MolSSI / QCFractal

A distributed compute and database platform for quantum chemistry.

https://molssi.github.io/QCFractal/

BSD 3-Clause "New" or "Revised" License

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Fix #683 #684

Closed jthorton closed 2 years ago

jthorton commented 2 years ago

Description

This should fix 683 by lowering the keyword alias before searching for the default parameters and adding compute.

[ ] Code base linted
[ ] Ready to go

codecov[bot] commented 2 years ago

Codecov Report

Merging #684 (140db36) into master (5a8e4dc) will increase coverage by 0.00%. The diff coverage is 100.00%.

bennybp commented 2 years ago

Thanks for the quick fix.

Does it make sense to have case-sensitive keyword aliases in the future? I personally don't think so but maybe you have a use case?

jthorton commented 2 years ago

No problem always happy to contribute to an awesome project!

Does it make sense to have case-sensitive keyword aliases in the future? I personally don't think so but maybe you have a use case?

I also don't think so, lowering is fine for us. Maybe the docstring for add keywords should also be changed to communicate that the alias is always lowered?

bennybp commented 2 years ago

Ok I will keep that in mind in the new versions. Thanks!