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DockerfileOriginal

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+# base notebook, contains Jupyter and relevant tools
+# See https://urldefense.com/v3/__https://github.com/ucsd-ets/datahub-docker-stack/wiki/Stable-Tag__;!!Mih3wA!Gdyp1ukt20BXVegNBzmgDfWhJBT9wJRv0kfA_Go0MCt8kLnGgWIlIwf4enXHKWsp-Mfo5Hrl5w5FGlY-zztWoVxF$ 
+# for a list of the most current containers we maintain
+#
+# datahub-base-notebook:2020.2.9 has Python 3.7.6
+ARG     BASE_CONTAINER=ucsdets/datahub-base-notebook:2020.2.9
+ARG     CONDA_DIR=/opt/conda
+ARG     NB_USER=jovyan
+
+FROM    $BASE_CONTAINER
+
+ENV     NB_GID=100
+ENV     PYTHONDONTWRITEBYTECODE 1
+ENV     PYTHONUNBUFFERED 1
+
+# change to root to install packages
+USER    root
+
+RUN     apt-get -q update && \
+        apt-get -qy install apt-utils && \
+        apt-get -qy dist-upgrade && \
+        apt-get -qy auto-remove && \
+        apt-get install -qy \
+                p7zip-full \
+                software-properties-common && \
+        apt-get clean && \
+        rm -rf /var/lib/apt/lists/*
+
+# CUDA 11
+RUN     wget -nv https://urldefense.com/v3/__https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/cuda-ubuntu2004.pin__;!!Mih3wA!Gdyp1ukt20BXVegNBzmgDfWhJBT9wJRv0kfA_Go0MCt8kLnGgWIlIwf4enXHKWsp-Mfo5Hrl5w5FGlY-z6xyXVXU$  -O /etc/apt/preferences.d/cuda-repository-pin-600 && \
+        apt-key adv --fetch-keys https://urldefense.com/v3/__https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/3bf863cc.pub__;!!Mih3wA!Gdyp1ukt20BXVegNBzmgDfWhJBT9wJRv0kfA_Go0MCt8kLnGgWIlIwf4enXHKWsp-Mfo5Hrl5w5FGlY-zy96UN_p$  && \
+        add-apt-repository "deb https://urldefense.com/v3/__http://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/__;!!Mih3wA!Gdyp1ukt20BXVegNBzmgDfWhJBT9wJRv0kfA_Go0MCt8kLnGgWIlIwf4enXHKWsp-Mfo5Hrl5w5FGlY-z1ptww6x$  /" && \
+        apt-get -q update && \
+        apt-get install -qqy \
+                cuda-11-1 \
+                cuda-nvcc-11-1 \
+                cuda-toolkit-11-1 && \
+        wget -nv https://urldefense.com/v3/__https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/libcudnn8_8.0.5.39-1*cuda11.1_amd64.deb__;Kw!!Mih3wA!Gdyp1ukt20BXVegNBzmgDfWhJBT9wJRv0kfA_Go0MCt8kLnGgWIlIwf4enXHKWsp-Mfo5Hrl5w5FGlY-z23hZqFj$  -O /var/tmp/libcudnn8.deb && \
+        wget -nv https://urldefense.com/v3/__https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/libnccl2_2.8.4-1*cuda11.1_amd64.deb__;Kw!!Mih3wA!Gdyp1ukt20BXVegNBzmgDfWhJBT9wJRv0kfA_Go0MCt8kLnGgWIlIwf4enXHKWsp-Mfo5Hrl5w5FGlY-z9s2UILA$  -O /var/tmp/libnccl2.deb && \
+        dpkg -i /var/tmp/libcudnn8.deb /var/tmp/libnccl2.deb
+
+RUN     fix-permissions $CONDA_DIR && \
+        fix-permissions /home/$NB_USER
+
+# Conda & Pip pkg installs
+USER    jovyan
+
+RUN     /opt/conda/bin/python3 -m pip install --upgrade pip
+
+# Tensorboard & jaxlib
+RUN     /opt/conda/bin/conda install -y \
+                jaxlib==0.1.55 \
+                tensorboard
+
+# RocM 4.0.1 (Linux only)
+RUN     pip install torch \
+                -f https://urldefense.com/v3/__https://download.pytorch.org/whl/rocm4.0.1/torch_stable.html__;!!Mih3wA!Gdyp1ukt20BXVegNBzmgDfWhJBT9wJRv0kfA_Go0MCt8kLnGgWIlIwf4enXHKWsp-Mfo5Hrl5w5FGlY-zzTLvttR$  && \
+        pip install ninja && \
+        pip install 'git+https://github.com/pytorch/[email protected]'
+
+# PyTorch
+RUN     pip install --no-cache-dir \
+                torch==1.8.0+cu111 \
+                torchvision==0.9.0+cu111 \
+                torchaudio==0.8.0 \
+                -f https://urldefense.com/v3/__https://download.pytorch.org/whl/torch_stable.html__;!!Mih3wA!Gdyp1ukt20BXVegNBzmgDfWhJBT9wJRv0kfA_Go0MCt8kLnGgWIlIwf4enXHKWsp-Mfo5Hrl5w5FGlY-zxYAF2xj$ 
+
+# Other pkgs
+RUN     pip install --no-cache-dir \
+                gdown \
+                imageio-ffmpeg==0.4.3 \
+                jax==0.1.73 \
+                opencv-contrib-python-headless \
+                opencv-python \
+                opensimplex \
+                pillow \
+                pyspng==0.1.0 \
+                networkx \
+                scipy
+
+# Unset TORCH_CUDA_ARCH_LIST and exec.  This makes pytorch run-time
+# extension builds significantly faster as we only compile for the
+# currently active GPU configuration.
+#RUN (printf '#!/bin/bash\nunset TORCH_CUDA_ARCH_LIST\nexec \"$@\"\n' >> /entry.sh) && chmod a+x /entry.sh
+#ENTRYPOINT ["/entry.sh"]
+
+USER    root
+
+COPY    ./tests/ /usr/share/datahub/tests/scipy-ml-notebook
+RUN     chmod -R +x /usr/share/datahub/tests/scipy-ml-notebook && \
+        chown -R 1000:100 /home/jovyan && \
+        chmod +x /run_jupyter.sh
+
+USER    $NB_UID:$NB_GID
+ENV     PATH=${PATH}:/usr/local/cuda/bin
+
+# Override command to disable running jupyter notebook at launch
+# CMD ["/bin/bash"]