Python Packaging

[lcnittl]

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

[molshape]

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]

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.