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Wrapper Development Template

The aim of this repository is to exemplify how to develop a new wrapper for SimPhoNy. Before you start, please have a look at the SimPhoNy documentation (in particular the wrapper development section).

Clone this repository to use it as a template to create your own wrapper. It provides project configuration files, a folder structure, an example of a minimalistic implementation of a wrapper, tests, and a documentation template. While writing the documentation, you can show it on your web browser using sphinx-autobuild.

The version number of this project matches the number of the simphony-osp package version for which it was last updated. As SimPhoNy follows the Semantic Versioning convention, this wrapper development prototype should be compatible with the newest version of SimPhoNy as long as their major version numbers match.

Do not forget to choose a license and change the license information in the files LICENSE.md, pyproject.toml and docs/conf.py before publishing your wrapper!

Contact: Material Informatics team at Fraunhofer IWM