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Merge pull request #1077 from wbinventor/docker
Installing OpenMC using Docker
This commit is contained in:
Paul Romano
GitHub
commit
643e6655e3
6 changed files with 141 additions and 16 deletions
39
Dockerfile
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39
Dockerfile
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FROM ubuntu:latest
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# Setup environment variables for Docker image
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ENV FC=/usr/bin/mpif90 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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OPENMC_CROSS_SECTIONS=/root/nndc_hdf5/cross_sections.xml \
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OPENMC_MULTIPOLE_LIBRARY=/root/WMP_Library \
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OPENMC_ENDF_DATA=/root/endf-b-vii.1
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# Install 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 python3-pip && \
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apt-get install -y wget git emacs && \
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apt-get install -y gfortran g++ cmake && \
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apt-get install -y mpich libmpich-dev && \
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apt-get install -y libhdf5-serial-dev libhdf5-mpich-dev && \
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apt-get install -y imagemagick && \
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apt-get autoremove
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# Update system-provided pip
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RUN pip3 install --upgrade pip
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# Clone and install NJOY2016
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RUN git clone https://github.com/njoy/NJOY2016 /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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# Clone and install OpenMC
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RUN git clone https://github.com/openmc-dev/openmc.git /opt/openmc && \
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cd /opt/openmc && mkdir -p build && cd build && \
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cmake -Doptimize=on -DHDF5_PREFER_PARALLEL=on .. && \
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make && make install && \
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cd .. && pip install -e .[test]
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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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57
docs/source/devguide/docker.rst
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57
docs/source/devguide/docker.rst
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.. _devguide_docker:
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======================
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Deployment with Docker
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======================
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OpenMC can be easily deployed using `Docker <https://www.docker.com/>`_ on any
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Windows, Mac or Linux system. With Docker running, execute the following
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command in the shell to build a `Docker image`_ called ``debian/openmc:latest``:
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.. code-block:: sh
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docker build -t debian/openmc:latest https://github.com/openmc-dev/openmc.git#develop
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.. note:: This may take 5 -- 10 minutes to run to completion.
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This command will execute the instructions in OpenMC's ``Dockerfile`` to
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build a Docker image with OpenMC installed. The image includes OpenMC with
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MPICH and parallel HDF5 in the ``/opt/openmc`` directory, and
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`Miniconda3 <https://conda.io/miniconda.html>`_ with all of the Python
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pre-requisites (NumPy, SciPy, Pandas, etc.) installed. The
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`NJOY2016 <http://www.njoy21.io/NJOY2016/>`_ codebase is installed in
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``/opt/NJOY2016`` to support full functionality and testing of the
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``openmc.data`` Python module. The publicly available nuclear data libraries
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necessary to run OpenMC's test suite -- including NNDC and WMP cross sections
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and ENDF data -- are in the ``/opt/openmc/data directory``, and the
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corresponding :envvar:`OPENMC_CROSS_SECTIONS`,
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:envvar:`OPENMC_MULTIPOLE_LIBRARY`, and :envvar:`OPENMC_ENDF_DATA`
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environment variables are initialized.
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After building the Docker image, you can run the following to see the names of
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all images on your machine, including ``debian/openmc:latest``:
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.. code-block:: sh
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docker image ls
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Now you can run the following to create a `Docker container`_ called
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``my_openmc`` based on the ``debian/openmc:latest`` image:
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.. code-block:: sh
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docker run -it --name=my_openmc debian/openmc:latest
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This command will open an interactive shell running from within the
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Docker container where you have access to use OpenMC.
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.. note:: The ``docker run`` command supports many
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`options <https://docs.docker.com/engine/reference/commandline/run/>`_
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for spawning containers -- including `mounting volumes`_ from the
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host filesystem -- which many users will find useful.
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.. _Docker image: https://docs.docker.com/engine/reference/commandline/images/
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.. _Docker container: https://www.docker.com/resources/what-container
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.. _options: https://docs.docker.com/engine/reference/commandline/run/
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.. _mounting volumes: https://docs.docker.com/storage/volumes/
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@ -18,3 +18,4 @@ other related topics.
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tests
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user-input
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docbuild
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docker
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@ -58,6 +58,29 @@ are no longer supported.
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.. _Personal Package Archive: https://launchpad.net/~paulromano/+archive/staging
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.. _APT package manager: https://help.ubuntu.com/community/AptGet/Howto
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-------------------------------------------
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Installing on Linux/Mac/Windows with Docker
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-------------------------------------------
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OpenMC can be easily deployed using `Docker <https://www.docker.com/>`_ on any
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Windows, Mac or Linux system. With Docker running, execute the following
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command in the shell to download and run a `Docker image`_ with the most recent release of OpenMC from `DockerHub <https://hub.docker.com/>`_ called ``openmc/openmc:v0.10.0``:
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.. code-block:: sh
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docker run openmc/openmc:v0.10.0
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This will take several minutes to run depending on your internet download speed. The command will place you in an interactive shell running in a `Docker container`_ with OpenMC installed.
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.. note:: The ``docker run`` command supports many `options`_ for spawning
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containers -- including `mounting volumes`_ from the host
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filesystem -- which many users will find useful.
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.. _Docker image: https://docs.docker.com/engine/reference/commandline/images/
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.. _Docker container: https://www.docker.com/resources/what-container
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.. _options: https://docs.docker.com/engine/reference/commandline/run/
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.. _mounting volumes: https://docs.docker.com/storage/volumes/
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---------------------------------------
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Installing from Source on Ubuntu 15.04+
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---------------------------------------
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19
tools/ci/download-xs.sh
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19
tools/ci/download-xs.sh
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#!/bin/bash
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set -ex
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# Download NNDC HDF5 data
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if [[ ! -e $HOME/nndc_hdf5/cross_sections.xml ]]; then
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wget https://anl.box.com/shared/static/a0eflty17atnpd0pp7460exagr3nuhm7.xz -O - | tar -C $HOME -xvJ
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fi
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# Download ENDF/B-VII.1 distribution
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ENDF=$HOME/endf-b-vii.1/
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if [[ ! -d $ENDF/neutrons || ! -d $ENDF/photoat || ! -d $ENDF/atomic_relax ]]; then
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wget https://anl.box.com/shared/static/4kd2gxnf4gtk4w1c8eua5fsua22kvgjb.xz -O - | tar -C $HOME -xvJ
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fi
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# Download multipole library
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if [[ ! -e $HOME/WMP_Library/092235.h5 ]]; then
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wget https://github.com/mit-crpg/WMP_Library/releases/download/v1.0/WMP_Library_v1.0.tar.gz
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tar -C $HOME -xzvf WMP_Library_v1.0.tar.gz
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fi
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@ -5,19 +5,5 @@ set -ex
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# https://docs.travis-ci.com/user/gui-and-headless-browsers/#Using-xvfb-to-Run-Tests-That-Require-a-GUI
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sh -e /etc/init.d/xvfb start
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# Download NNDC HDF5 data
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if [[ ! -e $HOME/nndc_hdf5/cross_sections.xml ]]; then
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wget https://anl.box.com/shared/static/a0eflty17atnpd0pp7460exagr3nuhm7.xz -O - | tar -C $HOME -xvJ
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fi
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# Download ENDF/B-VII.1 distribution
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ENDF=$HOME/endf-b-vii.1/
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if [[ ! -d $ENDF/neutrons || ! -d $ENDF/photoat || ! -d $ENDF/atomic_relax ]]; then
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wget https://anl.box.com/shared/static/4kd2gxnf4gtk4w1c8eua5fsua22kvgjb.xz -O - | tar -C $HOME -xvJ
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fi
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# Download multipole library
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if [[ ! -e $HOME/WMP_Library/092235.h5 ]]; then
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wget https://github.com/mit-crpg/WMP_Library/releases/download/v1.0/WMP_Library_v1.0.tar.gz
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tar -C $HOME -xzvf WMP_Library_v1.0.tar.gz
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fi
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# Download NNDC HDF5 data, ENDF/B-VII.1 distribution, multipole library
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sh ./tools/ci/download-xs.sh
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