license considerations

[orbeckst]

The code imports MDAnalysis

RDKitConverter-benchmark/scripts/utils.py

Lines 6 to 7 in 7cc1da5

	from MDAnalysis.converters.RDKit import (_infer_bo_and_charges,
	_standardize_patterns)

Because MDAnalysis is currently licensed under GPL v2+, any code importing MDAnalysis inherits the copyleft. Therefore, the code cannot be licensed under MIT.

We are currently considering relicensing of MDAnalysis to a more permissive license but until this is done, at least my opinion is that at least the benchmark python code (anything that directly or indirectly imports MDAnalysis) should be GPL v2+.

@MDAnalysis/coredevs please feel free to chime in.

[IAlibay]

Until we relicense there's no choice, has to be GPL, once we've relicensed I have no issues what license this should be. Indeed if we consider this to be "an example of how to use MDA", then it really should eventually become MIT or BSD so we don't accidentally block users from doing things.

edit: obviously Cedric should have the real call on what the license should be here.

[cbouy]

Oh right, forgot about that! Is there an opened issue about this on the mdanalysis repo?

Once the relicensing is done I don't really have a strong preference between MIT or BSD or Apache