PyE-C - Environ Python wrapping tools

`PyE-C` turns Environ into a Python engine for integration with other multiscale methods

Installation

• Compile Environ (see compilation instructions in Environ's README file)
• Set the path to the Environ directory (if not PyE-C/Environ) with

  export envdir=absolute-path-to-Environ
  

• Install PyE-C with

  pip install .
  

FAQ

• Some Intel MPI/MKL errors occur. What do I do?
  • Try

    export LD_PRELOAD=/opt/intel/mkl/lib/intel64/libmkl_rt.so
    

  • exact path may vary