Benchmarks for the RMG v3.3 paper, comparing it against historical versions of RMG.
I have provided working installation files for Linux.
When I say working, I mean that you can run them today and they actually resolve an environment that allows RMG-Py to run.
The environment files included in the original code don't work anymore because new versions of many of the dependencies have been released; the environment files don't forbid conda from installing these, so they often install incompatible packages.
These are the three versions which I have set up, each of which has its own subdirectory:
2.4.1: last Python 2 release, uses Python 2.7 (commit is here on GitHub)3.0.0: first Python 3 release, uses Python 3.7 (commit is here on GitHub)3.3.x: version described in the RMG-Py 3.3 manuscript; supports Python 3.9 through 3.11, this setup uses 3.11 (todo: release this version of RMG-Py and include it here)
To actually run the install, just navigate to the corresponding subdirectory and run install.sh.
Within each version's subdirectory, there is a test.sh script that executes the tests, writing the results to both the terminal and a timestamped log file.
It will auto-magically run on all available CPUs.
Detailed results can be seen in results.ipynb, and summary results are generated using summary_stats.py.