🔧 Add tox configuration

[chrisjsewell]

Surprised no one has looked to add this before.
tox is a ubiquitous test automation tool,
simply pip/conda install tox then run e.g. tox -- tests/tools/groups/test_paths.py and it will set up your test environment (or re-use the cached one) and run pytest.
Massively helpful when you are working across multiple repositories with different test environments!

Want to run against a different python version / backend? tox -e py38-sqla -- tests/tools/groups/test_paths.py
Want to test the docs? tox -e docs-clean or tox -e docs-update

[codecov]

Codecov Report

Merging #4355 into develop will not change coverage.
The diff coverage is n/a.

@@           Coverage Diff            @@
##           develop    #4355   +/-   ##
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  Coverage    79.32%   79.32%           
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  Files          468      468           
  Lines        34713    34713           
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  Hits         27533    27533           
  Misses        7180     7180           

Flag	Coverage Δ
#django	72.94% <ø> (+0.01%)	⬆️
#sqlalchemy	72.15% <ø> (-<0.01%)	⬇️

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[sphuber]

The utils.dependency_management.generate_pyproject_toml is giving you shit here ;) It assumed that the [build-system] is the only key in our pyproject.toml and will regenerate it from scratch, thereby deleting your added tox config. You will have to adapt that function to at worst recreate the [build-system] section.

On another note, is that literal string syntax currently the only way that tox can be configured through the pyproject.toml? 🤮

Edit: found that they are considering it, but it is not on the list of priorities

[greschd]

Tagging @csadorf, guess it's time to pick this discussion back up.

[chrisjsewell]

Edit: found that they are considering it

yeh but hey at least it can go in there 🤷

assumed that the [build-system] is the only key in our pyproject.toml and will regenerate it from scratch

what is this madness lol, maybe it would just be better to just check that it is consistent with setup.json in the pre-commit rather than rebuilding

Alternatively, for now, I could add a tox.ini and move the contents of pytest.ini into it; keeping the same net number of files 😉

[sphuber]

what is this madness lol, maybe it would just be better to just check that it is consistent with setup.json in the pre-commit rather than rebuilding

Alternatively, for now, I could add a tox.ini and move the contents of pytest.ini into it; keeping the same net number of files wink

Nonono, in the long run we definitely want to start relying more heavily on pyproject.toml (in my opinion) and so anyway we will have to address the fact that it is plainly overwritten now. No point in pushing this further down the line.

[chrisjsewell]

Yeh was just trying to lazy lol.
FYI, I've been working quite closely with the main maintainer of pip recently (pradyunsg, who added all the new resolver stuff).
He's pretty big on pyproject.toml, and also https://flit.readthedocs.io for packaging
https://flit.readthedocs.io/ (not that I expect aiida-core to use it, but worth a look if you're interested)

[csadorf]

what is this madness lol, maybe it would just be better to just check that it is consistent with setup.json in the pre-commit rather than rebuilding

It is likely possibly to improve the logic, but I also have only so much time to spend on these things. Feel free to create a PR with an improved logic, the validator function is already implemented.

Concerning tox, I moved away from it in the vast majority of my projects, because I had more trouble with it then gaining from it. But if it works well here, I see no reason why not to include it.

[chrisjsewell]

because I had more trouble with it then gaining from it. But if it works well here, I see no reason why not to include it.

Interesting, I've being using it on about 10 different projects, including aiida-core, and it's worked like a charm
(in particular using with the tox-conda plugin)

[csadorf]

because I had more trouble with it then gaining from it. But if it works well here, I see no reason why not to include it.

Interesting, I've being using it on about 10 different projects, including aiida-core, and it's worked like a charm
(in particular using with the tox-conda plugin)

It's been a few years since I touched it so possible that it improved or maybe I didn't use it right or maybe there was some other reason that it didn't fit and I decided to abandon it. So, just to emphasize: no qualms with applying it here if it works well. 👍

[chrisjsewell]

It's been a few years ... so possible that it improved

yeh quite possibly, I only "discovered" it recently and am now wondering how I lived without it lol

Ok well I will try to make the pre-commit fix here

[chrisjsewell]

Ok well I will try to make the pre-commit fix here

All done.
As you'll see, I've moved from toml to tomlkit for read/write of pyproject.toml. This is because it preserves formatting and comments, which toml does not (uiri/toml#77).

[csadorf]

Please adjust the doc-string as well to reflect the change in function.

[csadorf]

Thx a lot!