Pymatgen-diffusion release request

Hi all,

I wasn’t sure where to post this, so I hope here is okay!

But can you issue a new release for pymatgen-diffusion? Shyue made some fixes to DistinctPathFinder back in October (see history here), but never made a release for it – thus the dev version (master branch) works perfectly, while my install from conda-forge is broken.


Hi Jack, I just released the 2020.10.8 version with the bug fixes.

1 Like

Hey @ongsp,

Sorry to bug you again, but would you be able to issue another release for both pypi and conda-forge this week?

As a side note, has your team considered merging pymatgen-diffusion into the main pymatgen repo? Now that it’s a namespace package, it could simplify releases+installation. It should be possible to merge it to the repo while maintaining the git history – but I’ve never done anything like that before.


Done. There is a good reason to use namespace packages. Some functionality is used only by a subset of users and have a different release cadence from pymatgen core. In fact, we are moving towards pushing more stuff out of pymatgen core to namespace packages.

Thank you for doing this so quickly!

And makes sense - thought I’d at least ask. I’m looking forward to the changes :smile: