• You have sticked to Python. Please talk to us before adding other programming languages to HADDOCK3
• Your PR is about CNS
• Your code is well documented: proper docstrings and explanatory comments for those tricky parts
• You structured the code into small functions as much as possible. You can use classes if there is a (state) purpose
• Your code follows our coding style
• You wrote tests for the new code
• tox tests pass. Run tox command inside the repository folder
• -test.cfg examples execute without errors. Inside examples/ run python run_tests.py -b
• PR does not add any dependencies, unless permission granted by the HADDOCK team
• PR does not break licensing
• Your PR is about writing documentation for already existing code 🔥
• Your PR is about writing tests for already existing code

The basic idea is to have an automated procedure to update HADDOCK3 versions based on current state of the repository.

For this:

• git log data is searched for the last merged pull request and its commit id is retrieved.
• This commit id is then used to update the patch version (v_patch) of haddock.

Also, the setup.py uses this function to automatically update the version at setup time.

The file responsible of all of this is patch_update.py, and have been added in the tox.ini for lint checks.

Hopefully, this closes #679 .