Further improves CONTRIBUTING

[joaomcteixeira]

Completes the CONTRIBUTING guidelines. This should be enough. The CONTRIBUTING file is not an explanation of how to use github or how to dev code, but how to interact with the project. Do you find something missing? You can read the rendered markdown version of the file here.

[rvhonorato]

Looks good overall, would also be helpful if there was a checklist (maybe as a template). Based on what you wrote, would be something like

---

Conditions for PR to be approved:

• PR contains only Python code
• PR does not add dependency
• PR does not contain Python Classes
• PR follows code style
• PR passes tests
• PR does not break license

If any of these criteria are not met, add a detailed justification below:
...

---

[joaomcteixeira]

Thanks Rodrigo. I will add those in the PR template. Okay Alexandre, will add that info too.

[codecov-commenter]

Codecov Report

Merging #334 (7e42d57) into main (ce56df2) will increase coverage by 0.01%.
The diff coverage is n/a.

@@            Coverage Diff             @@
##             main     #334      +/-   ##
==========================================
+ Coverage   57.73%   57.74%   +0.01%     
==========================================
  Files          61       61              
  Lines        3712     3711       -1     
==========================================
  Hits         2143     2143              
+ Misses       1569     1568       -1     

Impacted Files	Coverage Δ
src/haddock/modules/refinement/emref/__init__.py	24.19% <0.00%> (ø)
src/haddock/modules/refinement/mdref/__init__.py	24.59% <0.00%> (ø)
src/haddock/modules/refinement/flexref/__init__.py	24.19% <0.00%> (ø)
src/haddock/modules/sampling/rigidbody/__init__.py	24.59% <0.00%> (ø)
src/haddock/libs/libcns.py	36.62% <0.00%> (+0.21%)	⬆️

---

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[rvhonorato]

Changed the grammar of some bits, see if you agree.

-test.cfg examples

This is real-world Doublethink 🐑

[joaomcteixeira]

Great 👍
Sorry, I normally format .md files to max 72 lines. But that's no reason for that, or 80, or whatever, as long as they are not 400 chars lines. It's perfectly fine as you did. If @amjjbonvin agrees we can merge 😉

[rvhonorato]

Actually I just thought of something else; I am fine with following arbitrary rules (as long as they are clear, and I think this PR makes it much more clear), but since we want to have a community developing for haddock3, would be nice if the rules had some sort of motivation - if you think its relevant, of course.

For example:

• Only python code - why?
• Avoid use of classes - many of us when we learn python, classes are there on lesson 2. So why not use them? How do they affect HADDOCK in a bad way?
• Does not add dependencies - if we are working on an open source and community driven project, why not use things that the community have developed? doesn't this go against Don't Repeat Yourself paradigm?
• Why attach testing to tox? (This makes tox a dependency)
• Shouldn't different modules be allowed different styles? They should be indeed modular and separate from the main code.
• What is considered "well documented", docstrings with parameters and return or just a lot of # on top of each line?

Just a few points that I can think off, of course if you don't agree with answering this or don't think this is needed for the community, also fine.

[amjjbonvin]

Only python code - why?

I guess only for the module machinery, but the module might call software written in different languages - we already have Fortran with CNS. And some other components might be in different languages. E.g. if we build a gromacs module Performance is important here.

Does not add dependencies - if we are working on an open source and community driven project, why not use things that the community have developed? doesn't this go against Don't Repeat Yourself paradigm?

Any new module will add dependencies if it integrates some new software… Unavoidable.

[rvhonorato]

Based on what we discussed elsewhere, I've added a new step 6 that explains the motivations behind the contribution rules so that it is also clear for someone outside the group, think this one can be merged! Thanks for making this clear @joaomcteixeira ;)

[joaomcteixeira]

Made some improvements for clarity