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Dockerfile
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FROM nvidia/cuda:11.0.3-cudnn8-devel-ubuntu20.04
# pay attention ARG "cuda_ver" should match base image above
ARG cuda_ver=cu110
# python 3.7.9
ARG miniconda_ver=Miniconda3-py37_4.9.2-Linux-x86_64.sh
ARG project=manager-worker-mtsptwr
ARG username=czhang
ARG password=czhang
ARG torch_ver=1.7.1
ARG torchvision_ver=0.8.2
ARG torchaudio_ver=0.7.2
ARG torch_scatter_ver=2.0.5
ARG torch_sparse_ver=0.6.8
ARG torch_torch_spline_conv_ver=1.2.0
ARG torch_cluster_ver=1.5.8
ARG pyg_ver=1.6.3
ARG matplotlib_ver=3.4.3
ARG ortools_ver=9.0.9048
# Install some basic utilities and create users
RUN apt-get update && apt-get install -y \
curl \
ca-certificates \
sudo \
git \
bzip2 \
libx11-6 \
&& rm -rf /var/lib/apt/lists/* \
# Create a user with home dir /home/${project}
&& useradd -md /home/${project} ${username} \
# user owns the home dir
&& chown -R ${username} /home/${project} \
# set user password
&& echo ${username}:${password} | chpasswd \
# add user to sudoers
&& echo ${username}" ALL=(ALL:ALL) ALL" > /etc/sudoers.d/90-user
# switch to user
USER ${username}
# to home dir
WORKDIR /home/${project}
# download conda installer and save as "~/miniconda.sh"
RUN curl -sLo ~/miniconda.sh https://repo.continuum.io/miniconda/${miniconda_ver} \
# user owns installer
&& chmod +x ~/miniconda.sh \
# install conda with name ~/${project}-miniconda-environment;
# "-p" = path of installed conda env;
# sublime open https://repo.continuum.io/miniconda/Miniconda3-py39_4.10.3-Linux-x86_64.sh to check meaning of -b -p.
&& bash ~/miniconda.sh -b -p ~/${project}-miniconda-environment \
&& rm ~/miniconda.sh
ENV CONDA_AUTO_UPDATE_CONDA=false \
# add conda to env variables
PATH=~/${project}-miniconda-environment/bin:$PATH
RUN ~/${project}-miniconda-environment/bin/pip install \
# install pytorch
torch==${torch_ver} torchvision==${torchvision_ver} torchaudio==${torchaudio_ver} -f https://download.pytorch.org/whl/${cuda_ver}/torch_stable.html \
# install pyg and its dependencies
&& ~/${project}-miniconda-environment/bin/pip install --upgrade pip \
&& ~/${project}-miniconda-environment/bin/pip install torch-scatter==${torch_scatter_ver} -f https://pytorch-geometric.com/whl/torch-${torch_ver}+${cuda_ver}.html \
&& ~/${project}-miniconda-environment/bin/pip install torch-sparse==${torch_sparse_ver} -f https://pytorch-geometric.com/whl/torch-${torch_ver}+${cuda_ver}.html \
&& ~/${project}-miniconda-environment/bin/pip install torch-cluster==${torch_cluster_ver} -f https://pytorch-geometric.com/whl/torch-${torch_ver}+${cuda_ver}.html \
&& ~/${project}-miniconda-environment/bin/pip install torch-spline-conv==${torch_torch_spline_conv_ver} -f https://pytorch-geometric.com/whl/torch-${torch_ver}+${cuda_ver}.html \
&& ~/${project}-miniconda-environment/bin/pip install torch-geometric==${pyg_ver} \
# install matplotlib
&& ~/${project}-miniconda-environment/bin/pip install matplotlib==${matplotlib_ver} \
# install ortools using pip
&& ~/${project}-miniconda-environment/bin/pip install ortools==${ortools_ver}