Closed regro-cf-autotick-bot closed 3 years ago
Hi! This is the friendly automated conda-forge-linting service.
I just wanted to let you know that I linted all conda-recipes in your PR (recipe
) and found it was in an excellent condition.
I guess most of those extra packages come from example scripts that use rdkit in the context of other tooling, but can you confirm @greglandrum? Also, do we still need six
?
Looks to me like six
isn't needed anymore - it was vendored into rdkit.six
and even that isn't really used anymore now python 2 has been dropped.
I don't think it's necessary to include any of those other packages. Some are only required for building the docs, others are related to things in the Contrib
directory, which is not built/installed by this recipe anyway.
Looks to me like
six
isn't needed anymore - it was vendored intordkit.six
and even that isn't really used anymore now python 2 has been dropped.
Yeah, six
shouldn't be needed anymore and should just be removed completely from the RDKit. I'll deprecate it and possibly remove it for the next feature release (I have to guess what the odds are that it's being used downstream in client code).
I don't think it's necessary to include any of those other packages. Some are only required for building the docs, others are related to things in the
Contrib
directory, which is not built/installed by this recipe anyway.
Some of them - aggdraw, reportlab, matplotlib - are used in the RDKit sping interface and/or legacy drawing code. I would have guessed that there are people still using this, but given that the conda installs don't actually install them, it seems unlikely that people are using them. Others that are being used in modules which people may or may not be using:
sqlalchemy
: used in the MolDbmatplotlib
: used in the similarity maps code as well as the legacy drawing codereportlab
: used in rdkit.Dbase.DbReport
molvs
: used in the legacy molvs code that's still hanging around, we should remove thatWhat about this? We'll add:
sqlalchemy
matplotlib-base
(instead of matplotlib
so it's lighter on dependencies)reportlab
Since MolVS is legacy, going to be removed and nobody has complained so far, I'd say we shouldn't add it?
Will merge today unless somebody disagrees!
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