Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Better error message when RDKit or OpenBabel are not installed #81

Merged
merged 3 commits into from
Sep 6, 2023
Merged

Conversation

RMeli
Copy link
Owner

@RMeli RMeli commented Sep 6, 2023

Description

When using spyrmsd as a standalone tool, RDKit or OpenBabel need to be manually installed, since they are optional dependencies (if spyrmsd is used as a library).

This PR adds an error message if neither OpenBabel nor RDKit can be imported. Close #79 and close #80.

Checklist

  • Documentation
  • Changelog

@codecov
Copy link

codecov bot commented Sep 6, 2023

Codecov Report

Merging #81 (2a57c8d) into develop (74d3049) will not change coverage.
Report is 6 commits behind head on develop.
The diff coverage is n/a.

@RMeli RMeli merged commit 0ed065f into develop Sep 6, 2023
60 of 61 checks passed
@RMeli RMeli deleted the msg branch September 6, 2023 20:55
@RMeli RMeli mentioned this pull request Sep 8, 2023
3 tasks
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
1 participant