ubuntu_20.04-dev.dockerfile

FROM ubuntu:20.04

ENV HOME /root

# set timezone information (edit TZ for different timezone)
ENV TZ=America/Chicago
RUN ln -snf /usr/share/zoneinfo/$TZ /etc/localtime && echo $TZ > /etc/timezone

# install apt dependencies
RUN apt-get -y  update
RUN apt-get install -y software-properties-common \
                       python3-pip \
                       wget \
                       build-essential \
                       git \
                       cmake \
                       gfortran \
                       libblas-dev \
                       liblapack-dev \
                       libeigen3-dev \
                       libhdf5-dev \
                       hdf5-tools

# need to put libhdf5.so on LD_LIBRARY_PATH
ENV LD_LIBRARY_PATH /usr/lib/x86_64-linux-gnu

# switch to python 3
RUN update-alternatives --install /usr/bin/python python /usr/bin/python3 10; \
    update-alternatives --install /usr/bin/pip pip /usr/bin/pip3 10;

# upgrade pip and install python dependencies
ENV PATH $HOME/.local/bin:$PATH
RUN python -m pip install --user --upgrade pip
RUN pip install --user numpy \
                       scipy \
                       cython \
                       nose \
                       tables \
                       matplotlib \
                       jinja2 \
                       setuptools \
                       future

# make working directory
WORKDIR $HOME/opt

# build MOAB
RUN mkdir moab \
    && cd moab \
    && git clone --branch Version5.1.0 --single-branch https://bitbucket.org/fathomteam/moab moab \
    && mkdir build \
    && cd build \
    && cmake ../moab/ \
             -DCMAKE_INSTALL_PREFIX=$HOME/opt/moab \
             -DENABLE_HDF5=ON \
             -DBUILD_SHARED_LIBS=ON \
             -DENABLE_PYMOAB=ON \
             -DENABLE_BLASLAPACK=OFF \
             -DENABLE_FORTRAN=OFF \
    && make \
    && make install \
    && cd .. \
    && rm -rf build moab

# put MOAB on the path
ENV LD_LIBRARY_PATH $HOME/opt/moab/lib:$LD_LIBRARY_PATH
ENV PYTHONPATH $HOME/opt/moab/lib/python3.8/site-packages/

RUN mkdir dagmc \
    && cd dagmc \
    && git clone --branch develop --single-branch https://github.com/svalinn/DAGMC.git DAGMC \
    && mkdir build \
    && cd build \
    && cmake ../DAGMC \
             -DMOAB_DIR=$HOME/opt/moab \
             -DBUILD_STATIC_LIBS=OFF \
             -DCMAKE_INSTALL_PREFIX=$HOME/opt/dagmc \
    && make \
    && make install \
    && cd .. \
    && rm -rf build DAGMC

# Install OpenMC API
RUN git clone https://github.com/openmc-dev/openmc.git \
    && cd openmc && git checkout develop \
    && mkdir bld && cd bld \
    && cmake .. -DCMAKE_INSTALL_PREFIX=$HOME/.local \
    && make && make install \
    && cd .. && pip install .

# Install PyNE
RUN git clone https://github.com/pyne/pyne.git \
    && cd pyne \
    && python setup.py install --user \
                               --moab $HOME/opt/moab \
                               --dagmc $HOME/opt/dagmc \
                               --clean

RUN echo "export PATH=$HOME/.local/bin:\$PATH" >> ~/.bashrc \
    && echo "export LD_LIBRARY_PATH=$HOME/.local/lib:\$LD_LIBRARY_PATH" >> ~/.bashrc \
    && echo "alias build_pyne='python setup.py install --user -- -DMOAB_LIBRARY=\$HOME/opt/moab/lib -DMOAB_INCLUDE_DIR=\$HOME/opt/moab/include'" >> ~/.bashrc

ENV LD_LIBRARY_PATH $HOME/.local/lib:$LD_LIBRARY_PATH

RUN cd $HOME && nuc_data_make

RUN cd pyne/tests \
    && ./travis-run-tests.sh \
    && echo "PyNE build complete. PyNE can be rebuilt with the alias 'build_pyne' executed from $HOME/opt/pyne"