Bug#540813: ITP: gamessq -- gamess scheduling frontend
Package: wnpp
Severity: wishlist
Owner: Patrick Winnertz <winnie@debian.org>
* Package name : gamessq
Version : 1.1
Upstream Author : Brett Bode <brett@scl.ameslab.gov>
* URL : http://www.msg.chem.iastate.edu/GAMESS/GamessQ/
* License : GPLv3
Programming Lang: C
Description : gamess scheduling frontend
gamessQ provides a queueing functionality for GAMESS computations running on
your local desktop/laptop. gamessQ is a gui application and provides drag
and drop fucntionality for running jobs with gamess that would otherwise
require the use of the command line.
..
Key Features:
* Automatic execution of GAMESS jobs.
* Allows you to specify the number of processors to use for each job.
* Advanced process management allowing the user to pause and resume jobs
without loosing data.
* Backend daemon keeps the queue active even when you close the interface
or log out.
* Batch job operations. Every job operation can be done to multiple jobs
at a time, allowing you to more easily manage a large queue.
* A command line interface allowing you to manage the entire queue without
a GUI.
* Interface provided in MacMolPlt to send GAMESS jobs to gamessQ and in
gamessQ to open the output in MacMolPlt.
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