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Update docker files again.
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docker/Dockerfile.matgl

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@@ -2,5 +2,5 @@ FROM ghcr.io/astral-sh/uv:python3.12-bookworm
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ENV DGLBACKEND=pytorch
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RUN uv pip install --system dgl -f https://data.dgl.ai/wheels/torch-2.4/repo.html
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RUN uv pip install --system dgl==2.2.0 torch==2.2.0 torchdata==0.7.1
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RUN uv pip install --system matgl==1.2.6

docker/Dockerfile.matml

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@@ -3,5 +3,5 @@ FROM materialsvirtuallab/lammps_gnnp:latest
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ENV DGLBACKEND=pytorch
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RUN uv pip install --system dgl -f https://data.dgl.ai/wheels/torch-2.4/repo.html
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RUN uv pip install matgl==1.2.6 matcalc==0.3.3 matpes --system
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RUN uv pip install --system dgl==2.2.0 torch==2.2.0 torchdata==0.7.1
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RUN uv pip install --system matgl==1.2.6 matcalc==0.3.3 matpes

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