mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-27 13:45:36 -04:00
Merge pull request #1 from AI-Pranto-1/adding_libmesh_to_docker
Docker with LIBMESH support
This commit is contained in:
Jonathan Shimwell
GitHub
commit
3039f9c969
3 changed files with 228 additions and 139 deletions
36
.github/workflows/dockerhub-publish-develop-libmesh.yml
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36
.github/workflows/dockerhub-publish-develop-libmesh.yml
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name: dockerhub-publish-develop-libmesh
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on:
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push:
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branches: develop
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jobs:
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main:
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runs-on: ubuntu-latest
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steps:
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-
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name: Set up QEMU
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uses: docker/setup-qemu-action@v1
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-
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name: Set up Docker Buildx
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uses: docker/setup-buildx-action@v1
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-
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name: Login to DockerHub
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uses: docker/login-action@v1
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with:
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username: ${{ secrets.DOCKERHUB_USERNAME }}
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password: ${{ secrets.DOCKERHUB_TOKEN }}
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-
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name: Build and push
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id: docker_build
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uses: docker/build-push-action@v2
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with:
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push: true
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tags: openmc/openmc:develop-dagmc
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build-args: |
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include_libmesh=true
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compile_cores=2
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openmc_branch=develop
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-
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name: Image digest
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run: echo ${{ steps.docker_build.outputs.digest }}
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35
.github/workflows/dockerhub-publish-libmesh.yml
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35
.github/workflows/dockerhub-publish-libmesh.yml
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@ -0,0 +1,35 @@
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name: dockerhub-publish-latest-libmesh
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on:
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push:
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branches: master
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jobs:
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main:
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runs-on: ubuntu-latest
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steps:
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-
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name: Set up QEMU
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uses: docker/setup-qemu-action@v1
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-
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name: Set up Docker Buildx
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uses: docker/setup-buildx-action@v1
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-
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name: Login to DockerHub
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uses: docker/login-action@v1
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with:
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username: ${{ secrets.DOCKERHUB_USERNAME }}
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password: ${{ secrets.DOCKERHUB_TOKEN }}
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-
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name: Build and push
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id: docker_build
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uses: docker/build-push-action@v2
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with:
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push: true
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tags: openmc/openmc:latest-libmesh
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build-args: |
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include_libmesh=true
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compile_cores=2
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-
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name: Image digest
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run: echo ${{ steps.docker_build.outputs.digest }}
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296
Dockerfile
296
Dockerfile
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@ -1,168 +1,186 @@
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# To build with OpenMC
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# To build with OpenMC and by default this Dockerfile builds the master branch of OpenMC.
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# docker build -t openmc .
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# To build with the develop branch of OpenMC
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# docker build -t openmc --build-arg openmc_branch=develop.
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# To build with OpenMC develop branch
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# docker build -t openmc_develop --build-arg OPENMC_BRANCH=develop .
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# To build with OpenMC and DAGMC enabled
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# docker build -t openmc_dagmc --build-arg include_dagmc=true .
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# docker build -t openmc_dagmc --build-arg include_dagmc=true --build-arg compile_cores=4 .
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# To make use of multiple cores during the compile stages of the docker build
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# docker build -t openmc_dagmc --build-arg compile_cores=8 .
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# To build with OpenMC and Libmesh support
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# docker build -t openmc_libmesh --build-arg include_libmesh=true --build-arg compile_cores=4 .
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# sudo docker run image_name:tag_name or ID with no tag sudo docker run ID number
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FROM ubuntu:latest
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# By default this Dockerfile builds the main branch of OpenMC
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ARG openmc_branch=main
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# By default this Dockerfile builds OpenMC without dagmc
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# By default this Dockerfile builds OpenMC without DAGMC and LIBMESH support
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ARG include_dagmc=false
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ARG include_libmesh=false
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# By default one core is used to compile
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ARG compile_cores=1
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ARG compile_cores=2
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# OpenMC variables
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ARG OPENMC_BRANCH=master
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ENV OPENMC_REPO='https://github.com/openmc-dev/openmc'
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# Embree variables
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ENV EMBREE_TAG='v3.12.2'
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ENV EMBREE_REPO='https://github.com/embree/embree'
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ENV EMBREE_INSTALL_DIR=$HOME/EMBREE/
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# MOAB variables
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ENV MOAB_BRANCH='master'
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ENV MOAB_REPO='https://bitbucket.org/fathomteam/moab/'
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# Double-Down variables
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ENV DD_BRANCH='main'
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ENV DD_REPO=' https://github.com/pshriwise/double-down'
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ENV DD_INSTALL_DIR=$HOME/Double_down
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# DAGMC variables
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ENV DAGMC_TAG='3.2.0'
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ENV DAGMC_REPO='https://github.com/svalinn/DAGMC'
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ENV DAGMC_INSTALL_DIR=$HOME/DAGMC/
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# LIBMESH variables
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ENV LIBMESH_TAG='v1.6.0'
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ENV LIBMESH_REPO='https://github.com/libMesh/libmesh'
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ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
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# Setup environment variables for Docker image
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ENV CC=/usr/bin/mpicc CXX=/usr/bin/mpicxx \
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PATH=/opt/openmc/bin:/opt/NJOY2016/build:$PATH \
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LD_LIBRARY_PATH=/opt/openmc/lib:$LD_LIBRARY_PATH \
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LD_LIBRARY_PATH=${DAGMC_INSTALL_DIR}/lib:$LD_LIBRARY_PATH \
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OPENMC_CROSS_SECTIONS=/root/nndc_hdf5/cross_sections.xml \
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OPENMC_ENDF_DATA=/root/endf-b-vii.1 \
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DEBIAN_FRONTEND=noninteractive
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# Install dependencies from Debian package manager
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# Install and update dependencies from Debian package manager
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RUN apt-get update -y && \
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apt-get upgrade -y && \
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apt-get install -y \
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python3-pip python-is-python3 wget git gfortran g++ cmake \
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python3-pip python-is-python3 wget git build-essential cmake \
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mpich libmpich-dev libhdf5-serial-dev libhdf5-mpich-dev \
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imagemagick m4 && \
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apt-get autoremove
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imagemagick && \
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apt-get autoremove -y
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# Update system-provided pip
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RUN pip3 install --upgrade pip
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RUN pip install --upgrade pip
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# Clone and install NJOY2016
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RUN git clone https://github.com/njoy/NJOY2016.git /opt/NJOY2016 && \
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cd /opt/NJOY2016 && \
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mkdir build && cd build && \
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cmake -Dstatic=on .. && make 2>/dev/null && make install
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RUN cd $HOME && git clone --depth 1 https://github.com/njoy/NJOY2016.git && \
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cd NJOY2016 && mkdir build && cd build && \
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cmake -Dstatic=on .. && make 2>/dev/null -j${compile_cores} install ; \
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rm -rf $HOME/NJOY2016
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# Clone and install libmesh
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RUN mkdir libmesh ; \
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cd libmesh ; \
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git clone --single-branch --shallow-submodules --recurse-submodules --branch v1.6.0 --depth 1 https://github.com/libMesh/libmesh.git ; \
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mkdir build ; \
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cd build ; \
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../libmesh/configure --prefix=/opt/libmesh --enable-exodus --disable-netcdf-4 --disable-eigen --disable-lapack --disable-mpi ; \
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make -j"$compile_cores" ; \
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make -j"$compile_cores" install
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# Clone and install OpenMC without DAGMC
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RUN if [ "$include_dagmc" = "false" ] ; \
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then git clone --shallow-submodules --recurse-submodules --branch "$openmc_branch" --depth=1 https://github.com/openmc-dev/openmc.git /opt/openmc ; \
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cd /opt/openmc ; \
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mkdir -p build ; \
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cd build ; \
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cmake -Doptimize=on \
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-DHDF5_PREFER_PARALLEL=on .. \
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-DCMAKE_PREFIX_PATH=/opt/libmesh/ ; \
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make -j"$compile_cores" ; \
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make -j"$compile_cores" install ; \
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cd .. ; \
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pip install -e .[test] ; \
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fi
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# install addition packages required for DAGMC
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RUN if [ "$include_dagmc" = "true" ] ; \
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then apt-get --yes install libeigen3-dev ; \
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apt-get --yes install libnetcdf-dev ; \
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apt-get --yes install libtbb-dev ; \
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apt-get --yes install libglfw3-dev ; \
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fi
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# Clone and install Embree
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RUN if [ "$include_dagmc" = "true" ] ; \
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then git clone --single-branch --branch v3.12.2 --depth 1 https://github.com/embree/embree.git ; \
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cd embree ; \
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mkdir build ; \
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cd build ; \
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cmake .. -DCMAKE_INSTALL_PREFIX=.. \
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-DEMBREE_ISPC_SUPPORT=OFF ; \
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make -j"$compile_cores" ; \
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make -j"$compile_cores" install ; \
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fi
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# Clone and install MOAB
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RUN if [ "$include_dagmc" = "true" ] ; \
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then pip install --upgrade numpy cython ; \
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mkdir MOAB ; \
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cd MOAB ; \
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mkdir build ; \
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git clone --single-branch --branch 5.2.1 --depth 1 https://bitbucket.org/fathomteam/moab.git ; \
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cd build ; \
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cmake ../moab -DENABLE_HDF5=ON \
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-DENABLE_NETCDF=ON \
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-DBUILD_SHARED_LIBS=OFF \
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-DENABLE_FORTRAN=OFF \
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-DENABLE_BLASLAPACK=OFF ; \
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make -j"$compile_cores" ; \
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make -j"$compile_cores" install ; \
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rm -rf * ; \
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cmake ../moab -DBUILD_SHARED_LIBS=ON \
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-DENABLE_HDF5=ON \
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-DENABLE_PYMOAB=ON \
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-DENABLE_FORTRAN=OFF \
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-DENABLE_BLASLAPACK=OFF ; \
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make -j"$compile_cores" ; \
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make -j"$compile_cores" install ; \
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fi
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# Clone and install Double-Down
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RUN if [ "$include_dagmc" = "true" ] ; \
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then git clone --single-branch --branch main --depth 1 https://github.com/pshriwise/double-down.git ; \
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cd double-down ; \
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mkdir build ; \
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cd build ; \
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cmake .. -DCMAKE_INSTALL_PREFIX=.. \
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-DMOAB_DIR=/usr/local \
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-DEMBREE_DIR=/embree ; \
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make -j"$compile_cores" ; \
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make -j"$compile_cores" install ; \
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fi
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# Clone and install DAGMC
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RUN if [ "$include_dagmc" = "true" ] ; \
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then mkdir DAGMC ; \
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cd DAGMC ; \
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git clone --single-branch --branch 3.2.0 --depth 1 https://github.com/svalinn/DAGMC.git ; \
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mkdir build ; \
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cd build ; \
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cmake ../DAGMC -DBUILD_TALLY=ON \
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-DCMAKE_INSTALL_PREFIX=/DAGMC/ \
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-DMOAB_DIR=/usr/local \
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-DBUILD_STATIC_LIBS=OFF \
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-DBUILD_STATIC_EXE=OFF ; \
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make -j"$compile_cores" install ; \
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rm -rf /DAGMC/DAGMC /DAGMC/build ; \
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fi
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# Clone and install OpenMC with DAGMC
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RUN if [ "$include_dagmc" = "true" ] ; \
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then git clone --shallow-submodules --recurse-submodules --branch "$openmc_branch" --depth=1 https://github.com/openmc-dev/openmc.git /opt/openmc ; \
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cd /opt/openmc ; \
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mkdir build ; \
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cd build ; \
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cmake -Doptimize=on \
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-Ddagmc=ON \
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-Dlibmesh=ON \
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-DCMAKE_PREFIX_PATH=/opt/libmesh/ \
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-DDAGMC_DIR=/DAGMC/ \
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-DHDF5_PREFER_PARALLEL=on .. ; \
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make -j"$compile_cores" ; \
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make -j"$compile_cores" install ; \
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cd .. ; \
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pip install -e .[test] ; \
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fi
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RUN if [ "$include_dagmc" = "true" ]; then \
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# Install addition packages required for DAGMC
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apt-get -y install libeigen3-dev libnetcdf-dev libtbb-dev libglfw3-dev ; \
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pip install --upgrade numpy cython ; \
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# Clone and install EMBREE
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mkdir -p $HOME/EMBREE && cd $HOME/EMBREE; \
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git clone --single-branch -b ${EMBREE_TAG} --depth 1 ${EMBREE_REPO} ; \
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mkdir build && cd build; \
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cmake ../embree \
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-DCMAKE_INSTALL_PREFIX=${EMBREE_INSTALL_DIR} \
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-DEMBREE_ISPC_SUPPORT=OFF ; \
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make 2>/dev/null -j${compile_cores} install ; \
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rm -rf ${EMBREE_INSTALL_DIR}/build ${EMBREE_INSTALL_DIR}/embree ; \
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# Clone and install MOAB
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mkdir -p $HOME/MOAB && cd $HOME/MOAB ; \
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git clone --single-branch -b ${MOAB_BRANCH} --depth 1 ${MOAB_REPO} ; \
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mkdir build && cd build ; \
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cmake ../moab \
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-DENABLE_HDF5=ON \
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-DENABLE_NETCDF=ON \
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-DBUILD_SHARED_LIBS=OFF \
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-DENABLE_FORTRAN=OFF \
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-DENABLE_BLASLAPACK=OFF ; \
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make 2>/dev/null -j${compile_cores} install ; \
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cmake ../moab \
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-DENABLE_PYMOAB=ON \
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-DBUILD_SHARED_LIBS=ON \
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make 2>/dev/null -j${compile_cores} install ; \
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cd pymoab && bash install.sh; \
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python setup.py install; \
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rm -rf $HOME/MOAB ; \
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# Clone and install Double-Down
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mkdir -p $HOME/Double_down && cd $HOME/Double_down; \
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git clone --single-branch -b ${DD_BRANCH} --depth 1 ${DD_REPO} ; \
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mkdir build && cd build; \
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cmake ../double-down \
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-DCMAKE_INSTALL_PREFIX=${DD_INSTALL_DIR} \
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-DMOAB_DIR=/usr/local \
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-DEMBREE_DIR=${EMBREE_INSTALL_DIR} ; \
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make 2>/dev/null -j${compile_cores} install ; \
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rm -rf ${DD_INSTALL_DIR}/build && ${DD_INSTALL_DIR}/double-down; \
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# Clone and install DAGMC
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mkdir -p $HOME/DAGMC && cd $HOME/DAGMC; \
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git clone --single-branch -b ${DAGMC_TAG} --depth 1 ${DAGMC_REPO} ; \
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mkdir build && cd build ; \
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cmake ../DAGMC \
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-DBUILD_TALLY=ON \
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-DCMAKE_INSTALL_PREFIX=${DAGMC_INSTALL_DIR} \
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-DMOAB_DIR=/usr/local \
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-DDOUBLE_DOWN=ON \
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-DDOUBLE_DOWN_DIR=${DD_INSTALL_DIR} \
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-DCMAKE_PREFIX_PATH=${DD_INSTALL_DIR}/lib \
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-DBUILD_STATIC_LIBS=OFF \
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-DBUILD_STATIC_EXE=OFF ; \
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make 2>/dev/null -j${compile_cores} install ; \
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rm -rf ${DAGMC_INSTALL_DIR}/DAGMC ${DAGMC_INSTALL_DIR}/build ; \
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# Clone and install OpenMC with DAGMC support
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mkdir -p $HOME/OpenMC && cd $HOME/OpenMC; \
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git clone --shallow-submodules --recurse-submodules -b ${OPENMC_BRANCH} --depth=1 ${OPENMC_REPO} ; \
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mkdir build && cd build ; \
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cmake ../openmc \
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-Doptimize=on \
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-Ddagmc=ON \
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-Ddebug=on \
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-DDAGMC_DIR=${DAGMC_INSTALL_DIR} \
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-DHDF5_PREFER_PARALLEL=on ; \
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make 2>/dev/null -j${compile_cores} install ; \
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cd ../openmc && pip install -e .[test] ; \
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elif [ "$include_libmesh" = "true" ]; then \
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# Install addition packages required for LIBMESH
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apt-get -y install m4 libnetcdf-dev libpnetcdf-dev ; \
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# Install LIBMESH
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mkdir -p $HOME/LIBMESH && cd $HOME/LIBMESH; \
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git clone --shallow-submodules --recurse-submodules --single-branch -b ${LIBMESH_TAG} --depth 1 ${LIBMESH_REPO} ; \
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mkdir build && cd build; \
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../libmesh/configure \
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--prefix=${LIBMESH_INSTALL_DIR} CXX=mpicxx CC=mpicc FC=mpifort F77=mpif77 \
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--enable-exodus \
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--disable-netcdf-4 \
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--disable-eigen \
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--disable-fortran \
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--disable-lapack \
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--enable-hdf5 \
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--with-hdf5=/usr/lib/x86_64-linux-gnu/hdf5/serial/ \
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--enable-mpi; \
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make 2>/dev/null -j${compile_cores} install ; \
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rm -rf ${LIBMESH_INSTALL_DIR}/build ${LIBMESH_INSTALL_DIR}/libmesh ; \
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# Clone and install OpenMC with LIBMESH support
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mkdir -p $HOME/OpenMC && cd $HOME/OpenMC; \
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git clone --shallow-submodules --recurse-submodules -b ${OPENMC_BRANCH} --depth=1 ${OPENMC_REPO} ; \
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mkdir build && cd build ; \
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cmake ../openmc \
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-Doptimize=on \
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-Dlibmesh=on \
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-Ddebug=on \
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-DCMAKE_PREFIX_PATH=${LIBMESH_INSTALL_DIR} \
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-DHDF5_PREFER_PARALLEL=on ; \
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make 2>/dev/null -j${compile_cores} install ; \
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cd ../openmc && pip install -e .[test] ; \
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else \
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mkdir -p $HOME/OpenMC && cd $HOME/OpenMC; \
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git clone --shallow-submodules --recurse-submodules -b ${OPENMC_BRANCH} --depth=1 ${OPENMC_REPO} ; \
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mkdir build && cd build; \
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cmake -Doptimize=on -DHDF5_PREFER_PARALLEL=on ../openmc ; \
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make 2>/dev/null -j${compile_cores} install ; \
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cd ../openmc && pip install -e .[test] ; \
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fi ;
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||||
# Download cross sections (NNDC and WMP) and ENDF data needed by test suite
|
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RUN /opt/openmc/tools/ci/download-xs.sh
|
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RUN $HOME/OpenMC/openmc/tools/ci/download-xs.sh
|
||||
|
|
|
|||
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