update Dockerfile with new MACE version

molmod · Jun 12, 2024 · 8867f58 · 8867f58
1 parent 1dca815
commit 8867f58
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/Dockerfile b/Dockerfile
@@ -60,7 +60,7 @@ RUN /bin/bash -c -o pipefail \
      pip install --no-cache-dir wandb plotly plumed && \
      pip install --no-cache-dir git+https://github.com/lab-cosmo/i-pi.git@feat/socket_prefix && \
      pip install --no-cache-dir torch==2.1 --index-url https://download.pytorch.org/whl/${GPU_LIBRARY} && \
-     pip install --no-cache-dir git+https://github.com/acesuit/[email protected].3"
+     pip install --no-cache-dir git+https://github.com/acesuit/[email protected].5"
 ARG DATE
 RUN /bin/bash -c -o pipefail \
      "pip install --no-cache-dir git+https://github.com/molmod/psiflow.git@${PSIFLOW_VERSION}"