* updates to cli from_json
* replacing dump instances with to_json
* Remove unnecessary imports of JSON_HANDLER
* addressing review
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Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Co-authored-by: David L. Dotson <dotsdl@gmail.com>
* Add init files + recursive-includes
* Add init to storage
* Add CI test for package build
* add verbosity to pytest calls
Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
* update manifest
* try something out
* override defined benzene_modifications
* limit gufe imports
* fix gufe imports
* more imports
* how about this?
* minimum fix
* how about pulling all the fixtures directly into openfe?
* make package test a cron job
* separate out the yaml files
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Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
* quickrun should error if a unit errors
* Fix incorrect naming
* steps toward fixing error handling
* I think I'm reasonably happy with this.
* update tests to match new output dict
* cleanup
* Update write_transformation_json.py
Co-authored-by: Richard Gowers <richardjgowers@gmail.com>
