Guide for Developers

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THIS WIKI IS ALMOST CERTAINLY OUTDATED and most content remains here for historical reasons. Some content is here because we haven't found a better place. IF YOU WANT TO CONTRIBUTE TO MDANALYSIS, START BY READING THE Contributor Guide in the User Guide INSTEAD OF READING THE WIKI.

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Useful Links for Developing MDAnalysis

Searching: Search This Repository functionality at the top of the page and look under the Wiki tab. Alternatively, you can install the GitHub Wiki Search plugin into your browser, which patches a search box into any GitHub wiki that you visit.

First read

• Code of conduct
• Style Guide

Then look at (in no particular order)

• Setup Development Environment
• Contributing code
• Testing
• Writing documentation

Developer docs

The online docs (development branch) for the development branch are updated with every merge into develop. Check these docs (and make sure that your own documentation changes look ok).

• Trajectory API
  • Trajectory API
  • File formats
• Topology API
  • Writing a new topology reader
  • Guide to new topology format
  • Topology data structures
  • New Topology Docs (since 0.16.0, aka "#363")
    • changes in the new topology system
    • Using TopologyAttributes
• MDAnalysis.analysis API

For maintainers/release managers

• Preparing a release
• Semantic Versioning

Continuous integration

• Summary of our current continuous integration strategy

Notes on configuring our CI providers.

• GitHub actions
• Azure

Website and repository management

• OAuth tokens for doc deployment
• Moving the Project to GitHub

Benchmarking and Performance

• benchmark with asv (wiki)