects/www.sidock.si_sidock local project_root="/var/lib/boinc/projects/www.sidock.si_sidock"
newins "${FILESDIR}/app_info_${PV}.xml" app_info.xml
doins "${FILESDIR}/cmdock-boinc-zcp_job_${PV}.xml"
dosym -r /usr/bin/boinc-wrapper /var/lib/boinc/projects/www.sidock.si_sidock/cmdock-boinc-zcp_wrapper_${PV} local wrappers=( ${PN}-boinc-zcp )
insinto ${project_root}
insopts --owner boinc --group boinc
newins "${FILESDIR}"/app_info_${PV}.xml app_info.xml
touch "${ED}${project_root}"/docking_out.sd || die
fowners boinc:boinc ${project_root}/docking_out.sd
for app in "${wrappers[@]}" ; do
wrapperjob="${app}_job_${PV}.xml"
wrapperexe="${app}_wrapper_${PV}"
dosym -r /usr/bin/boinc-wrapper "${project_root}/${wrapperexe}"
cp "${FILESDIR}"/${wrapperjob} "${S}" || die
sed "s:@PREFIX@:${MY_PREFIX}:g" -i ${wrapperjob} || die
doins ${wrapperjob}
done
fi fi
} }
pkg_postinst() { pkg_postinst() {
if use boinc ; then if use boinc ; then
touch /var/lib/boinc/projects/www.sidock.si_sidock/docking_out.sd || die
elog elog
elog "The easiest way to do something useful with this application" elog "The easiest way to do something useful with this application"
elog "is to attach it to SiDock@home BOINC project." elog "is to attach it to SiDock@home BOINC project."

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@@ -1,13 +1,13 @@
<job_desc> <job_desc>
<task> <task>
<application>/opt/cmdock-0.1.3/build/cmdock</application> <application>@PREFIX@/build/cmdock</application>
<stdout_filename>docking_log</stdout_filename> <stdout_filename>docking_log</stdout_filename>
<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> <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>
<checkpoint_filename>docking_out.chk</checkpoint_filename> <checkpoint_filename>docking_out.chk</checkpoint_filename>
<fraction_done_filename>docking_out.progress</fraction_done_filename> <fraction_done_filename>docking_out.progress</fraction_done_filename>
<setenv>CMDOCK_ROOT=/opt/cmdock-0.1.3</setenv> <setenv>CMDOCK_ROOT=@PREFIX@</setenv>
<setenv>LD_LIBRARY_PATH=/opt/cmdock-0.1.3/build:$LD_LIBRARY_PATH</setenv> <setenv>LD_LIBRARY_PATH=@PREFIX@/build:$LD_LIBRARY_PATH</setenv>
<setenv>PERL5LIB=/opt/cmdock-0.1.3/lib:$PERL5LIB</setenv> <setenv>PERL5LIB=@PREFIX@/lib:$PERL5LIB</setenv>
</task> </task>
<unzip_input> <unzip_input>
<zipfilename>ligands.zip</zipfilename> <zipfilename>ligands.zip</zipfilename>

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@@ -4,6 +4,7 @@
<upstream> <upstream>
<remote-id type="gitlab">Jukic/cmdock</remote-id> <remote-id type="gitlab">Jukic/cmdock</remote-id>
<bugs-to>https://gitlab.com/Jukic/cmdock/-/issues</bugs-to> <bugs-to>https://gitlab.com/Jukic/cmdock/-/issues</bugs-to>
<doc>https://www.rxdock.org/api-documentation/devel/html</doc>
</upstream> </upstream>
<maintainer type="person"> <maintainer type="person">
<email>cyber+gentoo@sysrq.in</email> <email>cyber+gentoo@sysrq.in</email>