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Add GAMESS module

Open lgorenstein opened this issue 4 years ago • 2 comments

Please take a look at my attempt to create a module for the GAMESS container.

Took a bit of sweat because of a very particular input and output locations that require run-time binding, plus a funky entry point that expects a -c "cd /workspace && rungms $@" argument, but I think I got it to work (for the entry point, bypassed it completely with a singularity exec instead of run).

lgorenstein avatar Mar 09 '21 16:03 lgorenstein

Sorry, I've been unable to get this to work. I think the problem is with the container, not your environment module. I'll keep trying...

samcmill avatar Mar 19 '21 21:03 samcmill

Thank you! This container felt funky indeed (and it is also a pretty old GAMESS version, too). Do you know if there are there any plans for updating it with a 2020 version GAMESS? In the interim, please let me know if I can help with anything.

lgorenstein avatar Mar 19 '21 21:03 lgorenstein