Macs in Chemistry

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PC Gamess/Firefly for Mac OS X

As of February 23, 2009, the PC GAMESSFirefly team is proud to announce the availability of the first official release of the PC GAMESS/Firefly package for Mac OS X/Intel platform.

List of some key features:

Free and fast! Proven reliability and performance of Windows/Linux PC GAMESS/Firefly.
Feature rich - supports all the functionality of Windows/Linux-based PC GAMESS/Firefly.
Runs on Mac OS X 10.4.x (Tiger) and 10.5.x (Leopard).
Parallel jobs run on SMP/multi-core hardware without additional software.
Installation is straightforward with a native DMG installer. New drag and drop job submission applications make running jobs significantly easier and more intuitive than most other ab-initio computational chemistry programs on the Mac platform. Just drag and drop your input file on to the appropriate run application for the number of CPU cores desired (or double-click and select) and your job will simply launch and open the output in a suitable text editor. All the necessary output files that may be needed for future follow-up jobs are automatically delivered to the input file directory. Everything is intended to be Mac friendly including a set of Mac-specific step by step Quick Start and Complete install and usage guides that should cover 90%+ of all potential questions for new users.
A batch job submission application and a STOP-FIREFLY-JOBS application which allows multiple job management.
A good set of third-party Mac native graphical applications is available to prepare input jobs as well as to visualize the output of those runs (e.g., WebMO). Most visualization tools that are not available natively for Mac work fine through Darwine or Crossover Wine.
There is an active community of Mac beta testers and Firefly community users to answer questions for new users.

This is the first official release, we are eager to hear what Mac computational chemistry users want to see (in additional to the usual bug fix issues) and to solict any developers that are interested to join the project.  This work by Thomas Patko work was really just meant to be a launching off point.  If you or any other associates might be interested, just contact him directly tpatko at gmail dot com.
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