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ronald-jaepelronald-jaepel
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Add Dockerfile
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‎.dockerignore

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### Linux ###
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*~
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# temporary files which can be created if a process still has a handle open of a deleted file
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.fuse_hidden*
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# KDE directory preferences
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.directory
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# Linux trash folder which might appear on any partition or disk
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.Trash-*
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# .nfs files are created when an open file is removed but is still being accessed
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.nfs*
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### macOS ###
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*.DS_Store
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.AppleDouble
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.LSOverride
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# Thumbnails
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._*
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### Windows ###
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# Windows thumbnail cache files
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Thumbs.db
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ehthumbs.db
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ehthumbs_vista.db
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# Folder config file
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Desktop.ini
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# Recycle Bin used on file shares
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$RECYCLE.BIN/
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# Windows shortcuts
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*.lnk
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### Ignore temporary editor files ###
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*.m~
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*.asv
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*._*
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*.*~
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### Ignore binaries ###
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*.mexmaci64
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*.mexa64
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*.mexw64
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*.mexw32
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*.dll
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*.dylib
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*.so
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### Ignore generated documentation and LaTeX aux files ###
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doc/doxy/html
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doc/tex/*.aux
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doc/tex/*.fdb_latexmk
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doc/tex/*.bbl
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doc/tex/*.bcf
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doc/tex/*.run.xml
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doc/tex/*.out
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doc/tex/*.blg
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doc/tex/*.lot
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doc/tex/*.lof
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doc/tex/*.toc
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doc/tex/*.log
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doc/tex/*.idx
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doc/tex/*.ind
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doc/tex/*.gitinfo
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doc/tex/*.synctex.gz
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doc/tex/*.pdf
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doc/tex/docs/*.aux
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### Ignore IDE files ###
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.vs/
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.vscode/
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.idea/
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*.iws
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*.kdev4
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.kdev4/
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compile_commands.json
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# Ignore build and install directories
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build
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build_*
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install
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vcpkg_installed
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# Ignore Dockerfile itself, so changes to the Dockerfile don't re-run the entire workflow
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Dockerfile

‎.github/workflows/cd_docker.yml

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name: build_docker_containers
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on:
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push:
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tags:
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- 'v[0-9]+.[0-9]+.[0-9]+' # Matches v1.2.3
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- 'v[0-9]+.[0-9]+.[0-9]+-*' # Matches v1.2.3-alpha, v1.2.3-beta.1, etc.
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branches:
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- feature/add_docker_build
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workflow_dispatch:
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inputs:
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ref:
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description: 'Commit hash, branch name, or tag to run the CI pipeline for'
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required: false
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default: 'master'
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type: string
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cadet_python_hash:
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description: 'CADET-Python git hash or branch'
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required: false
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default: 'master'
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type: string
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cadet_process_hash:
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description: 'CADET-Process git hash or branch'
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required: false
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default: 'master'
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type: string
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jobs:
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docker:
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runs-on: ubuntu-latest
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steps:
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- name: Get versions for Python and Process
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run: |
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git clone https://github.com/cadet/CADET-Python tmp-python
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git -C tmp-python checkout ${{ github.event.inputs.cadet_python_hash || 'master' }}
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PYTHON_VERSION=$(grep -Po '(?<=__version__ = ")[^"]+' tmp-python/cadet/__init__.py || echo "dev")
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git clone https://github.com/fau-advanced-separations/CADET-Process tmp-process
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git -C tmp-process checkout ${{ github.event.inputs.cadet_process_hash || 'master' }}
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PROCESS_VERSION=$(grep -Po '(?<=__version__ = ")[^"]+' tmp-process/CADETProcess/__init__.py || echo "dev")
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CORE_TAG=${GITHUB_REF##*/} # Strip refs/tags/v1.2.3 → v1.2.3
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echo "PYTHON_VERSION=$PYTHON_VERSION" >> $GITHUB_ENV
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echo "PROCESS_VERSION=$PROCESS_VERSION" >> $GITHUB_ENV
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echo "CORE_TAG=$CORE_TAG" >> $GITHUB_ENV
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- name: Docker meta
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id: meta
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uses: docker/metadata-action@v5
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with:
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# list of Docker images to use as base name for tags
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images: |
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ghcr.io/cadet/CADET-Suite
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# generate Docker tags based on the following events/attributes
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tags: |
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type=raw,value=latest,enable=${{ startsWith(github.ref, 'refs/tags/') && !contains(github.ref, '-') }} # Only set 'latest' if it's a tag AND NOT a pre-release
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type=ref,event=branch
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type=raw,value=Core-${{ env.CORE_TAG }}-Python-${{ env.PYTHON_VERSION }}-Process-${{ env.PROCESS_VERSION }}
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- name: Login to GHCR
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if: github.event_name != 'pull_request'
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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.repository_owner }}
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password: ${{ secrets.GITHUB_TOKEN }}
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- name: Set up QEMU
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uses: docker/setup-qemu-action@v3
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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
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uses: docker/build-push-action@v6
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with:
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push: ${{ github.event_name != 'pull_request' }}
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tags: ${{ steps.meta.outputs.tags }}
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labels: ${{ steps.meta.outputs.labels }}
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build-args: |
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CADET_PYTHON_HASH=${{ github.event.inputs.cadet_python_hash || 'master' }}
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CADET_PROCESS_HASH=${{ github.event.inputs.cadet_process_hash || 'master' }}

‎Dockerfile

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ARG MINIFORGE_VERSION=24.11.3-2
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FROM condaforge/miniforge3:${MINIFORGE_VERSION} AS build
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WORKDIR /cadet
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USER root
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ARG DEBIAN_FRONTEND=noninteractive
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RUN apt-get update && \
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apt-get -y install build-essential cmake libhdf5-dev libsuperlu-dev intel-mkl git git-lfs libeigen3-dev && \
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apt-get clean
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COPY . CADET-Core
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WORKDIR CADET-Core
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RUN mkdir -p build
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WORKDIR build
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SHELL ["/bin/bash", "-c"]
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ENV MKLROOT=/opt/intel/mkl
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RUN cmake -DCMAKE_INSTALL_PREFIX="../install" -DENABLE_STATIC_LINK_DEPS=ON -DENABLE_STATIC_LINK_LAPACK=ON -DBLA_VENDOR=Intel10_64lp_seq ../
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RUN make -j $(lscpu | grep 'CPU(s)' | head -n 1 | cut -d ':' -f2 | tr -d ' ') install
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RUN /cadet/CADET-Core/install/bin/createLWE -o /cadet/CADET-Core/install/bin/LWE.h5
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RUN /cadet/CADET-Core/install/bin/cadet-cli /cadet/CADET-Core/install/bin/LWE.h5
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FROM condaforge/miniforge3:${MINIFORGE_VERSION} AS deploy
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COPY --from=build /cadet/CADET-Core/install /cadet/CADET-Core/install
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COPY --from=build /usr/lib/x86_64-linux-gnu/libsz.so.2 /cadet/CADET-Core/install/lib
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ENV PATH="$PATH:/cadet/CADET-Core/install/bin"
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RUN apt-get update && \
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apt-get -y install libhdf5-dev libsuperlu-dev git git-lfs && \
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apt-get clean
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# Ensure CADET-Core still works
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RUN cadet-cli --version
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# CADET_PYTHON_HASH can be a branch name or a commit hash or vX.X.X
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ARG CADET_PYTHON_HASH=master
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RUN git clone https://github.com/cadet/CADET-Python /cadet/CADET-Python
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WORKDIR /cadet/CADET-Python
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RUN git checkout ${CADET_PYTHON_HASH}
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RUN pip install .
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# CADET_PROCESS_HASH can be a branch name or a commit hash or vX.X.X
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ARG CADET_PROCESS_HASH=master
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RUN git clone https://github.com/fau-advanced-separations/CADET-Process /cadet/CADET-Process
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WORKDIR /cadet/CADET-Process
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RUN git checkout ${CADET_PROCESS_HASH}
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RUN pip install .
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RUN pip install cadet-rdm
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WORKDIR /tmp

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