From de1335fbbb367dc2aa788651836c76b7c2743c58 Mon Sep 17 00:00:00 2001 From: Jeff Wagner Date: Wed, 2 Oct 2024 08:32:46 -0700 Subject: [PATCH] downpin away from rdkit 2024.03.6 --- devtools/conda-envs/test_env.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml index e02ccf5..38cb98e 100644 --- a/devtools/conda-envs/test_env.yaml +++ b/devtools/conda-envs/test_env.yaml @@ -14,7 +14,7 @@ dependencies: # Optional tools - ambertools - - rdkit + - rdkit =2024.03.5 # Testing - pytest