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1 parent 003c3d9 commit 7069e33Copy full SHA for 7069e33
2 files changed
docker/Dockerfile.matgl
@@ -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
+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
@@ -3,5 +3,5 @@ FROM materialsvirtuallab/lammps_gnnp:latest
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-RUN uv pip install matgl==1.2.6 matcalc==0.3.3 matpes --system
+RUN uv pip install --system matgl==1.2.6 matcalc==0.3.3 matpes
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