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Published 3 months ago • verified publisher icon molshape

Python Packaging

Open lcnittl opened this issue 1 year ago • 1 comments

I would like to add proper python packaging declarations (pyproject.toml) to your repository -- are such PRs welcome?

lcnittl avatar Aug 19 '24 09:08 lcnittl

Thank you for your offer to add proper Python packaging declarations to the repository. I agree that this would be a useful addition and plan to include it in future releases. Unfortunately, I don’t have the time to delve into this topic in detail at the moment. However, I would welcome a pull request, as it would not only advance the project but also give me a chance to learn more about it through the process. Thanks again for your support!

molshape avatar Sep 07 '24 09:09 molshape

The PR from @HLinde provided a solution to @lcnittl's suggestion and has been successfully merged into main (16). I’ll go ahead and close this issue as resolved. Thanks for your support, @HLinde!

In the same update, I also updated the atomic weights and published this as Release v1.4.1. With this, both the packaging improvements and atomic weights are now up to date.

molshape avatar Aug 02 '25 12:08 molshape