From bf2554805cfa732e243d6769b04047ba49629797 Mon Sep 17 00:00:00 2001
From: Jeffrey Wagner <jwagnerjpl@gmail.com>
Date: Wed, 13 Nov 2024 08:01:53 -0800
Subject: [PATCH] see if gbsa tests pass using OpenMM 8.1

---
 .github/workflows/CI.yml          | 2 +-
 devtools/conda-envs/test_env.yaml | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml
index d4141172e..38a82f23a 100644
--- a/.github/workflows/CI.yml
+++ b/.github/workflows/CI.yml
@@ -155,7 +155,7 @@ jobs:
           PYTEST_ARGS+=" --runslow"
           #fi
 
-          python -m pytest --durations=20 $PYTEST_ARGS $COV
+          python -m pytest --durations=20 $PYTEST_ARGS $COV -k "test_freesolv_gbsa_energies"
 
       - name: Run code snippets in docs
         if: ${{ matrix.rdkit == true && matrix.openeye == true }}
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index ecc2fa9b9..efca4a510 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -12,7 +12,7 @@ dependencies:
   - cached-property
   - xmltodict
   - python-constraint
-  - openmm >=7.6
+  - openmm =8.1
   - openff-forcefields >=2023.05.1
   - smirnoff99Frosst
   - openff-units =0.2.0