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.
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.