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logsdail / carmm

Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models
GNU General Public License v3.0
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Update yml files #161

Closed logsdail closed 3 months ago

logsdail commented 3 months ago

Update to run on all branches.

codecov[bot] commented 3 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 88.44%. Comparing base (ffc452f) to head (5658606).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #161 +/- ## ======================================= Coverage 88.44% 88.44% ======================================= Files 82 82 Lines 3340 3340 ======================================= Hits 2954 2954 Misses 386 386 ``` | [Flag](https://app.codecov.io/gh/logsdail/carmm/pull/161/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Andrew+Logsdail) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/logsdail/carmm/pull/161/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Andrew+Logsdail) | `88.44% <ø> (ø)` | | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Andrew+Logsdail#carryforward-flags-in-the-pull-request-comment) to find out more.

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logsdail commented 3 months ago

@ikowalec see #162 , approving this will allow us to resolve the ASE integration outside of main in a branch (and so not breaking all our code instantly)

logsdail commented 3 months ago

Thanks. I've since realised that this is unnecessary as we can just control things through pull requests. Will revert the changes to the push elements of the yaml.

We may still need to control the ASE version, however.

From: Igor Kowalec @.> Sent: 03 June 2024 09:56 To: logsdail/carmm @.> Cc: Andrew Logsdail @.>; Author @.> Subject: Re: [logsdail/carmm] Update yml files (PR #161)

External email to Cardiff University - Take care when replying/opening attachments or links. Nid ebost mewnol o Brifysgol Caerdydd yw hwn - Cymerwch ofal wrth ateb/agor atodiadau neu ddolenni.

@ikowalec approved this pull request.

That should work, but I recommend reverting to main and pull requests only once ASE 3.23 compatibility issues are resolved to avoid longer CI test queueing.

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logsdail commented 3 months ago

This now just becomes a hotfix to restrict ourselves to ASE v3.22 until code is updated.