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updated Dockerfile based on NGC PyG 24.09 image #9794

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updated Dockerfile based on NGC PyG 24.09 image #9794

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updated Dockerfile based on NGC PyG 24.09 image
sbhavani Nov 16, 2024
129e75d
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Nov 16, 2024
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169 changes: 13 additions & 156 deletions docker/Dockerfile
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FROM ubuntu:18.04
FROM nvcr.io/nvidia/cuda-dl-base:24.09-cuda12.6-devel-ubuntu22.04

# metainformation
LABEL org.opencontainers.image.version = "2.3.1"
LABEL org.opencontainers.image.authors = "Matthias Fey"
LABEL org.opencontainers.image.source = "https://github.com/pyg-team/pytorch_geometric"
LABEL org.opencontainers.image.licenses = "MIT"
LABEL org.opencontainers.image.base.name="docker.io/library/ubuntu:18.04"
# Based on NGC PyG 24.09 image:
# https://docs.nvidia.com/deeplearning/frameworks/pyg-release-notes/rel-24-09.html#rel-24-09

RUN apt-get update && apt-get install -y apt-transport-https ca-certificates && \
rm -rf /var/lib/apt/lists/*
# install pip
RUN apt-get update && apt-get install -y python3-pip

RUN apt-get update && apt-get install -y --no-install-recommends apt-utils gnupg2 curl && \
curl -fsSL https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/7fa2af80.pub | apt-key add - && \
echo "deb https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64 /" > /etc/apt/sources.list.d/cuda.list && \
echo "deb https://developer.download.nvidia.com/compute/machine-learning/repos/ubuntu1804/x86_64 /" > /etc/apt/sources.list.d/nvidia-ml.list &&\
apt-get purge --autoremove -y curl && \
rm -rf /var/lib/apt/lists/*
# install PyTorch - latest stable version
RUN pip install torch torchvision torchaudio

ENV CUDA_VERSION 10.1.243
ENV NCCL_VERSION 2.4.8
ENV CUDA_PKG_VERSION 10-1=$CUDA_VERSION-1
ENV CUDNN_VERSION 7.6.5.32
# install graphviz - latest stable version
RUN apt-get install -y graphviz graphviz-dev
RUN pip install pygraphviz

RUN apt-get update && apt-get install -y --no-install-recommends \
cuda-cudart-$CUDA_PKG_VERSION \
cuda-compat-10-1 && \
ln -s cuda-10.1 /usr/local/cuda && \
rm -rf /var/lib/apt/lists/*
# install python packages with NGC PyG 24.09 image versions
RUN pip install torch_geometric==2.6.0
RUN pip install requests==2.32.3 opencv-python==4.7.0.72 scipy==1.14.0 jupyterlab==4.2.5

RUN apt-get update && apt-get install -y --allow-unauthenticated --no-install-recommends \
cuda-libraries-$CUDA_PKG_VERSION \
cuda-nvtx-$CUDA_PKG_VERSION \
libcublas10=10.2.1.243-1 \
libnccl2=$NCCL_VERSION-1+cuda10.1 && \
apt-mark hold libnccl2 && \
rm -rf /var/lib/apt/lists/*

RUN apt-get update && apt-get install -y --allow-unauthenticated --no-install-recommends \
cuda-libraries-dev-$CUDA_PKG_VERSION \
cuda-nvml-dev-$CUDA_PKG_VERSION \
cuda-minimal-build-$CUDA_PKG_VERSION \
cuda-command-line-tools-$CUDA_PKG_VERSION \
libnccl-dev=$NCCL_VERSION-1+cuda10.1 \
libcublas-dev=10.2.1.243-1 \
&& \
rm -rf /var/lib/apt/lists/*

RUN apt-get update && apt-get install -y --no-install-recommends \
libcudnn7=$CUDNN_VERSION-1+cuda10.1 \
libcudnn7-dev=$CUDNN_VERSION-1+cuda10.1 \
&& \
apt-mark hold libcudnn7 && \
rm -rf /var/lib/apt/lists/*


ENV LIBRARY_PATH /usr/local/cuda/lib64/stubs

# NVIDIA docker 1.0.
LABEL com.nvidia.volumes.needed="nvidia_driver"
LABEL com.nvidia.cuda.version="${CUDA_VERSION}"

RUN echo "/usr/local/nvidia/lib" >> /etc/ld.so.conf.d/nvidia.conf && \
echo "/usr/local/nvidia/lib64" >> /etc/ld.so.conf.d/nvidia.conf

ENV PATH /usr/local/nvidia/bin:/usr/local/cuda/bin:${PATH}
ENV LD_LIBRARY_PATH /usr/local/nvidia/lib:/usr/local/nvidia/lib64

# NVIDIA container runtime.
ENV NVIDIA_VISIBLE_DEVICES all
ENV NVIDIA_DRIVER_CAPABILITIES compute,utility
ENV NVIDIA_REQUIRE_CUDA "cuda>=10.0 brand=tesla,driver>=384,driver<385 brand=tesla,driver>=410,driver<411"

# PyTorch (Geometric) installation
RUN rm /etc/apt/sources.list.d/cuda.list && \
rm /etc/apt/sources.list.d/nvidia-ml.list

RUN apt-get update && apt-get install -y \
curl \
ca-certificates \
vim \
sudo \
git \
bzip2 \
libx11-6 \
&& rm -rf /var/lib/apt/lists/*

# Create a working directory.
RUN mkdir /app
WORKDIR /app

# Create a non-root user and switch to it.
RUN adduser --disabled-password --gecos '' --shell /bin/bash user \
&& chown -R user:user /app
RUN echo "user ALL=(ALL) NOPASSWD:ALL" > /etc/sudoers.d/90-user
USER user

# All users can use /home/user as their home directory.
ENV HOME=/home/user
RUN chmod 777 /home/user

# Install Miniconda.
RUN curl -so ~/miniconda.sh https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh \
&& chmod +x ~/miniconda.sh \
&& ~/miniconda.sh -b -p ~/miniconda \
&& rm ~/miniconda.sh
ENV PATH=/home/user/miniconda/bin:$PATH
ENV CONDA_AUTO_UPDATE_CONDA=false

# Create a Python 3.6 environment.
RUN /home/user/miniconda/bin/conda install conda-build \
&& /home/user/miniconda/bin/conda create -y --name py36 python=3.6.5 \
&& /home/user/miniconda/bin/conda clean -ya
ENV CONDA_DEFAULT_ENV=py36
ENV CONDA_PREFIX=/home/user/miniconda/envs/$CONDA_DEFAULT_ENV
ENV PATH=$CONDA_PREFIX/bin:$PATH

# CUDA 10.0-specific steps.
RUN conda install -y -c pytorch \
cudatoolkit=10.1 \
"pytorch=1.4.0=py3.6_cuda10.1.243_cudnn7.6.3_0" \
torchvision=0.5.0=py36_cu101 \
&& conda clean -ya

# Install HDF5 Python bindings.
RUN conda install -y h5py=2.8.0 \
&& conda clean -ya
RUN pip install h5py-cache==1.0

# Install TorchNet, a high-level framework for PyTorch.
RUN pip install torchnet==0.0.4

# Install Requests, a Python library for making HTTP requests.
RUN conda install -y requests=2.19.1 \
&& conda clean -ya

# Install Graphviz.
RUN conda install -y graphviz=2.40.1 python-graphviz=0.8.4 \
&& conda clean -ya

# Install OpenCV3 Python bindings.
RUN sudo apt-get update && sudo apt-get install -y --no-install-recommends \
libgtk2.0-0 \
libcanberra-gtk-module \
&& sudo rm -rf /var/lib/apt/lists/*
RUN conda install -y -c menpo opencv3=3.1.0 \
&& conda clean -ya

# Install PyG.
RUN CPATH=/usr/local/cuda/include:$CPATH \
&& LD_LIBRARY_PATH=/usr/local/cuda/lib64:$LD_LIBRARY_PATH \
&& DYLD_LIBRARY_PATH=/usr/local/cuda/lib:$DYLD_LIBRARY_PATH

RUN pip install scipy

RUN pip install --no-index torch_scatter -f https://data.pyg.org/whl/torch-1.4.0+cu101.html \
&& pip install --no-index torch_sparse -f https://data.pyg.org/whl/torch-1.4.0+cu101.html \
&& pip install --no-index torch_cluster -f https://data.pyg.org/whl/torch-1.4.0+cu101.html \
&& pip install --no-index torch_spline_conv -f https://data.pyg.org/whl/torch-1.4.0+cu101.html \
&& pip install torch-geometric

# Set the default command to python3.
CMD ["python3"]
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