Extend PSI easyblock to use PCMSolver and CheMPS2#967
Merged
boegel merged 4 commits intoeasybuilders:developfrom Sep 9, 2016
Merged
Extend PSI easyblock to use PCMSolver and CheMPS2#967boegel merged 4 commits intoeasybuilders:developfrom
boegel merged 4 commits intoeasybuilders:developfrom
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| if get_software_root('impi'): | ||
| self.cfg.update('configopts', " -DENABLE_CSR=ON -DBLAS_TYPE=MKL") | ||
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| if self.cfg.name == "PSI4": |
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we also use this in PSI-4.0b6-20160201-intel-2016a-mt-Python-2.7.11.eb?
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yes, but I'm not gonna touch the old PSI anymore. And it's version hell anyway if I do that.
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@wpoely86 can you make a companion easyconfigs PR that cleans up the easyconfigs? |
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Once the original PR is merged yes. |
use self.name as guard rather than self.cfg.name
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tested with easybuilders/easybuild-easyconfigs#3312, lgtm, thanks @wpoely86! |
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@boegel please review