Summary
MoleQueue is an open-source, cross-platform, system-tray resident desktop application for abstracting, managing, and coordinating the execution of tasks both locally and on remote computational resources. It is built and tested and Linux, Mac OS X, and Windows, with nightly binaries currently available for Mac OS X and Windows. Users can set up local and remote queues that describe where the task will be executed. Each queue can have programs, with templates to facilitate the execution of the program. Input files can be staged, and output files collected using a standard interface.
Versions
v0.9.0-r1 :: 0 :: gentoo
- Modified
- License
- BSD
- Keywords
- ~amd64 ~amd64-linux ~x86 ~x86-linux
- USE flags
- client doc server test zeromq
USE flags
General
- client
- Build the client application
- doc
- Add extra documentation (API, Javadoc, etc). It is recommended to enable per package instead of globally
- server
- Build the serve application
- test
- Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)
- zeromq
- Build with net-libs/zeromq support
python_targets
- python3_10
- Build with Python 3.10
- python3_11
- Build with Python 3.11
Dependencies
dev-lang / python : An interpreted, interactive, object-oriented programming language
dev-qt / qtcore : Cross-platform application development framework
dev-qt / qtgui : The GUI module and platform plugins for the Qt5 framework
dev-qt / qtnetwork : Network abstraction library for the Qt5 framework
dev-qt / qtwidgets : Set of components for creating classic desktop-style UIs for the Qt5 framework
Runtime Dependencies
dev-lang / python : An interpreted, interactive, object-oriented programming language
dev-qt / qtcore : Cross-platform application development framework
dev-qt / qtgui : The GUI module and platform plugins for the Qt5 framework
dev-qt / qtnetwork : Network abstraction library for the Qt5 framework
dev-qt / qtwidgets : Set of components for creating classic desktop-style UIs for the Qt5 framework
Depending packages
sci-chemistry / avogadro2 : Advanced molecule editor and visualizer 2
sci-libs / avogadrolibs : Advanced molecule editor and visualizer 2 - libraries
Bugs
Change logs
- Repository mirror & CI · gentoo
Merge updates from master - David Seifert · gentoo
*/*: remove py3.8 from PYTHON_COMPAT
Signed-off-by: David Seifert <soap@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Arthur Zamarin · gentoo
sci-chemistry/molequeue: fix UnquotedVariable
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Andrew Ammerlaan · gentoo
sci-chemistry/molequeue: enable py3.10, py3.11 and disable py3.7
Fix build with USE="doc zeromq", if zeromq is enabled the docs are built into the ..._pythonX_Y BUILD_DIR instead of the cmake BUILD_DIR. Therefore we have to define HTML_DOCS within python_foreach_impl Closes: https://bugs.gentoo.org/846227 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Michał Górny · gentoo
*/*: Remove obsolete values from PYTHON_COMPAT
Signed-off-by: Michał Górny <mgorny@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Michał Górny · gentoo
sci-chemistry/molequeue: Remove old
Signed-off-by: Michał Górny <mgorny@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Pacho Ramos · gentoo
sci-chemistry/molequeue: Switch to python3
- Switch to python3, bug #735464 - python is not always needed, bug #710454 - Port to cmake.eclass - Drop unneeded patch that was breaking configure with tests. Restrict tests as they are broken anyway. - Update virtualx.eclass usage Bug: https://bugs.gentoo.org/735464 Closes: https://bugs.gentoo.org/741422 Closes: https://bugs.gentoo.org/710454 Thanks-to: Samuel Bauer Package-Manager: Portage-3.0.4, Repoman-3.0.1 Signed-off-by: Pacho Ramos <pacho@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Michał Górny · gentoo
*/*: [QA] Fix trivial cases of MissingTestRestrict
The result was achieved via the following pipeline: pkgcheck scan -c RestrictTestCheck -R FormatReporter \ --format '{category}/{package}/{package}-{version}.ebuild' | xargs -n32 grep -L RESTRICT | xargs -n32 sed -i -e '/^IUSE=.*test/aRESTRICT="!test? ( test )"' The resulting metadata was compared before and after the change. Few Go ebuilds had to be fixed manually due to implicit RESTRICT=strip added by the eclass. Two ebuilds have to be fixed because of multiline IUSE. Suggested-by: Robin H. Johnson <robbat2@gentoo.org> Closes: https://github.com/gentoo/gentoo/pull/13942 Signed-off-by: Michał Górny <mgorny@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Andreas Sturmlechner · gentoo
sci-chemistry/molequeue: Drop 0.8.0
Package-Manager: Portage-2.3.67, Repoman-2.3.14 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org> - Andreas Sturmlechner · gentoo
sci-chemistry/molequeue: EAPI-7 bump
Package-Manager: Portage-2.3.67, Repoman-2.3.14 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org> - Andreas Sturmlechner · gentoo
sci-chemistry/molequeue: 0.9.0 version bump, build with Qt-5.11_beta3
Package-Manager: Portage-2.3.29, Repoman-2.3.9 - Andreas Sturmlechner · gentoo
sci-chemistry/molequeue: EAPI 6, missing deps
Package-Manager: Portage-2.3.19, Repoman-2.3.6 - Andreas Sturmlechner · gentoo
sci-chemistry/molequeue: Fix cmake error
Closes: https://bugs.gentoo.org/596972 Package-Manager: Portage-2.3.19, Repoman-2.3.6 - Andreas Sturmlechner · gentoo
sci-chemistry/molequeue: Fix HOMEPAGE
Package-Manager: Portage-2.3.19, Repoman-2.3.6 - David Seifert · gentoo
sci-chemistry/molequeue: [QA] Add cmake-utils_src_prepare
Package-Manager: Portage-2.3.11, Repoman-2.3.3 - Michael Palimaka · gentoo
sci-chemistry/molequeue: remove 0.7.1
Package-Manager: Portage-2.3.8, Repoman-2.3.3 - Robin H. Johnson · gentoo
Drop $Id$ per council decision in bug #611234.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> - Justin Lecher · gentoo
Merge branch 'SoapZaNet-avogadro'
* SoapZaNet-avogadro: sci-libs/avogadrolibs: Add patch to fix underlinking with -Wl,--no-undefined. sci-chemistry/molequeue: Version bump, required to unbundle third-party libraries. - Ted Tanberry · gentoo
sci-chemistry/molequeue: Version bump, required to unbundle third-party libraries.
Package-Manager: portage-2.2.26 - Robin H. Johnson · gentoo
proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed