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debug III
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junghans committed Jan 16, 2025
1 parent 41ea599 commit ce082bc
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Expand Up @@ -51,6 +51,8 @@ WORKDIR /home/votca
ENV OMPI_MCA_btl=vader,self
ENV OMPI_MCA_mtl=^ofi

RUN sudo echo Hello

# build certain gromacs version as user
RUN if [ -n "${GMX_BRANCH}" ] && [ "${GMX_BRANCH}" != "none" ]; then \
git clone --depth 1 -b "${GMX_BRANCH}" https://gitlab.com/gromacs/gromacs.git && \
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