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update version in Dockerfiles
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@svandenhaute
svandenhaute committed Jan 16, 2024
1 parent 2b03f08 commit 4b8459a
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2 changes: 1 addition & 1 deletion container/Dockerfile_python3.10_cuda
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Expand Up @@ -63,7 +63,7 @@ RUN pip install git+https://github.com/acesuit/MACE.git@55f7411 && \
RUN pip install pyscf

ARG GIT_COMMIT_SHA
RUN pip install 'psiflow[parsl] @ git+https://github.com/molmod/[email protected].2'
RUN pip install 'psiflow[parsl] @ git+https://github.com/molmod/[email protected].3'
RUN pip cache purge

ENV OMPI_MCA_plm_rsh_agent=
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2 changes: 1 addition & 1 deletion container/Dockerfile_python3.9_cuda
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Original file line number Diff line number Diff line change
Expand Up @@ -63,7 +63,7 @@ RUN pip install git+https://github.com/acesuit/MACE.git@55f7411 && \
RUN pip install pyscf

ARG GIT_COMMIT_SHA
RUN pip install 'psiflow[parsl] @ git+https://github.com/molmod/[email protected].2'
RUN pip install 'psiflow[parsl] @ git+https://github.com/molmod/[email protected].3'
RUN pip cache purge

ENV OMPI_MCA_plm_rsh_agent=
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