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@erjank
erjank committed Jul 3, 2024
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6 changes: 3 additions & 3 deletions containers/icomse/dockerfile_icomseb
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FROM glotzerlab/software

# configure unprivileged user
RUN useradd --create-home --shell /bin/sh icomse-software
USER icomse-software:icomse-software
RUN mamba install -c conda-forge vim openssh mbuild gsd ipython ipykernel mdanalysis foyer ipywidgets scipy numpy physical_validation matplotlib jupyter pandas pycifrw ase nglview


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