mirror of
https://github.com/gentoo-mirror/guru.git
synced 2026-07-09 23:23:00 -04:00
sci-biology/cmdock: boinc fixes
* Update cmdline to the upstream current. Particularly, the option that causes CmDock to get stuck in an infinite loop in 1-5% of runs is removed. * Sync with boinc-app.eclass updates. Closes: https://bugs.gentoo.org/935231 Signed-off-by: Anna (cybertailor) Vyalkova <cyber+gentoo@sysrq.in>
This commit is contained in:
@@ -4,7 +4,7 @@
|
||||
EAPI=8
|
||||
|
||||
PYTHON_COMPAT=( python3_{10..12} )
|
||||
BOINC_APP_OPTIONAL="true"
|
||||
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"
|
||||
@@ -15,14 +15,11 @@ S="${WORKDIR}/${PN}-v${PV}"
|
||||
LICENSE="LGPL-3 ZLIB"
|
||||
SLOT="0/${PV}"
|
||||
KEYWORDS="~amd64"
|
||||
IUSE="apidoc boinc cpu_flags_x86_sse2 doc test"
|
||||
IUSE="apidoc cpu_flags_x86_sse2 doc test"
|
||||
|
||||
# Flaky tests
|
||||
RESTRICT="test"
|
||||
|
||||
RDEPEND="
|
||||
boinc? ( sci-misc/boinc-wrapper )
|
||||
"
|
||||
DEPEND="
|
||||
dev-cpp/eigen:3
|
||||
>=dev-cpp/indicators-2.3-r1
|
||||
@@ -58,6 +55,8 @@ 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
|
||||
|
||||
@@ -77,7 +76,7 @@ src_prepare() {
|
||||
src_configure() {
|
||||
# very weird directory layout
|
||||
local emesonargs=(
|
||||
--prefix="${INSTALL_PREFIX}"
|
||||
--prefix="${INSTALL_PREFIX:?}"
|
||||
$(meson_use apidoc)
|
||||
$(meson_use doc)
|
||||
$(meson_use test tests)
|
||||
@@ -90,22 +89,22 @@ src_configure() {
|
||||
|
||||
src_install() {
|
||||
meson_src_install
|
||||
python_optimize "${D}${INSTALL_PREFIX}"/bin
|
||||
python_optimize "${D}${INSTALL_PREFIX:?}"/bin
|
||||
|
||||
if use boinc; then
|
||||
doappinfo "${FILESDIR}"/app_info_${PV}.xml
|
||||
dowrapper cmdock-l
|
||||
boinc_install_appinfo "${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
|
||||
newexe "${D}${INSTALL_PREFIX}"/bin/cmdock cmdock-${PV}
|
||||
doexe "${D}${INSTALL_PREFIX:?}"/bin/cmdock
|
||||
|
||||
# install a blank file
|
||||
touch "${T}"/docking_out || die
|
||||
insinto "$(get_project_root)"
|
||||
insopts --owner root --group boinc
|
||||
doins "${T}"/docking_out
|
||||
insopts -m 0644 --owner root --group boinc
|
||||
newins - docking_out
|
||||
fi
|
||||
}
|
||||
|
||||
@@ -1,22 +1,22 @@
|
||||
<app_info>
|
||||
<app>
|
||||
<name>cmdock-l</name>
|
||||
<user_friendly_name>CurieMarieDock 0.2.0 long tasks</user_friendly_name>
|
||||
<user_friendly_name>CurieMarieDock @PV@ long tasks</user_friendly_name>
|
||||
</app>
|
||||
|
||||
<file_info>
|
||||
<name>cmdock-l_wrapper_@PV@</name>
|
||||
<name>cmdock-l_wrapper</name>
|
||||
<sticky/>
|
||||
<executable/>
|
||||
</file_info>
|
||||
<file_info>
|
||||
<name>cmdock-@PV@</name>
|
||||
<name>cmdock</name>
|
||||
<sticky/>
|
||||
<executable/>
|
||||
</file_info>
|
||||
|
||||
<file_info>
|
||||
<name>cmdock-l_job_@PV@.xml</name>
|
||||
<name>cmdock-l_job.xml</name>
|
||||
<sticky/>
|
||||
</file_info>
|
||||
<file_info>
|
||||
@@ -28,16 +28,16 @@
|
||||
<app_name>cmdock-l</app_name>
|
||||
<version_num>100</version_num>
|
||||
<file_ref>
|
||||
<file_name>cmdock-l_wrapper_@PV@</file_name>
|
||||
<file_name>cmdock-l_wrapper</file_name>
|
||||
<main_program/>
|
||||
</file_ref>
|
||||
<file_ref>
|
||||
<file_name>cmdock-@PV@</file_name>
|
||||
<file_name>cmdock</file_name>
|
||||
<open_name>cmdock</open_name>
|
||||
<copy_file/>
|
||||
</file_ref>
|
||||
<file_ref>
|
||||
<file_name>cmdock-l_job_@PV@.xml</file_name>
|
||||
<file_name>cmdock-l_job.xml</file_name>
|
||||
<open_name>job.xml</open_name>
|
||||
<copy_file/>
|
||||
</file_ref>
|
||||
@@ -2,7 +2,7 @@
|
||||
<task>
|
||||
<application>cmdock</application>
|
||||
<stdout_filename>docking_log</stdout_filename>
|
||||
<command_line>-c -j 1 -b 1 -x -r target.prm -p "@PREFIX@/data/scripts/dock.prm" -f htvs.ptc -i ligands.sdf -o docking_out</command_line>
|
||||
<command_line>-c -j 1 -b 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=@PREFIX@</setenv>
|
||||
Reference in New Issue
Block a user