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Merge pull request ITHACA-FV#619 from ITHACA-FV/Docker
ENH: add Docker dependencies workflow and restructure OF2506 Dockerfiles
2 parents 843ca48 + 4bd4c87 commit f2bc778

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‎.github/workflows/docker-dependencies.yml‎

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name: Build Dependencies Docker Images
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on:
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workflow_dispatch:
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env:
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REGISTRY: docker.io
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IMAGE_NAME: ithacafv/ithacafv-dependencies
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jobs:
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build-amd64-deps:
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runs-on: ubuntu-latest
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outputs:
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digest: ${{ steps.build.outputs.digest }}
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steps:
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- name: Checkout repository
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uses: actions/checkout@v4
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- name: Set up Docker Buildx
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uses: docker/setup-buildx-action@v3
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- name: Log into registry ${{ env.REGISTRY }}
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uses: docker/login-action@v3
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with:
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registry: ${{ env.REGISTRY }}
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username: ${{ secrets.DOCKER_USERNAME }}
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password: ${{ secrets.DOCKER_PASSWORD }}
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- name: Build and push AMD64 dependencies
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id: build
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uses: docker/build-push-action@v5
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with:
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context: ./dockerfiles/OF2506/amd64-deps
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platforms: linux/amd64
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push: true
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tags: ${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}:amd64
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cache-from: type=gha
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cache-to: type=gha,mode=max
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build-arm64-deps:
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runs-on: ubuntu-24.04-arm
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outputs:
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digest: ${{ steps.build.outputs.digest }}
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steps:
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- name: Checkout repository
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uses: actions/checkout@v4
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- name: Set up Docker Buildx
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uses: docker/setup-buildx-action@v3
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- name: Log into registry ${{ env.REGISTRY }}
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uses: docker/login-action@v3
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with:
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registry: ${{ env.REGISTRY }}
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username: ${{ secrets.DOCKER_USERNAME }}
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password: ${{ secrets.DOCKER_PASSWORD }}
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- name: Build and push ARM64 dependencies
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id: build
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uses: docker/build-push-action@v5
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with:
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context: ./dockerfiles/OF2506/arm64-deps
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platforms: linux/arm64
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push: true
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tags: ${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}:arm64
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cache-from: type=gha
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cache-to: type=gha,mode=max

‎dockerfiles/OF2412/Dockerfile‎

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ARG TARGETARCH
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FROM ithacafv/openfoam2412-muq2-pytorch:${TARGETARCH} AS base
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LABEL maintainer="[email protected]"
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LABEL maintainer="[email protected]"
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USER root
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# Source bashrc on container start
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RUN /bin/bash -c "source /etc/bash.bashrc"
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ENTRYPOINT ["/bin/bash"]
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ENTRYPOINT ["/bin/bash"]

‎dockerfiles/OF2506/Dockerfile‎

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# Start from the ubuntu Openfoam 2106 image
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FROM opencfd/openfoam-dev:2506
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# Multi-architecture Dockerfile for ITHACA-FV
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# Automatically selects the correct base image based on target platform
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ARG TARGETARCH
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FROM ithacafv/openfoam2506-muq2-pytorch:${TARGETARCH} AS base
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LABEL maintainer="[email protected]"
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USER root
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# Install additional packages
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RUN apt-get update && \
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apt-get install -y \
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git \
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vim \
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ssh \
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sudo \
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wget \
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software-properties-common && \
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rm -rf /var/lib/apt/lists/*
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# Create ithacafv user and group
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ARG USER=ithacafv
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RUN if id -u 1000 >/dev/null 2>&1; then \
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userdel $(id -nu 1000) || true; \
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fi && \
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if getent group 1000 >/dev/null 2>&1; then \
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groupdel $(getent group 1000 | cut -d: -f1) || true; \
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fi && \
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adduser --disabled-password --gecos '' --uid 1000 $USER && \
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adduser $USER sudo && \
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echo '%sudo ALL=(ALL) NOPASSWD:ALL' >> /etc/sudoers
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# Set environment variables
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ENV HOME=/home/$USER
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ENV USER=$USER
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# Set working directory and clone ITHACA-FV
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WORKDIR /opt
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RUN git clone https://github.com/mathLab/ITHACA-FV.git && \
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chown -R $USER:$USER ITHACA-FV && \
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chown -R $USER:$USER /home/$USER
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# Environment variables for bashrc
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ARG of_var="source /usr/lib/openfoam/openfoam2412/etc/bashrc"
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ARG ithaca_var="source /opt/ITHACA-FV/etc/bashrc"
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# Update bashrc with OpenFOAM and ITHACA-FV sources
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RUN echo $of_var >> /etc/bash.bashrc && \
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echo $ithaca_var >> /etc/bash.bashrc
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# Switch to ithacafv user
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USER $USER
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# Build ITHACA-FV
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RUN /bin/bash -c "source /usr/lib/openfoam/openfoam2412/etc/bashrc && \
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cd ITHACA-FV && \
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git submodule update --init && \
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source etc/bashrc && \
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./Allwmake -au -j 4"
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# Copy binaries and libraries to system paths (as root)
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USER root
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ARG PYTHON_VERSION=3.7
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ENV PATH="/root/miniconda3/bin:${PATH}"
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RUN rm /etc/apt/sources.list.d/openfoam.list && \
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cp /etc/apt/sources.list /etc/apt/sources.list.backup && \
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grep -v -e "openfoam" /etc/apt/sources.list.backup > /etc/apt/sources.list && \
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echo 'debconf debconf/frontend select Noninteractive' | debconf-set-selections && \
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apt-get update && \
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apt-get install -yy -q pwgen npm nodejs cmake git wget bzip2 unzip && \
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apt-get clean && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
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# Anaconda installing
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RUN wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh && \
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bash Miniconda3-latest-Linux-x86_64.sh -b && \
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rm Miniconda3-latest-Linux-x86_64.sh && \
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. /root/miniconda3/etc/profile.d/conda.sh && \
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export PATH=/root/miniconda3/bin:$PATH && \
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wget https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-2.7.1%2Bcpu.zip && \
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unzip libtorch-cxx11-abi-shared-with-deps-2.7.1+cpu.zip && \
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rm libtorch-cxx11-abi-shared-with-deps-2.7.1+cpu.zip && \
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conda tos accept --override-channels --channel https://repo.anaconda.com/pkgs/main && \
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conda tos accept --override-channels --channel https://repo.anaconda.com/pkgs/r && \
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conda install -y -c conda-forge muq cmake pybind11 && \
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conda clean -y --all
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ENV TORCH_LIBRARIES=/libtorch
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ENV MUQ_LIBRARIES=/root/miniconda3
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RUN echo 'source /usr/lib/openfoam/openfoam2506/etc/bashrc' >> ~/.bashrc
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RUN if [ -d "/home/$USER/OpenFOAM/$USER-openfoam2412/platforms/linux64GccDPInt32Opt/bin" ]; then \
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cp -r /home/$USER/OpenFOAM/$USER-openfoam2412/platforms/linux64GccDPInt32Opt/bin/* /usr/local/bin/ || true; \
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cp -r /home/$USER/OpenFOAM/$USER-openfoam2412/platforms/linux64GccDPInt32Opt/lib/* /usr/local/lib/ || true; \
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fi
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# Final setup
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USER $USER
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WORKDIR $HOME
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# Source bashrc on container start
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RUN /bin/bash -c "source /etc/bash.bashrc"
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ENTRYPOINT ["/bin/bash"]

‎dockerfiles/OF2506/Makefile‎

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This file was deleted.

‎dockerfiles/OF2506/amd64-deps/Dockerfile‎

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# Start from the ubuntu Openfoam 2106 image
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FROM opencfd/openfoam-dev:2506
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USER root
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ARG PYTHON_VERSION=3.7
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ENV PATH="/root/miniconda3/bin:${PATH}"
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RUN rm /etc/apt/sources.list.d/openfoam.list && \
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cp /etc/apt/sources.list /etc/apt/sources.list.backup && \
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grep -v -e "openfoam" /etc/apt/sources.list.backup > /etc/apt/sources.list && \
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echo 'debconf debconf/frontend select Noninteractive' | debconf-set-selections && \
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apt-get update && \
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apt-get install -yy -q pwgen npm nodejs cmake git wget bzip2 unzip && \
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apt-get clean && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
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# Anaconda installing
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RUN wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh && \
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bash Miniconda3-latest-Linux-x86_64.sh -b && \
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rm Miniconda3-latest-Linux-x86_64.sh && \
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. /root/miniconda3/etc/profile.d/conda.sh && \
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export PATH=/root/miniconda3/bin:$PATH && \
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wget https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-2.7.1%2Bcpu.zip && \
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unzip libtorch-cxx11-abi-shared-with-deps-2.7.1+cpu.zip && \
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rm libtorch-cxx11-abi-shared-with-deps-2.7.1+cpu.zip && \
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conda tos accept --override-channels --channel https://repo.anaconda.com/pkgs/main && \
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conda tos accept --override-channels --channel https://repo.anaconda.com/pkgs/r && \
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conda install -y -c conda-forge muq cmake pybind11 && \
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conda clean -y --all
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ENV TORCH_LIBRARIES=/libtorch
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ENV MUQ_LIBRARIES=/root/miniconda3
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RUN echo 'source /usr/lib/openfoam/openfoam2412/etc/bashrc' >> ~/.bashrc

‎dockerfiles/OF2506/arm64-deps/Dockerfile‎

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# Start from the ubuntu Openfoam 2106 image
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FROM opencfd/openfoam-dev:2505
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USER root
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ARG PYTHON_VERSION=3.7
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ENV PATH="/root/miniconda3/bin:${PATH}"
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RUN rm /etc/apt/sources.list.d/openfoam.list && \
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cp /etc/apt/sources.list /etc/apt/sources.list.backup && \
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grep -v -e "openfoam" /etc/apt/sources.list.backup > /etc/apt/sources.list && \
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echo 'debconf debconf/frontend select Noninteractive' | debconf-set-selections && \
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apt-get update && \
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apt-get install -yy -q pwgen npm nodejs cmake git wget bzip2 unzip libc6-dev && \
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apt-get clean && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
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# Anaconda installing
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RUN wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-aarch64.sh && \
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bash Miniconda3-latest-Linux-aarch64.sh -b && \
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rm Miniconda3-latest-Linux-aarch64.sh && \
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. /root/miniconda3/etc/profile.d/conda.sh && \
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export PATH=/root/miniconda3/bin:$PATH && \
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wget https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-2.7.1%2Bcpu.zip && \
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unzip libtorch-cxx11-abi-shared-with-deps-2.7.1+cpu.zip && \
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rm libtorch-cxx11-abi-shared-with-deps-2.7.1+cpu.zip && \
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conda tos accept --override-channels --channel https://repo.anaconda.com/pkgs/main && \
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conda tos accept --override-channels --channel https://repo.anaconda.com/pkgs/r && \
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conda install -y -c conda-forge cmake pybind11 eigen hdf5 nlopt && \
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git clone https://bitbucket.org/mituq/muq2.git /tmp/muq2 && \
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cd /tmp/muq2 && rm -rf build && mkdir build && cd build && \
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cmake -DCMAKE_INSTALL_PREFIX=/root/miniconda3 -DMUQ_USE_PYTHON=ON .. && \
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make -j4 && make install && \
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cd / && rm -rf /tmp/muq2 && \
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conda clean -y --all
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ENV TORCH_LIBRARIES=/libtorch
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ENV MUQ_LIBRARIES=/root/miniconda3
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RUN echo 'source /usr/lib/openfoam/openfoam2412/etc/bashrc' >> ~/.bashrc
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