add initial docker instructions file and readme

docker/Dockerfile

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+FROM ubuntu:20.04
+
+RUN apt -y update && apt install -y apt-utils && echo yes
+
+RUN DEBIAN_FRONTEND=noninteractive \
+    apt install -y --no-install-recommends \
+    make \
+    gcc \
+    gfortran \
+    git \
+    subversion \
+    file \
+    less \
+    patch \
+    pkg-config \
+    wget \
+    libcfitsio-dev \
+    libcfitsio-bin \
+    libbz2-dev \
+    python3 \
+    python3-dev \
+    python3-pip \
+    python3-pil \
+    python3-tk \
+    # # Remove APT files
+    && apt-get clean && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
+
+# Python related stuff
+RUN echo "../site-packages" > /usr/local/lib/python3.8/dist-packages/site-packages.pth
+
+# Pip installs
+RUN for x in \
+    setuptools \
+    wheel \
+    numpy \
+    scipy \
+    matplotlib \
+    astropy \
+    fitsio \
+    numba \
+    pyyaml \
+    requests \
+    scikit-learn \
+    healpy \
+    seaborn \
+    photutils \
+    ipython \
+    ipykernel \
+    h5py \
+    pytest \
+    emcee \
+    configobj \
+    sqlalchemy \
+    corner \
+    ppxf \
+    fnnls \
+    ; do pip3 install $x; done \
+    && rm -Rf /root/.cache/pip
+
+# python = python3
+RUN ln -s /usr/bin/python3 /usr/bin/python
+
+RUN mkdir -p /src
+WORKDIR /src
+
+# install FSPS
+RUN git clone https://github.com/cconroy20/fsps
+RUN cd fsps/src \
+    && F90FLAGS="-fPIC" make
+
+RUN git clone https://github.com/dkirkby/speclite.git
+RUN cd speclite \
+    && python setup.py install
+
+RUN git clone https://github.com/changhoonhahn/gqp_mc.git
+# RUN cd gqp_mc \
+#     && python setup.py install
+
+ENV SPS_HOME /src/fsps
+
+RUN git clone https://github.com/dfm/python-fsps.git \
+    && cd python-fsps \
+    && python setup.py install \
+    && cd .. \
+    && rm -rf python-fsps
+
+RUN for package in \
+    desiutil \
+    desimodel \
+    desitarget \
+    desispec \
+    desisim \
+    prospect \
+    specsim \
+    redrock; do \
+      git clone https://github.com/desihub/$package; \
+      # cd $package; \
+      # python setup.py develop;
+    done
+
+ENV PATH /src/desiutil/bin:/src/desimodel/bin:/src/desitarget/bin:/src/desispec/bin:/src/desisim/bin:/src/prospect/bin:/src/redrock/bin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
+ENV PYTHONPATH /src/desiutil/py:/src/desimodel/py:/src/desitarget/py:/src/desispec/py:/src/desisim/py:/src/prospect/py:/src/redrock/py:/src/gqp_mc/gqp_mc
+
+RUN git clone https://github.com/desihub/redrock-templates
+
+# RUN git clone https://github.com/desihub/fiberassign \
+#     && cd fiberassign \
+#     && python setup.py install
+
+ENV DESIMODEL /src/desimodel
+
+RUN cd $DESIMODEL \
+    && svn export https://desi.lbl.gov/svn/code/desimodel/trunk/data
+
+ENV DESI_ROOT /global/cfs/cdirs/desi
+ENV RR_TEMPLATE_DIR /src/redrock-templates
+
+RUN mkdir /homedir && chmod 777 /homedir
+ENV HOME /homedir
+
+ENV HDF5_USE_FILE_LOCKING FALSE
+ENV GQPMC_DIR $HOME
+
+# set prompt and default shell
+SHELL ["/bin/bash", "-c"]
+
+RUN echo "export PS1='[container] \\u@\\h:\\w$ '" >> $HOME/.bashrc \
+  # Create config files in $HOME
+  && python -c "import astropy" \
+  && python -c "import matplotlib.font_manager as fm; f = fm.FontManager()" \
+  && ipython -c "print('hello')"
+
+ENTRYPOINT ["/bin/bash", "-c"]
+CMD ["/bin/bash"]

docker/README

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+Build a Docker container for the gqp_mc project.
+================================================
+
+```
+docker build . -t desihub/gqp_mc
+docker push desihub/gqp_mc:latest
+
+docker tag desihub/gqp_mc:latest desihub/gqp_mc:v0.0.1
+docker push desihub/gqp_mc:v0.0.1
+```
+
+To enter the container (with a shell prompt) on a laptop do:
+```
+docker pull desihub/gqp_mc:latest
+docker run -it desihub/gqp_mc:latest
+```
+
+Or at NERSC:
+```
+shifterimg pull docker:desihub/gqp_mc:latest
+shifter --image docker:desihub/gqp_mc:latest bash
+```
+
+To use this image with Jupyter check out the instructions here:
+https://docs.nersc.gov/services/jupyter/#shifter-kernels-on-jupyter