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duartegroup / autodE

automated reaction profile generation
https://duartegroup.github.io/autodE/
MIT License
166 stars 51 forks source link

update docs #229

Closed shoubhikraj closed 1 year ago

shoubhikraj commented 1 year ago

Update docs for windows install and for temporary_config() context manager.

Related to #227

codecov[bot] commented 1 year ago

Codecov Report

:exclamation: No coverage uploaded for pull request base (v1.4.0@23af779). Click here to learn what that means. The diff coverage is n/a.

@@            Coverage Diff            @@
##             v1.4.0     #229   +/-   ##
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  Coverage          ?   97.22%           
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  Files             ?      195           
  Lines             ?    20323           
  Branches          ?        0           
=========================================
  Hits              ?    19760           
  Misses            ?      563           
  Partials          ?        0
Flag Coverage Δ
unittests 97.22% <0.00%> (?)

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shoubhikraj commented 1 year ago

@t-young31 Could you please set the CI tests to rerun? I think something went wrong on this run as the error is in the install stage (and no install files were modified)

t-young31 commented 1 year ago

looks like the pyqt Windows conda binary is mangled somehow 😞 https://github.com/duartegroup/autodE/actions/runs/3933707055/jobs/6842810681#step:4:2449

shoubhikraj commented 1 year ago

looks like the pyqt Windows conda binary is mangled somehow 😞 https://github.com/duartegroup/autodE/actions/runs/3933707055/jobs/6842810681#step:4:2449

Hmm, that's odd because the tests passed successfully on my other PR for the windows compatibility, and that was just a few days ago. I don't think there is any solution to this as it's a conda issue, but if it persists then future PR's after 1.4.0 would be affected 😕 . Happy for you to merge the PR.