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libAtoms / ExPyRe

Execute Python Remotely
GNU General Public License v2.0
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get queuing system header from more places #7

Closed bernstei closed 2 years ago

bernstei commented 2 years ago

Enable per-job header lines that are passed to ExPyRe.start(..., header_extra=['#$ header1', '#$ header2'], ...)

Is there a need for other sources, e.g. per partition in .expyre/config.json ?

Note that wfl will need a corresponding patch to pass this info.

bernstei commented 2 years ago

Do we want to wait on the ACE1 update, until that's actually working property?

bernstei commented 2 years ago

OK. Merging this now, since I redid the workflow PRs so the header stuff can be merged before the ACE1 changes.

gelzinyte commented 2 years ago

Yes, I think it was ok to merge, because this should be completely separated from ACE1 update.