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eljost / thermoanalysis

Stand-alone thermochemistry in python for ORCA and Gaussian.
GNU General Public License v3.0
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PyPI Deployment/Versioning #8

Open cvsik opened 3 months ago

cvsik commented 3 months ago

Hi,

many thanks for the great and super useful tool. Do you think it might be possible to enable the GHA pipeline that does the PyPI deployment and add versioning to thermoanalysis? I saw that setuptools_scm is already being used but not exposed via __version__. Happy to also open a PR to take care of that, but I don't think I can activate the pipeline 😁 Thanks a lot for your help!

Best, Max

eljost commented 3 months ago

Dear Max,

thanks for your interest in the library. This is certainly doable. Can you elaborate your proposal further?

Regarding the PyPI deployment: something like that when a release is done on GH then it should also push a release to PyPI?

What do you mean regarding the versioning?