GMPavanLab / Swarm-CG

Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
https://pubs.acs.org/doi/10.1021/acsomega.0c05469
MIT License
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First implementation end2end #29

Closed giovannidoni closed 3 years ago

giovannidoni commented 3 years ago

Setup end2end tests. Now, unit tests are executed and if all pass the end2end tests are executed on a docker base image, where the code is first installed, then the command in itests/entrypoint.sh are executed.

CharlyEmpereurmot commented 3 years ago

Very nice :)