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revert version downgrade of pymatgen
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engmubarak48 committed Sep 25, 2024
1 parent 2f713d2 commit cbc028e
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3 changes: 1 addition & 2 deletions prereq_ci.sh
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Expand Up @@ -4,5 +4,4 @@ python -m pip install --ignore-installed six appdirs
python -m pip install torch==2.0.1
python -m pip install dgl==1.1.3+cu118
python -m pip install dglgo==0.0.2
python -m pip install pyg_lib==0.3.1 torch_scatter==2.1.2 torch_sparse==0.6.18 torch_geometric==2.4.0 torch_cluster==1.6.3 torch_spline_conv==1.2.2 -f https://data.pyg.org/whl/torch-2.0.0+cpu.html
python -m pip install pymatgen==2024.5.1 spglib==2.4.0
python -m pip install pyg_lib==0.3.1 torch_scatter==2.1.2 torch_sparse==0.6.18 torch_geometric==2.4.0 torch_cluster==1.6.3 torch_spline_conv==1.2.2 -f https://data.pyg.org/whl/torch-2.0.0+cpu.html

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