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Update Project Structure to MolSSI CMS Template #41
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* Adds GitHub Actions workflows for automated CI and linting, and the required helper scripts (devtools). * Adds GitHub PR and contributing templates. * Adds pytest to the repo, and adds a simple root test. * Adds versioneer * Updates setup scripts to follow the recommended CMS template. * Adds useful setup settings (Mostly from the CMS template). * Adds codecov settings (from the CMS template)
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LGTM skimming through it
Re: the lack of unit tests, is there enough code here that falls in the scope of unit tests? Or are the tests more high-level than that? I'm not familiar enough with this package to understand the testing that's needed to ensure it's working
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I think this is good to go. We might need to tweak a few things later on as we introduce more tests and learn our way around the CI, but this is a great base for any further exploration.
Also, we will want to document the CI somewhat, but that shouldn't block this PR. |
Description
This PR copies over most of the missing files from the MolSSI CMS cookiecutter template.
This largely includes:
setup.cfg
.Note:
versioneer.py
script does not need to be reviewed as it simply the standard script which ships from versioneer.lint
test is expected to fail as the code has not yet been linted, this will be handled in a separate PR.Status