-
Notifications
You must be signed in to change notification settings - Fork 44
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Add nix and conda packages #320
Comments
I checked the status of the packages on this list which are not developed at nist: Nixpkgs already has quantum-espresso and gpaw. The NixOS-QChem overlay has qmcpack. kgcnn is in pypi, so maybe we could get away with using poetry2nix, but that should be tested. elemnet only has a requirements.txt so probably needs to be packaged. |
While I'm at it I hacked together this one-liner:
Above I've done the following:
|
Add nix packages here
Most of these packages have conda
and others.
For complete list
grep "software_used" jarvis_leaderboard/contributions/*/metadata.json
The text was updated successfully, but these errors were encountered: