Hi @FriedGil , thank you for the contribution! This would be a nice change! 🚀

It looks like the CICD is currently failing, unrelated to the changes you made. Could you try change the 0.0.0.dev1 to 0.0.0 in the pyproject.toml?

[tool.setuptools_scm]
fallback_version = "0.0.0"

Yes. The tests passed locally but clearly something is awry. I'll do that and take another look.

Hi @FriedGil , I suspect you'll need to remove some of the upper bounds in the env.yml, same as you did for the pyproject.toml.

I see. Is there a way for me to replicate the workflow locally so that you don't have to approve it each time?

Good question! It's because you're a first-time contributor. I've relaxed the rules for the time being, such that my approval should no longer be needed as long as you're not a new user on Github. I can't disable it altogether.

I've looked into it further and fastpdb does not have have a working conda package for python 3.13 (it only has a python wheel).

A PR was made to change this but failed checks and has not been resolved in almost a year: conda-forge/fastpdb-feedstock#3

@cwognum @FriedGil fastpdb has since added support for Python 3.13 and 3.14 - could this PR be revived?