search

pyiron / atomistics

Interfaces for atomistic simulation codes and workflows
https://atomistics.readthedocs.io/
BSD 3-Clause "New" or "Revised" License
3 stars 3 forks source link

Can we separate `referencedata` to a different package? #324

Open samwaseda opened 1 month ago

samwaseda commented 1 month ago

I would love to use the elastic properties in elaston, but I don’t really need the rest of atomistics there. Can we maybe think about separating it into a different module in pyiron?

jan-janssen commented 1 month ago

Sure, I am open to that idea. Do you have a suggestion for a package name?

samwaseda commented 1 month ago

Maybe it’s a topic to raise for the pyiron meeting because I’m also not really sure how the interface should look, when there are more data sources, some of which might require an API key etc.

This being said, I’m on vacation for 2 weeks so either you guys talk about it or we’ll do it in September when I’m back.

samwaseda commented 1 month ago

For now I simply took it from here. Cf. this PR. But we should definitely think about separating it.

Anyway thanks for implementing this tool. It's super helpful.