Add Some Work Flows as Tests?

[umesh-timalsina]

Recently, I have seen a lot of PRs and examples related to different workflows around our ecosystem. What would be nice to have some tests that replicate them. pytest-bdd comes to mind.

[mattwthompson]

This would be a nice suite of tests. Only a few groups (if that many, I'm not sure I can name more than one) in molecular simulation do integration testing. Some concerns I have from the last time I thought about this. Something like Alex's engine comparison module might be useful for standardizing what we expect out of an mbuild/mbuild+foyer/etc. workflow. https://github.com/ahy3nz/coMMParE

[uppittu11]

To add to this, we could add testing the mbuild examples (https://github.com/mosdef-hub/mbuild-examples) as a status check for PRs.

[daico007]

Probably more relevant on the GMSO side