troyvvgroup / quemb

QuEmb is an open-source tool for efficient quantum chemistry simulation of large molecules and solids (1D and 2D periodic systems) via bootstrap embedding technique.
Apache License 2.0
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Onboarding for new developers #10

Open mcocdawc opened 3 days ago

mcocdawc commented 3 days ago

Here I would like to collect information for onboarding new developers.

PEP8

https://peps.python.org/pep-0008/

ruff

Developers just need to

pip install ruff

and then execute

ruff format `git rev-parse --show-toplevel`
# one can also add the --diff option to have a dry-run of how ruff would format the files.

to achieve consistent formatting and

ruff check `git rev-parse --show-toplevel`

for static code analysis.

git-hook

One should eventually execute

git config --local core.hooksPath .githooks/

to enable local commit hooks, that can perform some simple sanity checks.

git merge policy

pytest

mscho527 commented 2 days ago

Maybe a few things about the pytest test suite?