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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