`environment.yml` Unblocking Python 3.11 - rdkit to conda-forge channel, remove chemprop for now#2553

Merged

hwpang merged 15 commits intoReactionMechanismGenerator:mainfrom

JacksonBurns:rdkit-conda-forge

Mar 13, 2024

Commits on Mar 6, 2024

switch rdkit to the conda-forge channel
JacksonBurns
committed
Update RDKit version to >=2022.09.1

xiaoruiDong
authored and
JacksonBurns
committed
Update the ref inchi used in translatorTest for ch2o2

xiaoruiDong
authored and
JacksonBurns
committed
Update molecule and species object inchi conversion to enable backend

xiaoruiDong
authored and
JacksonBurns
committed
Skip the unit test for failure inchi translation

xiaoruiDong
authored and
JacksonBurns
committed
remove rdkit logger before making the checkModels logger
JacksonBurns
committed
explicitly pull descriptastorus from conda-forge instead of rmg
JacksonBurns
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update changelog, limit descriptastorus version for scipy compatibility
JacksonBurns
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temporarily remove `chemprop` support completely
JacksonBurns
committed
remove descriptastorus since chemprop is gone
JacksonBurns
committed

Commits on Mar 7, 2024

Commits on Mar 13, 2024