cnerg · bam241 · Jan 30, 2019 · Jan 30, 2019 · Jan 30, 2019 · Jan 30, 2019
diff --git a/README.md b/README.md
@@ -1,3 +1,19 @@
 # CNERG Dockerfiles
 
 A set of dockerfiles to be shared among CNERG users for our mutual benefit and convenience.
+
+ubuntu:
+    -u.18.04.py.2.7: ubuntu 18.04 + python 2.7
+    -u.18.04.py.3.6: ubuntu 18.04 + python 3.6
+
+moab:
+    - u.18.04_py.2.7_moab.5.1.0: moab 5.1.0 against ubuntu 18.04 + python 2.7
+    - u.18.04_py.3.6_moab.5.1.0: moab 5.1.0 against ubuntu 18.04 + python 3.6
+
+dagmc:
+    - u.18.04_py.2.7_moab.5.1.0_dagmc.dev: dagmc develop against ubuntu 18.04 + python 2.7 + moab 5.1.0 
+    - u.18.04_py.3.6_moab.5.1.0_dagmc.dev: dagmc develop against ubuntu 18.04 + python 3.6 + moab 5.1.0 
+
+pyne:
+    - u.18.04_py.2.7_moab.5.1.0_dagmc.dev_pyne.dev: pyne develop against ubuntu 18.04 + python 2.7 + moab 5.1.0 + dagmc develop 
+    - u.18.04_py.3.6_moab.5.1.0_dagmc.dev_pyne.dev: pyne develop against ubuntu 18.04 + python 3.6 + moab 5.1.0 + dagmc develop 
diff --git a/dagmc/u.18.04_py.2.7_moab.5.1.0_dagmc.dev.dockerfile b/dagmc/u.18.04_py.2.7_moab.5.1.0_dagmc.dev.dockerfile
@@ -0,0 +1,16 @@
+FROM ubuntu.18.04_python.2.7_moab:5.1.0
+
+ENV INSTALL_PATH=$HOME/opt/dagmc
+RUN cd /root \\
+    && git clone https://github.com/svalinn/DAGMC.git \
+    && cd DAGMC \
+    && git checkout develop \
+    && mkdir bld \
+    && cd bld \
+    && cmake .. -DMOAB_DIR=$HOME/opt/moab \
+             -DCMAKE_INSTALL_PREFIX=$INSTALL_PATH \
+    && make \
+    && make install
+
+# Define default command
+CMD ["/bin/bash"]
diff --git a/dagmc/u.18.04_py.3.6_moab.5.1.0_dagmc.dev.dockerfile b/dagmc/u.18.04_py.3.6_moab.5.1.0_dagmc.dev.dockerfile
@@ -0,0 +1,16 @@
+FROM ubuntu.18.04_python.3.6_moab:5.1.0
+
+ENV INSTALL_PATH=$HOME/opt/dagmc
+RUN cd /root \\
+    && git clone https://github.com/svalinn/DAGMC.git \
+    && cd DAGMC \
+    && git checkout develop \
+    && mkdir bld \
+    && cd bld \
+    && cmake .. -DMOAB_DIR=$HOME/opt/moab \
+             -DCMAKE_INSTALL_PREFIX=$INSTALL_PATH \
+    && make \
+    && make install
+
+# Define default command
+CMD ["/bin/bash"]
diff --git a/moab → moab.dockerfile b/moab → moab.dockerfile
diff --git a/moab/u.18.04_py.2.7_moab.5.1.0.dockerfile b/moab/u.18.04_py.2.7_moab.5.1.0.dockerfile
@@ -0,0 +1,43 @@
+FROM ubuntu.18.04_py:2.7
+
+# make starting directory
+RUN mkdir -p $HOME/opt
+RUN echo "export PATH=$HOME/.local/bin:\$PATH" >> ~/.bashrc \
+    && echo "alias build_pyne='python setup.py install --user -j 3 -DMOAB_LIBRARY=\$HOME/opt/moab/lib -DMOAB_INCLUDE_DIR=\$HOME/opt/moab/include'" >> ~/.bashrc \
+    && echo "alias python=python" >> ~/.bashrc \
+    && echo "alias nosetests=nosetests3" >> ~/.bashrc
+
+RUN pip install cython --force-reinstall
+
+# build MOAB
+RUN cd $HOME/opt \
+  && mkdir moab \
+  && cd moab \
+  && git clone https://bitbucket.org/fathomteam/moab \
+  && cd moab \
+  && git checkout -b Version5.1.0 origin/Version5.1.0 \
+  && cd .. \
+  && mkdir build \
+  && cd build \
+  && ls ../moab/ \
+  && cmake ../moab/ \
+        -DCMAKE_INSTALL_PREFIX=$HOME/opt/moab \
+        -DENABLE_HDF5=ON \
+  && make -j 3 \
+  && make install \
+  && cmake ../moab/ \
+        -DCMAKE_INSTALL_PREFIX=$HOME/opt/moab \
+        -DENABLE_HDF5=ON \
+        -DBUILD_SHARED_LIBS=OFF \
+  && make -j 3 \
+  && make install \
+  && cd .. \
+  && rm -rf build moab
+
+# put MOAB on the path
+ENV LD_LIBRARY_PATH $HOME/opt/moab/lib:$LD_LIBRARY_PATH
+ENV LIBRARY_PATH $HOME/opt/moab/lib:$LIBRARY_PATH
+ENV PYTHONPATH=$HOME/opt/moab/lib/python2.7/site-packages/
+
+# Define default command
+CMD ["/bin/bash"]
diff --git a/moab/u.18.04_py.3.6_moab.5.1.0.dockerfile b/moab/u.18.04_py.3.6_moab.5.1.0.dockerfile
@@ -0,0 +1,41 @@
+FROM ubuntu.18.04_py:3.6
+
+# make starting directory
+RUN mkdir -p $HOME/opt
+RUN echo "export PATH=$HOME/.local/bin:\$PATH" >> ~/.bashrc \
+    && echo "alias build_pyne='python setup.py install --user -j 3 -DMOAB_LIBRARY=\$HOME/opt/moab/lib -DMOAB_INCLUDE_DIR=\$HOME/opt/moab/include'" >> ~/.bashrc \
+    && echo "alias python=python" >> ~/.bashrc \
+    && echo "alias nosetests=nosetests3" >> ~/.bashrc
+
+# build MOAB
+RUN cd $HOME/opt \
+  && mkdir moab \
+  && cd moab \
+  && git clone https://bitbucket.org/fathomteam/moab \
+  && cd moab \
+  && git checkout -b Version5.1.0 origin/Version5.1.0 \
+  && cd .. \
+  && mkdir build \
+  && cd build \
+  && ls ../moab/ \
+  && cmake ../moab/ \
+        -DCMAKE_INSTALL_PREFIX=$HOME/opt/moab \
+        -DENABLE_HDF5=ON \
+  && make -j 3 \
+  && make install \
+  && cmake ../moab/ \
+        -DCMAKE_INSTALL_PREFIX=$HOME/opt/moab \
+        -DENABLE_HDF5=ON \
+        -DBUILD_SHARED_LIBS=OFF \
+  && make -j 3 \
+  && make install \
+  && cd .. \
+  && rm -rf build moab
+
+# put MOAB on the path
+ENV LD_LIBRARY_PATH $HOME/opt/moab/lib:$LD_LIBRARY_PATH
+ENV LIBRARY_PATH $HOME/opt/moab/lib:$LIBRARY_PATH
+ENV PYTHONPATH=$HOME/opt/moab/lib/python3.6/site-packages/
+
+# Define default command
+CMD ["/bin/bash"]
diff --git a/pyne/u.18.04_py.2.7_moab.5.1.0_dagmc.dev_pyne.dev.dockerfile b/pyne/u.18.04_py.2.7_moab.5.1.0_dagmc.dev_pyne.dev.dockerfile
@@ -0,0 +1,15 @@
+from ubuntu.18.04_python.2.7_moab.5.1.0_dagmc:dev
+
+# Install PyNE
+RUN cd $HOME/opt \
+    && git clone https://github.com/cnerg/pyne.git \
+    && cd pyne \
+    && git checkout pymoab_cleanup \
+    && python setup.py install --user \
+                                --moab $HOME/opt/moab --dagmc $HOME/opt/dagmc --clean
+
+ENV PATH $HOME/.local/bin:$PATH
+RUN cd $HOME && nuc_data_make
+
+# Define default command
+CMD ["/bin/bash"]
diff --git a/pyne/u.18.04_py.3.6_moab.5.1.0_dagmc.dev_pyne.dev.dockerfile b/pyne/u.18.04_py.3.6_moab.5.1.0_dagmc.dev_pyne.dev.dockerfile
@@ -0,0 +1,15 @@
+from ubuntu.18.04_python.3.6_moab.5.1.0_dagmc:dev
+
+# Install PyNE
+RUN cd $HOME/opt \
+    && git clone https://github.com/cnerg/pyne.git \
+    && cd pyne \
+    && git checkout pymoab_cleanup \
+    && python3 setup.py install --user \
+                                --moab $HOME/opt/moab --dagmc $HOME/opt/dagmc --clean
+
+ENV PATH $HOME/.local/bin:$PATH
+RUN cd $HOME && nuc_data_make
+
+# Define default command
+CMD ["/bin/bash"]
diff --git a/ubuntu.18.04_python_moab.5.1.0_dagmc.dev_pyne.dev.sh b/ubuntu.18.04_python_moab.5.1.0_dagmc.dev_pyne.dev.sh
@@ -0,0 +1,23 @@
+#!/bin/bash
+
+
+py_v="3.6"
+if [ ! $# -eq 1 ]; then
+    echo "Python version not specified!"
+    echo "Using default version: ${py_v}"
+elif [ $1 == "3.6" ] || [ $1 == "2.7" ]; then
+    py_v=$1
+else 
+    echo "2.7 and 3.6 are the only supported Python version !"
+    echo "Using default version: ${py_v}"
+fi
+
+# build Ubuntu 18.04 with required python version
+docker build -t ubuntu.18.04_py:${py_v} -f ubuntu/u.18.04.py.${py_v}.dockerfile .
+# build moab
+docker build -t ubuntu.18.04_python.${py_v}_moab:5.1.0 -f moab/u.18.04_py.${py_v}_moab.5.1.0.dockerfile .
+# build dagmc
+docker build -t ubuntu.18.04_python.${py_v}_moab.5.1.0_dagmc:dev -f dagmc/u.18.04_py.${py_v}_moab.5.1.0_dagmc.dev.dockerfile .
+# build pyne
+docker build -t ubuntu.18.04_py.${py_v}_moab.5.1.0_dagmc.dev_pyne:dev -f pyne/u.18.04_py.${py_v}_moab.5.1.0_dagmc.dev_pyne.dev.dockerfile .
+
diff --git a/ubuntu/u.18.04.py.2.7.dockerfile b/ubuntu/u.18.04.py.2.7.dockerfile
@@ -0,0 +1,26 @@
+FROM ubuntu:18.04
+
+ENV TZ=America/Chicago
+RUN ln -snf /usr/share/zoneinfo/$TZ /etc/localtime && echo $TZ > /etc/timezone
+
+ENV HOME /root
+RUN apt-get update \
+    && apt-get install -y --fix-missing \
+            software-properties-common wget g++ \
+            build-essential python-numpy python-scipy cython python-setuptools \
+            python-nose git cmake vim emacs gfortran libblas-dev \
+            liblapack-dev libhdf5-dev libhdf5-serial-dev gfortran python-tables \
+            python-matplotlib python-jinja2 python-dev libpython-dev \
+            autoconf libtool python-setuptools python-pip doxygen \
+    && apt-get clean -y \
+    && pip install sphinx \
+            cloud_sptheme \
+            prettytable \
+            sphinxcontrib_bibtex \
+            numpydoc \
+            nbconvert \
+            numpy 
+
+
+# Define default command
+CMD ["/bin/bash"]
diff --git a/ubuntu/u.18.04.py.3.6.dockerfile b/ubuntu/u.18.04.py.3.6.dockerfile
@@ -0,0 +1,28 @@
+FROM ubuntu:18.04
+
+ENV TZ=America/Chicago
+RUN ln -snf /usr/share/zoneinfo/$TZ /etc/localtime && echo $TZ > /etc/timezone
+
+ENV HOME /root
+
+RUN apt-get update \
+    && apt-get install -y --fix-missing \
+            software-properties-common wget g++ \
+            build-essential python3-numpy python3-scipy cython python3-setuptools \
+            python3-nose git cmake vim emacs gfortran libblas-dev \
+            liblapack-dev libhdf5-dev libhdf5-serial-dev gfortran python3-tables \
+            python3-matplotlib python3-jinja2 python3-dev libpython3-dev \
+            autoconf libtool python-setuptools python3-pip doxygen \
+    && apt-get clean -y \
+    && update-alternatives --install /usr/bin/python python /usr/bin/python3 10 \
+    && pip3 install --force-reinstall \
+            sphinx \
+            cloud_sptheme \
+            prettytable \
+            sphinxcontrib_bibtex \
+            numpydoc \
+            nbconvert \
+            cython
+
+# Define default command
+CMD ["/bin/bash"]