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1 parent b7da960 commit e1c9ccaCopy full SHA for e1c9cca
environment.yml
@@ -31,7 +31,7 @@ dependencies:
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- pip:
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- ase==3.22.0
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- attrs==21.4.0
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- - cell2mol==1.0
+ - git+https://github.com/lcmd-epfl/cell2mol.git
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- certifi==2021.10.8
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- contourpy==1.3.1
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- cycler==0.12.1
@@ -51,11 +51,10 @@ dependencies:
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- pyscf==2.2.0
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- pytest==6.2.5
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- python-dateutil==2.9.0.post0
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- - qstack-qml==0.0.1
+ - qstack/qstack-qml
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- scikit-learn==1.5.0
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- scipy==1.10.0
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- six==1.17.0
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- threadpoolctl==3.5.0
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- toml==0.10.2
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- tqdm==4.66.0
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-prefix: /home/ycalvino/miniconda3/envs/qstack-yml-11
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