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Update pySurfMod.dockerfile
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reduce layers and rebuild with smaller source image
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svchb authored Oct 13, 2023
1 parent 81f9dbd commit d8f29a0
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3 changes: 1 addition & 2 deletions pySurfMod.dockerfile
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Expand Up @@ -111,8 +111,7 @@ RUN pip3 install tensorflow phonopy==2.14.0
RUN pip3 install pyiron-atomistics==0.2.67 pyiron==0.4.7
RUN pip3 install jupyterlab jupyterhub jupyterlab_widgets
#sphinxdft sqsgenerator #needed?
RUN pip3 install scikit-learn pymatgen keras
RUN pip3 install ipyannotations nglview
RUN pip3 install scikit-learn pymatgen keras ipyannotations nglview
RUN pip3 install torch torchvision torchaudio --extra-index-url https://download.pytorch.org/whl/cpu

#WORKDIR /root/build/
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