-
Notifications
You must be signed in to change notification settings - Fork 3.7k
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Merge branch 'master' into exphormer
- Loading branch information
Showing
83 changed files
with
7,533 additions
and
407 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,163 +1,21 @@ | ||
| 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 triton==3.0.0 numba==0.59.0 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"] | ||
| # install cugraph | ||
| RUN pip install cugraph-cu12 cugraph-pyg-cu12 --extra-index-url=https://pypi.nvidia.com |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Oops, something went wrong.