From 0eb204ee367895b38d40d79d97cef61114fe5387 Mon Sep 17 00:00:00 2001 From: "Matthew W. Thompson" Date: Wed, 24 Apr 2024 08:37:53 -0500 Subject: [PATCH] Bump toolkit version --- devtools/conda-envs/full-stack.yaml | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/devtools/conda-envs/full-stack.yaml b/devtools/conda-envs/full-stack.yaml index 1a88675..b1277fd 100644 --- a/devtools/conda-envs/full-stack.yaml +++ b/devtools/conda-envs/full-stack.yaml @@ -5,7 +5,7 @@ channels: dependencies: - python - pip - - openff-toolkit =0.15 + - openff-toolkit ~=0.16 - openff-fragmenter - openff-interchange =0.3 - pymbar @@ -31,4 +31,5 @@ dependencies: - openff-qcsubmit ~=0.50 - qcarchivetesting - - h5py \ No newline at end of file + - h5py +