cryos / molequeue

Desktop integration of high performance computing resources

MoleQueue

Introduction

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. 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. Some highlights:

• Open source distributed under the liberal 3-clause BSD license
• Cross platform with nightly builds on Linux, Mac OS X and Windows
• Intuitive interface designed to be useful to whole community
• Support for local executation and remote schedulers (SGE, PBS, SLURM)
• System tray resident application managing queue of queues and job lifetime
• Simple, lightweight JSON-RPC 2.0 based communication over local sockets
• Qt 5 client library for simple integration in Qt applications

MoleQueue is being developed as part of the Open Chemistry project at Kitware, along with companion tools and libraries to support the work.

Installing

We provide nightly binaries built by our dashboards for Mac OS X and Windows. If you would like to build from source we recommend that you follow our building Open Chemistry guide that will take care of building most dependencies.

Contributing

Our project uses the standard GitHub pull request process for code review and integration. Please check our development guide for more details on developing and contributing to the project. The GitHub issue tracker can be used to report bugs, make feature requests, etc.

Our wiki is used to document features, flesh out designs and host other documentation. Our API is documented using Doxygen with updated documentation generated nightly. We have several mailing lists to coordinate development and to provide support.