cmelab / flowerMD

Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.
https://flowermd.readthedocs.io/en/latest/
GNU General Public License v3.0
12 stars 8 forks source link

Including testing tutorial notebooks in PR unit CI workflow #127

Closed chrisjonesBSU closed 7 months ago

chrisjonesBSU commented 7 months ago

This PR adds nbmake to environment-dev.yml and adds an action for testing the tutorial notebooks anytime a PR is made.

The addition of this workflow and use of nbmake seems to be working as intended, but some of the notebooks have errors. I'll work on fixing those in this same PR.

review-notebook-app[bot] commented 7 months ago

Check out this pull request on  ReviewNB

See visual diffs & provide feedback on Jupyter Notebooks.


Powered by ReviewNB

chrisjonesBSU commented 7 months ago

Ok, I added MacOS to the os matrix now.

Also, I made a separate jobs for testing the tutorials. I don't think we need to test the tutorials on every os + python version combo. Also, it should be set up so that the tutorial test has to be trigged manually with a comment in the PR. My thinking is that we can run that check once a PR is nearly finished, rather than having it run after every commit.

codecov[bot] commented 7 months ago

Codecov Report

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

Project coverage is 94.40%. Comparing base (9f0cda5) to head (9d5a5c7).

Additional details and impacted files [![Impacted file tree graph](https://app.codecov.io/gh/cmelab/flowerMD/pull/127/graphs/tree.svg?width=650&height=150&src=pr&token=Nxu5waDcn3&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=cmelab)](https://app.codecov.io/gh/cmelab/flowerMD/pull/127?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=cmelab) ```diff @@ Coverage Diff @@ ## main #127 +/- ## ======================================= Coverage 94.40% 94.40% ======================================= Files 25 25 Lines 1840 1840 ======================================= Hits 1737 1737 Misses 103 103 ```
chrisjonesBSU commented 7 months ago

run-test-tutorials

chrisjonesBSU commented 7 months ago

run-test-tutorials

chrisjonesBSU commented 7 months ago

run-test-tutorials

chrisjonesBSU commented 7 months ago

/testtutorials

chrisjonesBSU commented 7 months ago

Hmm..I can't figure out how to trigger the pytest / test-tutorials check with a comment.

chrisjonesBSU commented 7 months ago

This discussion and this link to the documentation seem like good places to look.

chrisjonesBSU commented 7 months ago

/testtutorials

marjanalbooyeh commented 7 months ago

/testtutorials

marjanalbooyeh commented 7 months ago

/testtutorials

marjanalbooyeh commented 7 months ago

/testtutorials

marjanalbooyeh commented 7 months ago

testtutorials

marjanalbooyeh commented 7 months ago

/testtutorials

chrisjonesBSU commented 7 months ago

Ok, we're merging this as is for now. After talking with @marjanalbooyeh we are going to get a workflow set up to run test on notebooks locally or on clusters.