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Python_Packaging.md

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Python Packaging

The material for the python packaging lessons is adapted from the MolSSI Python Package Setup Lessons. The lessons will cover

  • The use of the MDAnalysis CookieCutter
  • The file structures produced by the cookiecutter.
  • How to develop and use a python package utilizing the cookiecutter output.

We will utilize the MDAnalysis CookieCutter to create a repository and fill it with code from the MDAnalysis mdgeomkit repository developed for the workshop.

The code can be found at https://github.com/MDAnalysis/mdgeomkit