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Limit cclib to sub 2 pending large api changes
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JacksonBurns committed Apr 17, 2024
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# made dependency list more explicit (@JacksonBurns).
# - October 16, 2023 Switched RDKit and descripatastorus to conda-forge,
# moved diffeqpy to pip and (temporarily) removed chemprop
# - April 17, 2024 Limit versions of cclib at advice of maintainers.
#
name: rmg_env
channels:
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- coolprop
- cantera::cantera=2.6
- conda-forge::mopac
- conda-forge::cclib >=1.6.3,<1.8.0
# see https://github.com/ReactionMechanismGenerator/RMG-Py/pull/2639#issuecomment-2050292972
- conda-forge::cclib >=1.6.3,<1.8.0,<2
- conda-forge::openbabel >= 3
- conda-forge::rdkit >=2022.09.1

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