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daurerdaurer
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Add CI for publishing container on tagging (#641)
* Add CI for publishing container on tagging * Fixed casing in Dockerfile * Make sure correct version of CUDA installed * Improved Dockerfile * Adding a matrix to container actions
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‎.github/workflows/container.yml‎

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name: Build and Push Container Image
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on:
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push:
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tags:
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- v*
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jobs:
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build-and-push-image:
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runs-on: ubuntu-latest
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permissions:
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contents: read
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packages: write
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strategy:
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matrix:
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platform: [full, cupy]
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mpi: [openmpi, mpich]
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steps:
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- name: Checkout Code
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uses: actions/checkout@v4
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- name: Log in to GitHub Container Registry
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uses: docker/login-action@v3
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with:
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registry: ghcr.io
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username: ${{ github.actor }}
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password: ${{ secrets.GITHUB_TOKEN }}
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- name: Extract Version from Tag
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id: tags
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run: echo version=$(echo "${{ github.ref_name }}" | cut -c 2-) >> $GITHUB_OUTPUT
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- name: Docker Metadata
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id: meta
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uses: docker/metadata-action@v5
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with:
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images: ghcr.io/${{ github.repository }}_${{ matrix.platform }}_${{ matrix.mpi }}
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tags: |
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type=raw,value=v0.9.0
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- name: Set up Docker Buildx
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uses: docker/setup-buildx-action@v3
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- name: Build and Push Image
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uses: docker/build-push-action@v6
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with:
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push: true
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context: .
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tags: ${{ steps.meta.outputs.tags }}
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target: runtime
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build-args: |
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PLATFORM=${{ matrix.platform}}
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MPI=${{ matrix.mpi }}

‎Dockerfile‎

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ARG PLATFORM=cupy
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# Select CUDA version
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ARG CUDAVERSION=12.4
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ARG CUDAVERSION=12.8
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# Pull from mambaforge and install XML and ssh
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FROM condaforge/mambaforge as base
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FROM condaforge/mambaforge AS base
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ENV DEBIAN_FRONTEND=noninteractive
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RUN apt-get update && apt-get install -y libxml2 ssh
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# Pull from base image and install OpenMPI/MPICH
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FROM base as mpi
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FROM base AS mpi
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ARG MPI
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RUN mamba install -n base -c conda-forge ${MPI}
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# Pull from MPI build install core dependencies
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FROM base as core
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COPY ./dependencies_core.yml ./dependencies.yml
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RUN mamba env update -n base -f dependencies.yml
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# Pull from MPI build and install core dependencies
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FROM base AS core
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RUN mamba install -n base -y -c conda-forge \
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python numpy scipy h5py pip
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# Pull from MPI build and install full dependencies
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FROM mpi as full
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COPY ./dependencies_full.yml ./dependencies.yml
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RUN mamba env update -n base -f dependencies.yml
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FROM mpi AS full
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ARG MPI
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RUN mamba install -n base -y -c conda-forge \
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python numpy scipy matplotlib h5py \
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pyzmq mpi4py[build=*${MPI}*] packaging \
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pillow pyfftw pyyaml pip
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# Pull from MPI build and install accelerate/pycuda dependencies
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FROM mpi as pycuda
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ARG CUDAVERSION
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COPY ./ptypy/accelerate/cuda_pycuda/dependencies.yml ./dependencies.yml
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COPY ./cufft/dependencies.yml ./dependencies_cufft.yml
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RUN mamba install cuda-version=${CUDAVERSION} && \
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mamba env update -n base -f dependencies.yml && \
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mamba env update -n base -f dependencies_cufft.yml
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FROM mpi AS pycuda
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ARG CUDAVERSION MPI
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RUN mamba install -n base -y -c conda-forge -c nvidia \
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python numpy scipy matplotlib h5py pyzmq mpi4py[build=*${MPI}*] \
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pillow pyfftw pyyaml compilers pip \
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reikna pycuda cuda-nvcc cuda-cudart-dev cuda-version=${CUDAVERSION}
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# Pull from MPI build and install accelerate/cupy dependencies
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FROM mpi as cupy
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ARG CUDAVERSION
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COPY ./ptypy/accelerate/cuda_cupy/dependencies.yml ./dependencies.yml
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COPY ./cufft/dependencies.yml ./dependencies_cufft.yml
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RUN mamba install cuda-version=${CUDAVERSION} && \
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mamba env update -n base -f dependencies.yml && \
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mamba env update -n base -f dependencies_cufft.yml
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FROM mpi AS cupy
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ARG CUDAVERSION MPI
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RUN mamba install -n base -y -c conda-forge \
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python numpy scipy matplotlib h5py pyzmq mpi4py[build=*${MPI}*] \
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pillow pyfftw pyyaml compilers pip \
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cupy cuda-version=${CUDAVERSION}
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RUN mamba clean -y -a
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# Pull from platform specific image and install ptypy
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FROM ${PLATFORM} as build
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FROM ${PLATFORM} AS build
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COPY pyproject.toml ./
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COPY ./templates ./templates
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COPY ./benchmark ./benchmark
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COPY ./cufft ./cufft
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COPY ./ptypy ./ptypy
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RUN pip install .
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# For core/full build, no post processing needed
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FROM build as core-post
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FROM build as full-post
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# For core build, clean up conda env
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FROM build AS core-post
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RUN mamba clean -y -a
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# For full build, clean up conda env
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FROM build AS full-post
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RUN mamba clean -y -a
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# For pycuda build, install filtered cufft
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FROM build as pycuda-post
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FROM build AS pycuda-post
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ARG CUDAVERSION
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RUN mamba install -n base -y -c conda-forge -c nvidia \
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python cmake>=3.8.0 pybind11 compilers \
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cuda-nvcc cuda-cudart-dev libcufft-dev libcufft-static cuda-version=${CUDAVERSION}
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COPY ./cufft ./cufft
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RUN pip install ./cufft
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RUN mamba remove -n base -y \
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cmake pybind11 cuda-nvcc cuda-cudart-dev libcufft-dev libcufft-static
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RUN mamba clean -y -a
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# For pycuda build, install filtered cufft
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FROM build as cupy-post
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# For cupy build, install filtered cufft
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FROM build AS cupy-post
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ARG CUDAVERSION
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RUN mamba install -n base -y -c conda-forge -c nvidia \
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python cmake>=3.8.0 pybind11 compilers \
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cuda-nvcc cuda-cudart-dev libcufft-dev libcufft-static cuda-version=${CUDAVERSION}
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COPY ./cufft ./cufft
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RUN pip install ./cufft
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RUN mamba remove -n base -y \
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cmake pybind11 libcufft-dev libcufft-static
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RUN mamba clean -y -a
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# Platform specific runtime container
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FROM ${PLATFORM}-post as runtime
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FROM ${PLATFORM}-post AS runtime
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RUN useradd --user-group ptypy-user
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USER ptypy-user
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# Run PtyPy run script as entrypoint
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ENTRYPOINT ["ptypy.cli"]

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