jupyter pytorch geometric v1 <do not merge>

jupyter_pytorch_geometric/Dockerfile

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+# Copyright (c) Jupyter Development Team.
+# Distributed under the terms of the Modified BSD License.
+ARG OWNER=jupyter
+ARG BASE_CONTAINER=$OWNER/tensorflow-notebook
+FROM $BASE_CONTAINER
+
+LABEL maintainer="Jupyter Project <jupyter@googlegroups.com>"
+
+# Fix DL4006
+# SHELL ["/bin/bash", "-o", "pipefail", "-c"]
+
+USER root
+
+RUN apt update --yes && apt install --yes build-essential
+
+USER ${NB_UID}
+
+# Install Mamba gator
+RUN mamba install --quiet --yes \
+    'conda-forge::mamba_gator' && \
+    mamba clean --all -f -y && \
+    fix-permissions "${CONDA_DIR}" && \
+    fix-permissions "/home/${NB_USER}"
+
+# https://jupyter-docker-stacks.readthedocs.io/en/latest/using/recipes.html#add-a-python-3-x-environment
+ARG conda_env=python37
+ARG py_ver=3.7
+
+# you can add additional libraries you want mamba to install by listing them below the first line and ending with "&& \"
+# RUN mamba create --quiet --yes -p "${CONDA_DIR}/envs/${conda_env}" python=${py_ver} ipython ipykernel && \
+#    cudatoolkit=11.3.1 && \
+#    cudnn=8.2.1 && \
+#    mamba clean --all -f -y
+
+# alternatively, you can comment out the lines above and uncomment those below
+# if you'd prefer to use a YAML file present in the docker build context
+
+COPY --chown=${NB_UID}:${NB_GID} environment.yml "/home/${NB_USER}/tmp/"
+RUN cd "/home/${NB_USER}/tmp/" && \
+    mamba env create -p "${CONDA_DIR}/envs/${conda_env}" -f environment.yml && \
+    mamba clean --all -f -y
+
+
+# create Python 3.x environment and link it to jupyter
+RUN "${CONDA_DIR}/envs/${conda_env}/bin/python" -m ipykernel install --user --name="${conda_env}" && \
+    fix-permissions "${CONDA_DIR}" && \
+    fix-permissions "/home/${NB_USER}"
+
+# any additional pip installs can be added by uncommenting the following line
+# RUN "${CONDA_DIR}/envs/${conda_env}/bin/pip" install tensorflow
+RUN conda install pytorch cudatoolkit=11.3 pyg -c pytorch -c pyg -c conda-forge
+
+# prepend conda environment to path
+ENV PATH "${CONDA_DIR}/envs/${conda_env}/bin:${PATH}"
+
+# if you want this environment to be the default one, uncomment the following line:
+ENV CONDA_DEFAULT_ENV ${conda_env}
+
+USER root

jupyter_pytorch_geometric/environment.yml

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+name: python37
+
+channels:
+  - nvidia
+  - conda-forge
+  - defaults
+  - pytorch
+  - pyg
+
+dependencies:
+  - python=3.7
+  - ipykernel
+  # Install cuda libs + ptxas compiler from nvidia channel
+  # This will accelerate the compilation of kernels for your specific card
+  - cudatoolkit=11.3
+  - cudnn=8
+  - cupti=11.3
+  - cuda-nvcc
+  - pyg
+  - pytorch-lightning
+  - ffmpeg
+  - pip
+  - pip:
+    - tensorflow==2.6.*
+    - matplotlib
+    - pandas
+    - seaborn
+    - scikit-learn