From 49712c5e9a204950f1e383acfa73905564b8137f Mon Sep 17 00:00:00 2001 From: Jackson Burns <33505528+JacksonBurns@users.noreply.github.com> Date: Tue, 17 Oct 2023 00:02:07 -0400 Subject: [PATCH] switch descriptastorus to use rmg channel version the rmg one is the correct amount of outdated for our use case --- environment.yml | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/environment.yml b/environment.yml index 3079b2829ca..c15bd5bae8b 100644 --- a/environment.yml +++ b/environment.yml @@ -15,7 +15,7 @@ # - 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: @@ -23,7 +23,6 @@ channels: - 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 @@ -53,7 +52,7 @@ dependencies: # 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