volkamerlab / opencadd

A Python library for structural cheminformatics
https://opencadd.readthedocs.io
MIT License
89 stars 18 forks source link

Check availability of theseus/mmligner executables #99

Closed dominiquesydow closed 2 years ago

dominiquesydow commented 2 years ago

Description

We don't have Windows versions for theseus and mmligner as of now, thus currently no working Windows opencadd version.

Our workaround suggested by @jaimergp: Add safety checks for these packages (incl. informative text for our users). With such a workaround we will be able to offer this package for Windows, too (without functionality for the bits that need theseus and mmligner though). If these packages will be available in the future, the respective bits in opencadd will work out-of-the-box, too.

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Status

codecov-commenter commented 2 years ago

Codecov Report

Merging #99 (d18ebdd) into master (88654c6) will decrease coverage by 0.35%. The diff coverage is 82.35%.