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switch descriptastorus to use rmg channel version
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the rmg one is the correct amount of outdated for our use case
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JacksonBurns authored Oct 17, 2023
1 parent f218f15 commit 49712c5
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5 changes: 2 additions & 3 deletions environment.yml
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# - May 15, 2023 Added this changelog, added inline documentation,
# made dependency list more explicit (@JacksonBurns).
# - October 16, 2023 Switched RDKit to conda-forge and
# descripatastorus to katanagraph
# descripatastorus to explicitly RMG channel
#
name: rmg_env
channels:
- defaults
- rmg
- conda-forge
- cantera
- katanagraph
dependencies:
# System-level dependencies - we could install these at the OS level
# but by installing them in the conda environment we get better control
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# https://github.com/chemprop/chemprop/issues/428 for why
# TL;DR: scipy introduced incompatible API changes with 2.6.1+ of
# descriptastorus
- katanagraph::descriptastorus
- rmg::descriptastorus

# general-purpose external software tools
- conda-forge::julia>=1.8.5,!=1.9.0
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