From f218f15d60b6408418bb0926e9709c95066bf3ce Mon Sep 17 00:00:00 2001 From: Jackson Burns <33505528+JacksonBurns@users.noreply.github.com> Date: Mon, 16 Oct 2023 16:24:53 -0400 Subject: [PATCH] change source for descriptastorus to get an older version --- environment.yml | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/environment.yml b/environment.yml index d6036ca5041..3079b2829ca 100644 --- a/environment.yml +++ b/environment.yml @@ -14,7 +14,8 @@ # Changelog: # - May 15, 2023 Added this changelog, added inline documentation, # made dependency list more explicit (@JacksonBurns). -# - October 16, 2023 Switched RDKit and descripatastorus to conda-forge +# - October 16, 2023 Switched RDKit to conda-forge and +# descripatastorus to katanagraph # name: rmg_env channels: @@ -22,6 +23,7 @@ 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 @@ -47,11 +49,11 @@ dependencies: - conda-forge::openbabel >= 3 - conda-forge::rdkit >=2022.09.1 # requirement of chemprop - # change this to >=2.6.1 upon moving to Python 3.11+, see + # change this to >=2.6.1 from conda-forge upon moving to Python 3.11+, see # https://github.com/chemprop/chemprop/issues/428 for why # TL;DR: scipy introduced incompatible API changes with 2.6.1+ of # descriptastorus - - conda-forge::descriptastorus <2.6.1 + - katanagraph::descriptastorus # general-purpose external software tools - conda-forge::julia>=1.8.5,!=1.9.0