From 2e0d066488adbd4d53234579ee1d1f7ac4cfd3d0 Mon Sep 17 00:00:00 2001 From: Jackson Burns <33505528+JacksonBurns@users.noreply.github.com> Date: Wed, 17 Apr 2024 09:33:15 -0400 Subject: [PATCH] Limit cclib to sub 2 pending large api changes see https://github.com/ReactionMechanismGenerator/RMG-Py/pull/2639#issuecomment-2050292972 --- environment.yml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/environment.yml b/environment.yml index 64df68a1c2d..a177687380d 100644 --- a/environment.yml +++ b/environment.yml @@ -16,6 +16,7 @@ # 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: @@ -44,7 +45,8 @@ dependencies: - 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