We are pleased to announce the release of MoleQueue 0.7.1. Its source and binaries are available on our website and SourceForge. MoleQueue is a part of the Open Chemistry project, which was developed to integrate computational chemistry codes on the desktop and on high-performance computing (HPC) resources. It has been developed as a standalone, system-tray resident application that runs a graphical application and a local server (using local sockets for communication) that is powered by Qt. It supports the configuration of multiple queues (local and remote), each containing one-or-more programs for execution. Applications communicate with MoleQueue using JSON-RPC 2.0 over a local socket. They receive updates as the job state changes. A recent Source article describes MoleQueue in more detail.
We would like to acknowledge that the development of MoleQueue has been funded by a US Army SBIR with the Engineering Research Development Center under contract (W912HZ-12-C-0005) and developed at Kitware, Inc.