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OpenMC/Dockerfile

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Docker
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# To build with OpenMC and by default this Dockerfile builds the master branch of OpenMC.
# docker build -t openmc .
# To build with OpenMC develop branch
# docker build -t openmc_develop --build-arg openmc_branch=develop .
# To build with OpenMC and DAGMC enabled
# docker build -t openmc_dagmc --build-arg build_dagmc=on --build-arg compile_cores=4 .
# To build with OpenMC and Libmesh enabled
# docker build -t openmc_libmesh --build-arg build_libmesh=on --build-arg compile_cores=4 .
# To build with both DAGMC and Libmesh enabled
# docker build -t openmc_dagmc_libmesh --build-arg build_dagmc=on --build-arg build_libmesh=on --build-arg compile_cores=4 .
# sudo docker run image_name:tag_name or ID with no tag sudo docker run ID number
# global ARG as these ARGS are used in multiple stages
# By default one core is used to compile
ARG compile_cores=1
# By default this Dockerfile builds OpenMC without DAGMC and LIBMESH support
ARG build_dagmc=off
ARG build_libmesh=off
FROM debian:bullseye-slim AS dependencies
ARG compile_cores
ARG build_dagmc
ARG build_libmesh
# Set default value of HOME to /root
ENV HOME=/root
# Embree variables
ENV EMBREE_TAG='v3.12.2'
ENV EMBREE_REPO='https://github.com/embree/embree'
ENV EMBREE_INSTALL_DIR=$HOME/EMBREE/
# MOAB variables
ENV MOAB_TAG='5.3.0'
ENV MOAB_REPO='https://bitbucket.org/fathomteam/moab/'
# Double-Down variables
ENV DD_TAG='v1.0.0'
ENV DD_REPO='https://github.com/pshriwise/double-down'
ENV DD_INSTALL_DIR=$HOME/Double_down
# DAGMC variables
ENV DAGMC_BRANCH='v3.2.1'
ENV DAGMC_REPO='https://github.com/svalinn/DAGMC'
ENV DAGMC_INSTALL_DIR=$HOME/DAGMC/
# LIBMESH variables
ENV LIBMESH_TAG='v1.7.1'
ENV LIBMESH_REPO='https://github.com/libMesh/libmesh'
ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
# NJOY variables
ENV NJOY_REPO='https://github.com/njoy/NJOY2016'
# Setup environment variables for Docker image
ENV LD_LIBRARY_PATH=${DAGMC_INSTALL_DIR}/lib:$LD_LIBRARY_PATH \
OPENMC_ENDF_DATA=/root/endf-b-vii.1 \
DEBIAN_FRONTEND=noninteractive
# Install and update dependencies from Debian package manager
RUN apt-get update -y && \
apt-get upgrade -y && \
apt-get install -y \
python3-pip python-is-python3 wget git build-essential cmake \
mpich libmpich-dev libhdf5-serial-dev libhdf5-mpich-dev \
libpng-dev && \
apt-get autoremove
# Update system-provided pip
RUN pip install --upgrade pip
# Clone and install NJOY2016
RUN cd $HOME \
&& git clone --single-branch --depth 1 ${NJOY_REPO} \
&& cd NJOY2016 \
&& mkdir build \
&& cd build \
&& cmake -Dstatic=on .. \
&& make 2>/dev/null -j${compile_cores} install \
&& rm -rf $HOME/NJOY2016
RUN if [ "$build_dagmc" = "on" ]; then \
# Install addition packages required for DAGMC
apt-get -y install libeigen3-dev libnetcdf-dev libtbb-dev libglfw3-dev \
&& pip install --upgrade numpy "cython<3.0" \
# Clone and install EMBREE
&& mkdir -p $HOME/EMBREE && cd $HOME/EMBREE \
&& git clone --single-branch -b ${EMBREE_TAG} --depth 1 ${EMBREE_REPO} \
&& mkdir build && cd build \
&& cmake ../embree \
-DCMAKE_INSTALL_PREFIX=${EMBREE_INSTALL_DIR} \
-DEMBREE_MAX_ISA=NONE \
-DEMBREE_ISA_SSE42=ON \
-DEMBREE_ISPC_SUPPORT=OFF \
&& make 2>/dev/null -j${compile_cores} install \
&& rm -rf ${EMBREE_INSTALL_DIR}/build ${EMBREE_INSTALL_DIR}/embree ; \
# Clone and install MOAB
mkdir -p $HOME/MOAB && cd $HOME/MOAB \
&& git clone --single-branch -b ${MOAB_TAG} --depth 1 ${MOAB_REPO} \
&& mkdir build && cd build \
&& cmake ../moab -DENABLE_HDF5=ON \
-DENABLE_NETCDF=ON \
-DBUILD_SHARED_LIBS=OFF \
-DENABLE_FORTRAN=OFF \
-DENABLE_BLASLAPACK=OFF \
&& make 2>/dev/null -j${compile_cores} install \
&& cmake ../moab \
-DENABLE_PYMOAB=ON \
-DBUILD_SHARED_LIBS=ON \
&& make 2>/dev/null -j${compile_cores} install \
&& cd pymoab && bash install.sh \
&& python setup.py install \
&& python -c "import pymoab" \
&& rm -rf $HOME/MOAB ; \
# Clone and install Double-Down
mkdir -p $HOME/Double_down && cd $HOME/Double_down \
&& git clone --single-branch -b ${DD_TAG} --depth 1 ${DD_REPO} \
&& mkdir build && cd build \
&& cmake ../double-down -DCMAKE_INSTALL_PREFIX=${DD_INSTALL_DIR} \
-DMOAB_DIR=/usr/local \
-DEMBREE_DIR=${EMBREE_INSTALL_DIR} \
&& make 2>/dev/null -j${compile_cores} install \
&& rm -rf ${DD_INSTALL_DIR}/build ${DD_INSTALL_DIR}/double-down ; \
# Clone and install DAGMC
mkdir -p $HOME/DAGMC && cd $HOME/DAGMC \
&& git clone --single-branch -b ${DAGMC_BRANCH} --depth 1 ${DAGMC_REPO} \
&& mkdir build && cd build \
&& cmake ../DAGMC -DBUILD_TALLY=ON \
-DCMAKE_INSTALL_PREFIX=${DAGMC_INSTALL_DIR} \
-DMOAB_DIR=/usr/local \
-DDOUBLE_DOWN=ON \
-DDOUBLE_DOWN_DIR=${DD_INSTALL_DIR} \
-DCMAKE_PREFIX_PATH=${DD_INSTALL_DIR}/lib \
-DBUILD_STATIC_LIBS=OFF \
&& make 2>/dev/null -j${compile_cores} install \
&& rm -rf ${DAGMC_INSTALL_DIR}/DAGMC ${DAGMC_INSTALL_DIR}/build ; \
fi
RUN if [ "$build_libmesh" = "on" ]; then \
# Install addition packages required for LIBMESH
apt-get -y install m4 libnetcdf-dev libpnetcdf-dev \
# Install LIBMESH
&& mkdir -p $HOME/LIBMESH && cd $HOME/LIBMESH \
&& git clone --shallow-submodules --recurse-submodules --single-branch -b ${LIBMESH_TAG} --depth 1 ${LIBMESH_REPO} \
&& mkdir build && cd build \
&& ../libmesh/configure \
--prefix=${LIBMESH_INSTALL_DIR} CXX=mpicxx CC=mpicc FC=mpifort F77=mpif77 \
--enable-exodus \
--enable-mpi \
--enable-silent-rules \
--enable-unique-id \
--disable-eigen \
--disable-fortran \
--disable-lapack \
--disable-examples \
--disable-warnings \
--disable-maintainer-mode \
--disable-metaphysicl \
--with-methods="opt" \
--without-gdb-command \
--with-cxx-std-min=2014 \
&& make 2>/dev/null -j${compile_cores} install \
&& rm -rf ${LIBMESH_INSTALL_DIR}/build ${LIBMESH_INSTALL_DIR}/libmesh ; \
fi
FROM dependencies AS build
ENV HOME=/root
ARG openmc_branch=master
ENV OPENMC_REPO='https://github.com/openmc-dev/openmc'
ARG compile_cores
ARG build_dagmc
ARG build_libmesh
ENV DAGMC_INSTALL_DIR=$HOME/DAGMC/
ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
# clone and install openmc
RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
&& git clone --shallow-submodules --recurse-submodules --single-branch -b ${openmc_branch} --depth=1 ${OPENMC_REPO} \
&& mkdir build && cd build ; \
if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "on" ]; then \
cmake ../openmc \
-DCMAKE_CXX_COMPILER=mpicxx \
-DOPENMC_USE_MPI=on \
-DHDF5_PREFER_PARALLEL=on \
-DOPENMC_USE_DAGMC=on \
-DOPENMC_USE_LIBMESH=on \
-DCMAKE_PREFIX_PATH="${DAGMC_INSTALL_DIR};${LIBMESH_INSTALL_DIR}" ; \
fi ; \
if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "off" ]; then \
cmake ../openmc \
-DCMAKE_CXX_COMPILER=mpicxx \
-DOPENMC_USE_MPI=on \
-DHDF5_PREFER_PARALLEL=on \
-DOPENMC_USE_DAGMC=ON \
-DCMAKE_PREFIX_PATH=${DAGMC_INSTALL_DIR} ; \
fi ; \
if [ ${build_dagmc} = "off" ] && [ ${build_libmesh} = "on" ]; then \
cmake ../openmc \
-DCMAKE_CXX_COMPILER=mpicxx \
-DOPENMC_USE_MPI=on \
-DHDF5_PREFER_PARALLEL=on \
-DOPENMC_USE_LIBMESH=on \
-DCMAKE_PREFIX_PATH=${LIBMESH_INSTALL_DIR} ; \
fi ; \
if [ ${build_dagmc} = "off" ] && [ ${build_libmesh} = "off" ]; then \
cmake ../openmc \
-DCMAKE_CXX_COMPILER=mpicxx \
-DOPENMC_USE_MPI=on \
-DHDF5_PREFER_PARALLEL=on ; \
fi ; \
make 2>/dev/null -j${compile_cores} install \
&& cd ../openmc && pip install .[test,depletion-mpi] \
&& python -c "import openmc"
FROM build AS release
ENV HOME=/root
ENV OPENMC_CROSS_SECTIONS=/root/nndc_hdf5/cross_sections.xml
# Download cross sections (NNDC and WMP) and ENDF data needed by test suite
RUN ${HOME}/OpenMC/openmc/tools/ci/download-xs.sh
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