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authorAnna (cybertailor) Vyalkova <cyber+gentoo@sysrq.in>2021-07-19 15:55:37 +0500
committerAnna (cybertailor) Vyalkova <cyber+gentoo@sysrq.in>2021-07-22 13:27:39 +0500
commit4d7271caedd3ec77361bba7d98772767dfee8b78 (patch)
tree48a5310a0e545fa71f0764cd87fc877571234311 /sci-biology
parentapp-misc/watchexec: version bump 1.17.0 (diff)
downloadguru-4d7271caedd3ec77361bba7d98772767dfee8b78.tar.gz
guru-4d7271caedd3ec77361bba7d98772767dfee8b78.tar.bz2
guru-4d7271caedd3ec77361bba7d98772767dfee8b78.zip
sci-biology/cmdock: make it prettier, fix perms
Signed-off-by: Anna (cybertailor) Vyalkova <cyber+gentoo@sysrq.in>
Diffstat (limited to 'sci-biology')
-rw-r--r--sci-biology/cmdock/cmdock-0.1.3.ebuild31
-rw-r--r--sci-biology/cmdock/files/cmdock-boinc-zcp_job_0.1.3.xml10
-rw-r--r--sci-biology/cmdock/metadata.xml1
3 files changed, 30 insertions, 12 deletions
diff --git a/sci-biology/cmdock/cmdock-0.1.3.ebuild b/sci-biology/cmdock/cmdock-0.1.3.ebuild
index e42b1f253..13e4bc2cc 100644
--- a/sci-biology/cmdock/cmdock-0.1.3.ebuild
+++ b/sci-biology/cmdock/cmdock-0.1.3.ebuild
@@ -10,7 +10,7 @@ DOCS_DIR="docs"
inherit python-any-r1 docs meson
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"
S="${WORKDIR}/${PN}-v${PV}"
@@ -30,6 +30,8 @@ BDEPEND="
dev-libs/cxxopts
"
+MY_PREFIX="${EPREFIX}/opt/${P}"
+
src_prepare() {
default
rm -r include/indicators || die
@@ -38,7 +40,7 @@ src_prepare() {
src_configure() {
# very weird directory layout
local emesonargs=(
- --prefix="${EPREFIX}/opt/cmdock-${PV}"
+ --prefix="${MY_PREFIX}"
)
meson_src_configure
}
@@ -52,17 +54,32 @@ src_install() {
meson_src_install
if use boinc ; then
- insinto /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"
+ local project_root="/var/lib/boinc/projects/www.sidock.si_sidock"
+
+ 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}"
- dosym -r /usr/bin/boinc-wrapper /var/lib/boinc/projects/www.sidock.si_sidock/cmdock-boinc-zcp_wrapper_${PV}
+ cp "${FILESDIR}"/${wrapperjob} "${S}" || die
+ sed "s:@PREFIX@:${MY_PREFIX}:g" -i ${wrapperjob} || die
+ doins ${wrapperjob}
+ done
fi
}
pkg_postinst() {
if use boinc ; then
- touch /var/lib/boinc/projects/www.sidock.si_sidock/docking_out.sd || die
elog
elog "The easiest way to do something useful with this application"
elog "is to attach it to SiDock@home BOINC project."
diff --git a/sci-biology/cmdock/files/cmdock-boinc-zcp_job_0.1.3.xml b/sci-biology/cmdock/files/cmdock-boinc-zcp_job_0.1.3.xml
index 3c7818151..074bb29d4 100644
--- a/sci-biology/cmdock/files/cmdock-boinc-zcp_job_0.1.3.xml
+++ b/sci-biology/cmdock/files/cmdock-boinc-zcp_job_0.1.3.xml
@@ -1,13 +1,13 @@
<job_desc>
<task>
- <application>/opt/cmdock-0.1.3/build/cmdock</application>
+ <application>@PREFIX@/build/cmdock</application>
<stdout_filename>docking_log</stdout_filename>
- <command_line>-c -j 1 -r target.prm -p /opt/cmdock-0.1.3/data/scripts/dock.prm -f htvs.ptc -i ligands.sdf -o docking_out</command_line>
+ <command_line>-c -j 1 -r target.prm -p @PREFIX@/data/scripts/dock.prm -f htvs.ptc -i ligands.sdf -o docking_out</command_line>
<checkpoint_filename>docking_out.chk</checkpoint_filename>
<fraction_done_filename>docking_out.progress</fraction_done_filename>
- <setenv>CMDOCK_ROOT=/opt/cmdock-0.1.3</setenv>
- <setenv>LD_LIBRARY_PATH=/opt/cmdock-0.1.3/build:$LD_LIBRARY_PATH</setenv>
- <setenv>PERL5LIB=/opt/cmdock-0.1.3/lib:$PERL5LIB</setenv>
+ <setenv>CMDOCK_ROOT=@PREFIX@</setenv>
+ <setenv>LD_LIBRARY_PATH=@PREFIX@/build:$LD_LIBRARY_PATH</setenv>
+ <setenv>PERL5LIB=@PREFIX@/lib:$PERL5LIB</setenv>
</task>
<unzip_input>
<zipfilename>ligands.zip</zipfilename>
diff --git a/sci-biology/cmdock/metadata.xml b/sci-biology/cmdock/metadata.xml
index 9bb734387..f0cb44b3d 100644
--- a/sci-biology/cmdock/metadata.xml
+++ b/sci-biology/cmdock/metadata.xml
@@ -4,6 +4,7 @@
<upstream>
<remote-id type="gitlab">Jukic/cmdock</remote-id>
<bugs-to>https://gitlab.com/Jukic/cmdock/-/issues</bugs-to>
+ <doc>https://www.rxdock.org/api-documentation/devel/html</doc>
</upstream>
<maintainer type="person">
<email>cyber+gentoo@sysrq.in</email>