search

volkamerlab / teachopencadd

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
https://projects.volkamerlab.org/teachopencadd
Creative Commons Attribution 4.0 International
713 stars 197 forks source link

CI: New pandas formatting? #329

Closed dominiquesydow closed 1 year ago

dominiquesydow commented 1 year ago

CI shows a lot of pandas diffs like this:

  '            ...    220.224  ' == '            ...    220.224  '
  Skipping 65 identical leading characters in diff, use -v to show
  Skipping 720 identical trailing characters in diff, use -v to show
  -     name   
  ?           ^
  +     name  \
  ?           ^
  - 0  CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4...          Doxycycline  \
  ?                                                                            ^
  + 0  CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4...          Doxycycline   
  ?                                                                            ^
    6  CC1(C

https://github.com/volkamerlab/teachopencadd/actions/runs/4654071089/jobs/8235487168#step:8:153

Looks like an updated pandas formatting but have not looked into this at all, yet, just reporting this as a reminder for us. @AndreaVolkamer, is anyone in your group free to take a look at what is going on here?

AndreaVolkamer commented 1 year ago

@mbackenkoehler can you please also have a look at this? Solving both issues should turn the CI light green again.