Hi Greg, Awesome news about rdkit_toolkit_version(), that is precisely what I think is necessary as I can always log into the Aurora instance in question and call that command if necessary. No need for relying on flaky docs upgrades.
Big Thank You! Brian On Sun, Jun 6, 2021 at 9:07 PM Greg Landrum <greg.land...@gmail.com> wrote: > Hi Brian, > > On Mon, Jun 7, 2021 at 4:36 AM Brian Cole <col...@gmail.com> wrote: > >> This is a bit more of a question for AWS themselves, though I believe the >> RDKit build for the Postgres extension can be improved as well. >> >> The AWS documentation states, “RDKit extension version 3.8.” >> >> https://docs.aws.amazon.com/AmazonRDS/latest/AuroraUserGuide/AuroraPostgreSQL.Updates.20180305.html >> >> However, it doesn’t appear like that 3.8 version number has been bumped >> in a few RDKit versions. When is that version supposed to be bumped? Or am >> I missing some other way to find the RDKit version in the Postgres >> extension? >> > > A large part of the problem here is that we're not very good about > providing version information for the cartridge. Any changes here require > manual updates and I normally forget to either make those changes myself or > check that they've been done while reviewing PRs. > > One thing which may be at least a little bit more up-to-date is the output > of the rdkit_version command in the cartridge itself: > chembl_28=# select rdkit_version(); > rdkit_version > --------------- > 0.76.0 > (1 row) > > It looks like that was bumped from 0.74 to 0.75 in 2020.3 The bump to 0.76 > will be in the 2021.09 release > > What I think will be most useful, but which won't be available until the > 2021.09 release, is the rdkit_toolkit_version() command. This will show you > the actual rdkit verison in the back and has the advantage that it's > autotomatically updated. > > -greg > > >
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