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Update Project Structure to MolSSI CMS Template #41

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merged 2 commits into from
Apr 28, 2020

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SimonBoothroyd
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@SimonBoothroyd SimonBoothroyd commented Apr 24, 2020

Description

This PR copies over most of the missing files from the MolSSI CMS cookiecutter template.

This largely includes:

  • Adding GitHub Actions workflows for automated CI and linting, and the required helper scripts (devtools).
  • Adding GitHub PR and contributing templates.
  • Adding pytest to the repo, and adds a simple root test.
  • Adding versioneer.
  • Updating the setup scripts to follow the recommended CMS template.
  • Adding useful setup settings to setup.cfg.
  • Adding codecov settings.

Note:

  • The versioneer.py script does not need to be reviewed as it simply the standard script which ships from versioneer.
  • The lint test is expected to fail as the code has not yet been linted, this will be handled in a separate PR.

Status

  • Ready to go

* 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)
mattwthompson
mattwthompson previously approved these changes Apr 24, 2020
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@mattwthompson mattwthompson left a comment

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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

@ptmerz ptmerz mentioned this pull request Apr 28, 2020
@ptmerz ptmerz linked an issue Apr 28, 2020 that may be closed by this pull request
@mattwthompson mattwthompson mentioned this pull request Apr 28, 2020
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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.

@ptmerz ptmerz removed the request for review from mrshirts April 28, 2020 19:22
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ptmerz commented Apr 28, 2020

Also, we will want to document the CI somewhat, but that shouldn't block this PR.

@SimonBoothroyd SimonBoothroyd merged commit f8061b4 into master Apr 28, 2020
@SimonBoothroyd SimonBoothroyd deleted the update_to_cookiecutter branch April 28, 2020 19:53
@ptmerz ptmerz mentioned this pull request Dec 14, 2020
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Set up CI trough Github actions
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