Pol Febrer Calabozo

I had in mind the typical ones: materials project, pdb... But my point is that I don't have much knowledge about them and some may be trendy now but not...

Hmm ok, but how would you do it? Would you first convert to sisl objects and then store? Or implement a storage (if there is none implemented) for each database...

I think the lag of fetching a structure might not be relevant in most cases, the convenience of having a molecule's coordinates will by far outweight it. And if anything,...

> On the other hand, this seems very similar to pymatgen, and perhaps sisl should not move onto this boundary, but rather do something a little different? Yeah, it is...

Yes, I also thought about `openbabel`. But it is just yet another tool that does lots of things and they have their own input/output implementations. Plus their support for python...

Nice! Well, to me the hardest part is to convince the maintainers of python packages that already have an input/output framework to move to a common solution. Regarding the DFT...

Hmm, you are right about releases. But that could be solved simply by packaging the io library with your release, right? :thinking:

Then you can do it whenever you want.

Releasing frequently (say every week or two) and reliably (always on schedule) could also be a solution for this.

I guess each code could have a representative as a maintainer, then they can push to their modules whenever they want (unless it is some drastic change). Or that would...