This guide is intended to provide an introduction for scientists interested in creating an MDAKit, who may not be familiar with software development terms and best practices. As such, it has an MDAnalysis-centric perspective, and will often list tools and methods that are specific to Python packages. These do not represent the the only way of doing things, nor are all MDAKits required to by pure Python packages. However, it is hoped this guide will still serve broadly as a general introduction to soem basic concepts in software development.
- Links to other resources:
- MolSSI
- etc
Contents: - Writing Code - Version control + distributed software development - Documentation - Testing and continous integration - Packaging, deployments + releases - Community resources