diff --git a/environment.yml b/environment.yml index 63e2f1b..d50ffe4 100644 --- a/environment.yml +++ b/environment.yml @@ -31,7 +31,7 @@ dependencies: - pip: - ase==3.22.0 - attrs==21.4.0 - - cell2mol==1.0 + - git+https://github.com/lcmd-epfl/cell2mol.git - certifi==2021.10.8 - contourpy==1.3.1 - cycler==0.12.1 @@ -51,11 +51,10 @@ dependencies: - pyscf==2.2.0 - pytest==6.2.5 - python-dateutil==2.9.0.post0 - - qstack-qml==0.0.1 + - qstack/qstack-qml - scikit-learn==1.5.0 - scipy==1.10.0 - six==1.17.0 - threadpoolctl==3.5.0 - toml==0.10.2 - tqdm==4.66.0 -prefix: /home/ycalvino/miniconda3/envs/qstack-yml-11