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doc: Add some notes for running
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Liam-Deacon committed Jan 13, 2024
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Expand Up @@ -25,8 +25,23 @@ To quote the original authors' site:

http://www.icts.hkbu.edu.hk/surfstructinfo/SurfStrucInfo_files/leed/leedpack.html

The `phsh.py` script aims to simplify these steps with a single command. For more
information please read the documentation at `<http://pythonhosted.org//phaseshifts/>`_
Running
=======

The `phsh.py` script (available after installing the package) aims to simplify these
steps with a single command. For more information please read the documentation
at `<http://pythonhosted.org//phaseshifts/>`_

The simplest and most reliable cross-platform way to run `phsh.py` is through docker::

docker run lightbytes/phaseshifts:latest # will display usage

# or more generally (adjust as needed)
docker run lightbytes/phaseshifts:latest -v /path/to/host/input/data:/data [<phsh-args> ...]


.. tip:: Development docker images can be built locally, e.g. :code:`docker build . -t lightbytes/phaseshifts:dev`


Install
=======
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