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Motivation or Problem
As discussed in #2445 our build of
chemprop
is very old and does not support Python 3.11, which will prevent us from doing so as well.Description of Changes
Right now the only change is to switch the channel in
environment.yml
fromrmg
toconda-forge
forchemprop
. This will likely break other code inRMG-Py
and require additional changes afterward.Testing
I have done a
--dry-run
of resolving this environment file so that at least works, but there will be other things to fix as revealed by the CI.Notes
This PR will later need to be followed by an
upgrade
PR (as part of #2445) to move to chemprop v2, which will support Python 3.11