From e6bcafeee68db3c06f665b7798674ffc9f8d08da Mon Sep 17 00:00:00 2001 From: tlfobe Date: Wed, 28 Feb 2024 14:44:25 -0700 Subject: [PATCH] manually added rdkit to test_env --- test_env.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/test_env.yml b/test_env.yml index d32ba3d3..a823f31e 100644 --- a/test_env.yml +++ b/test_env.yml @@ -5,6 +5,7 @@ channels: dependencies: - python - pip + - rdkit - pyyaml - mbuild=0.14.2 - mdtraj