Anthony Scemama
Anthony Scemama
@carterbox @wolfv Ping!
@conda-forge-admin, please ping team
Hi! I am also a developer of TREXIO, and of the quantum package software. In quantum package, we have the ability to import/export data from TREXIO files, and we use...
Hi! thank you, this is an interesting point and I am sure other code developers will raise the same issue. One of the main goals of TREXIO is to make...
OK, I understand. In that case, maybe writing your own wrapper around HDF5 for temporary files would be a better option, because you would be able to pass strings to...
What you say seems exact. Just to be sure: when you are in "developer mode" (you get the library from the GitHub repo, not the tar.gz), when you run `make`...
If you need any help, feel free to ask :-)
@q-posev Good idea! I created an issue on TREXIO where we can exchange about that: https://github.com/TREX-CoE/trexio/issues/112
Hi @JonathonMisiewicz, Have you heard about the ESCDF library? It might be better adapted to what you want to do. It is also based on HDF5, but it is more...
And make a setup.py for pip => QP2 ! :pig: