lars
4ffb2f78b8
Add 15 new columns to the Steps ntuple: edep, step_length, parent_id, process name, layer_id, material, pre-step momentum direction, and B/E field components (in T and V/m) at the pre-step point. Replace wget Geant4 tarball download in all three Dockerfiles with ADD of the lib/geant4 submodule source; narrow submodule init to lib/pybind11 only so builds no longer require network access for Geant4. Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
137 lines
4.4 KiB
Docker
137 lines
4.4 KiB
Docker
FROM nvidia/cuda:11.8.0-cudnn8-devel-ubuntu22.04
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SHELL ["/bin/sh", "-c"]
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USER root
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ENV DEBIAN_FRONTEND=noninteractive
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RUN /usr/bin/ls
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RUN sed -i "s,# deb http://archive.canonical.com/ubuntu,deb http://archive.canonical.com/ubuntu,g" /etc/apt/sources.list
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## Install some deps
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#RUN ls /etc/apt/
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RUN apt-get update -y
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RUN apt-get install -y software-properties-common
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RUN add-apt-repository ppa:deadsnakes/ppa
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RUN apt-get update -y && apt-get upgrade -y
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RUN apt-get install -y python3 python3-dev python3-venv python3-pip
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#RUN update-alternatives --install /usr/bin/python3 python3 /usr/bin/python3.10 100
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RUN apt-get install -y dpkg-dev cmake g++ gcc binutils libx11-dev libxpm-dev libxft-dev libxext-dev libssl-dev
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#RUN python3 --version && python3 -m ensurepip
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RUN python3 -m pip install --upgrade pip
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RUN python3 -m pip install pandas numpy matplotlib MarkupSafe wandb uproot setuptools awkward-pandas plotly
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RUN python3 -m pip install --no-cache-dir torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu118
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RUN python3 -m pip install torch_geometric
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RUN python3 -m pip install torch-cluster -f https://data.pyg.org/whl/torch-2.1.0+cu118.html
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# # # # GEANT
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RUN apt-get -y install libxmu-dev \
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libgl1-mesa-dev \
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libxerces-c-dev \
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libexpat1 \
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libx11-dev \
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libglu1-mesa-dev \
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freeglut3-dev \
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mesa-common-dev \
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imagemagick \
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gv wget autotools-dev libicu-dev libbz2-dev
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## DAWN FOR VIS
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RUN mkdir dawn-source \
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&& wget -q -O - http://geant4.kek.jp/~tanaka/src/dawn_3_91a.tgz | tar xzf - -C "dawn-source" \
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&& export DAWN_PS_PREVIEWER=NONE && cd dawn-source/dawn_3_91a \
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&& make clean && make guiclean && make && make install \
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&& cd - && rm -rf "dawn-source"
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## main package — build Geant4 from submodule source
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ADD minicalosim/lib/geant4 /tmp/geant4-src
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RUN cmake \
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-S /tmp/geant4-src \
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-B /tmp/geant4-build \
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-DCMAKE_INSTALL_PREFIX=/opt/geant4-v11.1.2 \
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-DCMAKE_RULE_MESSAGES=OFF \
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-DGEANT4_INSTALL_DATA=ON \
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-DGEANT4_USE_GDML=ON \
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-DGEANT4_USE_OPENGL_X11=ON \
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-DGEANT4_BUILD_MULTITHREADED=OFF \
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-DGEANT4_BUILD_TLS_MODEL=global-dynamic \
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-DGEANT4_USE_RAYTRACER_X11=ON \
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>/dev/null && \
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cmake --build /tmp/geant4-build --parallel $(nproc) >/dev/null && \
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cmake --install /tmp/geant4-build >/dev/null && \
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rm -rf /tmp/geant4-src /tmp/geant4-build
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RUN python3 -m pip install geant4-pybind
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ENV LD_LIBRARY_PATH="/opt/geant4-v11.1.2/lib:${LD_LIBRARY_PATH}"
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RUN apt-get install -y git
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RUN python3 -m pip install ipython
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RUN apt-get install -y tk # for dawn
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# add jupyter packages for UC2 on top so they don't need to be installed every time
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RUN python3 -m pip install jupyterlab jupyterhub==4.1.5 batchspawner
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RUN ln -s /usr/bin/python3 /usr/bin/python
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RUN python3 -m pip install torch-scatter -f https://data.pyg.org/whl/torch-2.1.0+cu118.html
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#finally the package; use the commit hash to check out the correct version and only get them here, such that the rest can be cached
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ARG BUILD_DATE
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LABEL org.label-schema.build-date=$BUILD_DATE
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ARG COMMIT
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ARG USER
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# copy minicalosim and checkout the correct commit
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ADD minicalosim /root/minicalosim
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RUN cd /root/minicalosim && git checkout $COMMIT && \
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git submodule update --init lib/pybind11 && \
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mkdir -p build && cd build && rm -rf * && cmake ../ && make -j4
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RUN cp /root/minicalosim/build/minicalo* /root/minicalosim/bind/G4Calo.py /root/minicalosim/bind/minicalo_tools.py /root/minicalosim/bind/minipandas.py /usr/local/lib/python3.10/dist-packages/
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RUN cp /root/minicalosim/bind/G4Calo_exec.py /usr/local/bin/
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RUN cp -r /root/minicalosim/bind /examples
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RUN cp /root/minicalosim/docker/start-notebook.py /usr/local/bin/
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RUN cp /root/minicalosim/docker/start-notebook.sh /usr/local/bin/
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RUN cp /root/minicalosim/docker/start-singleuser.py /usr/local/bin/
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RUN cp /root/minicalosim/docker/start-singleuser.sh /usr/local/bin/
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RUN cp /root/minicalosim/docker/fix-permissions /usr/local/bin/
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RUN cp /root/minicalosim/docker/check_cuda_torch.py /usr/local/bin/
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ARG NB_USER="jovyan"
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ARG NB_UID="1000"
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ARG NB_GID="100"
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USER root
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#RUN groupadd -g ${NB_GID} ${NB_USER} && \
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RUN useradd -m -s /bin/bash -N -u ${NB_UID} -g ${NB_GID} ${NB_USER}
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RUN mkdir /etc/jupyter
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RUN fix-permissions /etc/jupyter/
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# clean up
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RUN rm -rf /root/minicalosim
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RUN pip3 install pyarrow fastparquet
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USER ${NB_UID}
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CMD ["bash"]
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