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fix nglview
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docker/Dockerfile

Lines changed: 2 additions & 9 deletions
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@@ -9,16 +9,9 @@ USER $NB_USER
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WORKDIR $HOME
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# Install workshop deps
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RUN conda install ipykernel ipywidgets nglview mdtraj matplotlib numpy ambertools compilers -y
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RUN conda create -n htmd python=3.10
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SHELL ["conda", "run", "-n", "htmd", "/bin/bash", "-c"]
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RUN conda install -c acellera -c conda-forge htmd -y
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RUN conda install nglview ipywidgets
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RUN echo 'conda activate htmd' >> /home/jovyan/.bashrc
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RUN jupyter labextension enable nglview
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RUN python -m ipykernel install --user --name=htmd
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#RUN conda install -c acellera -c conda-forge ambertools htmd matplotlib mdtraj nglview numpy -y
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RUN conda install -c acellera -c conda-forge ambertools htmd matplotlib mdtraj nglview numpy -y
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# Get workshop files and move them to jovyan directory.
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COPY --chown=1000:100 . .

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