Plans for conda packaging?

[Luthaf]

Hi!

I was wondering if there is any plan for putting torch-sim on conda (and especially conda-forge). I don't need it myself, but I was looking into packaging for metatomic-torchsim, and putting it on conda would require torch-sim to already be on conda.

If there is no such plan I'll only package it to PyPI (and maybe spack) on our side!

[CompRhys]

It's not something we have any plans for we've leaned fairly heavily into uv and pep723 within the repo. What would be the biggest benefits of being on conda-forge?

I can't imagine it's too hard to make a wheel given that nothing in torch-sim needs to be compiled at build.

[Luthaf]

What would be the biggest benefits of being on conda-forge?

Mainly to support integration with other software that is only on conda forge/easier to install through conda. For example someone wanting to run torch-sim and cp2k together for some reason. Some people also prefer managing everything through conda.

I can't imagine it's too hard to make a wheel given that nothing in torch-sim needs to be compiled at build.

Yes, for pure Python package it is very easy, there even is a tool to auto-generate a conda recipe from the PyPI sdist: https://github.com/conda-forge/staged-recipes/#generating-recipes-with-grayskull

Then it is one automated PR created by a bot to merge after each new PyPI release.