Update GAMESS easyblock for 20240715-R2 #3990
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If you are able, please upload a test report for older gamess e.g. something like will put a test report in here for that. |
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Test report by @sven-hansen Overview of tested easyconfigs (in order)
Build succeeded for 2 out of 2 (2 easyconfigs in total) |
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This PR enhances the GAMESS easyblock to install 20240715-R2 and hopefully upcoming versions as well. The README suggests using the Makefile rather than directly using the old comp*
scripts and lked. Building with the Makefile fixes some issues with compilation order for OpenMP-enabled builds and also significantly reduces compilation time at the cost of one extra patch. It also uses the rungms-dev script rather than the old rungms script which includes Slurm support. Because both rungms and the Makefile need some version-specific patches, the new build procedure is only used for 20240715-R2 onward to maintain backward compatibility with old ECs.