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nglview
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erjank committed Jul 6, 2024
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2 changes: 1 addition & 1 deletion containers/icomse/dockerfile_icomse
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Expand Up @@ -5,7 +5,7 @@ ENV CONDA_OVERRIDE_CUDA="12.0"
RUN conda update -n base -c defaults conda && \
conda info && \
conda install libarchive mamba -n base -c conda-forge && \
mamba install -c conda-forge "hoomd=4.7.0=*gpu*" "cuda-version=12.0" vim openssh mbuild gsd ipython ipykernel mdanalysis foyer freud ipywidgets scipy numpy physical_validation matplotlib jupyter pandas flowermd
mamba install -c conda-forge "hoomd=4.7.0=*gpu*" "cuda-version=12.0" vim openssh mbuild gsd ipython ipykernel mdanalysis foyer freud ipywidgets scipy numpy physical_validation matplotlib jupyter pandas flowermd nglview

#RUN conda update -n base -c defaults conda && \
# conda info && \
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