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authorAnna (cybertailor) Vyalkova <cyber+gentoo@sysrq.in>2024-07-09 20:56:46 +0500
committerAnna (cybertailor) Vyalkova <cyber+gentoo@sysrq.in>2024-07-14 12:27:19 +0500
commit1a76004eaaa74e01bdbe8f2afacac8306fbe6d6f (patch)
tree8ee003cc5dd8c44b10b8ddd37f1989bf0e97f722
parentsci-biology/cmdock: drop 0.2.0-r0 (diff)
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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>
-rw-r--r--sci-biology/cmdock/cmdock-0.2.0-r2.ebuild (renamed from sci-biology/cmdock/cmdock-0.2.0-r1.ebuild)25
-rw-r--r--sci-biology/cmdock/files/app_info_0.2.0-r1.xml (renamed from sci-biology/cmdock/files/app_info_0.2.0.xml)14
-rw-r--r--sci-biology/cmdock/files/cmdock-l_job_0.2.0-r1.xml (renamed from sci-biology/cmdock/files/cmdock-l_job_0.2.0.xml)2
3 files changed, 20 insertions, 21 deletions
diff --git a/sci-biology/cmdock/cmdock-0.2.0-r1.ebuild b/sci-biology/cmdock/cmdock-0.2.0-r2.ebuild
index f46747447..55e83bffb 100644
--- a/sci-biology/cmdock/cmdock-0.2.0-r1.ebuild
+++ b/sci-biology/cmdock/cmdock-0.2.0-r2.ebuild
@@ -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
}
diff --git a/sci-biology/cmdock/files/app_info_0.2.0.xml b/sci-biology/cmdock/files/app_info_0.2.0-r1.xml
index ad23f7890..b9eb040fb 100644
--- a/sci-biology/cmdock/files/app_info_0.2.0.xml
+++ b/sci-biology/cmdock/files/app_info_0.2.0-r1.xml
@@ -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>
diff --git a/sci-biology/cmdock/files/cmdock-l_job_0.2.0.xml b/sci-biology/cmdock/files/cmdock-l_job_0.2.0-r1.xml
index a163eb29c..6d626fb82 100644
--- a/sci-biology/cmdock/files/cmdock-l_job_0.2.0.xml
+++ b/sci-biology/cmdock/files/cmdock-l_job_0.2.0-r1.xml
@@ -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>