Rosetta Evolutionary Ligand (REvoLd) (#303)
This PR aims to include the newly developed application REvoLd into Rosetta.
REvoLd preprint: https://arxiv.org/abs/2404.17329
The algorithm optimizes small molecule ligands within combinatorial libraries like Enamine REAL. Most code changes are self enclosed and do not affect any functionality outside of the application. The only exception are changes to cmake compile directives for mpi which were broken.
A guide on how to run REvoLd is available here: https://docs.rosettacommons.org/docs/wiki/revold
Unit and integration test run locally and passed all.
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Co-authored-by: Paul Eisenhuth <eisenhuth@informatik.uni-leipzig.de>