anchor.diff:  
   RUN git clone https://github.com/mlund/chemistry-notebooks.git
   
  -# download; build; and install faunus
   USER root
   RUN git clone https://github.com/mlund/faunus.git && \
       export CXX=g++-11 && \
  
positive.code: # Copyright (c) Jupyter Development Team.
  # Distributed under the terms of the Modified BSD License.
  #
  # What is installed?
  #
  # - https://jupyter-docker-stacks.readthedocs.io/en/latest/using/selecting.html
  # - GCC 11, CMake, OpenMPI, parmed, nglview, mdtraj
  # - Faunus from main branch 
  # - clone of mlund/chemistry-notebooks
  #
  # Build and run:
  #
  #   docker build -t faunuslab - < Dockerfile
  #   docker run -it -p 8888:8888 faunuslab
  #   (copy notebook url and paste in browser)
  #
  ARG OWNER=jupyter
  ARG BASE_CONTAINER=jupyter/scipy-notebook:lab-3.3.2
  FROM $BASE_CONTAINER
  
  LABEL maintainer="Faunus Project"
  
  # Fix: https://github.com/hadolint/hadolint/wiki/DL4006
  # Fix: https://github.com/koalaman/shellcheck/wiki/SC3014
  
negative.code:     cmake \
      libopenmpi-dev openmpi-bin openmpi-common \
      vim \
      zlib1g-dev && \
      apt-get clean && rm -rf /var/lib/apt/lists/*
  
  