From 3a87cf652ffe8195598615b0f6f36ec54a906ccf Mon Sep 17 00:00:00 2001
From: "pre-commit-ci[bot]"
 <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Date: Wed, 25 Sep 2024 07:31:22 +0000
Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci
---
 openfe_gromacs/protocols/gromacs_md/md_methods.py | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/openfe_gromacs/protocols/gromacs_md/md_methods.py b/openfe_gromacs/protocols/gromacs_md/md_methods.py
index 8a236b2..99b6b61 100644
--- a/openfe_gromacs/protocols/gromacs_md/md_methods.py
+++ b/openfe_gromacs/protocols/gromacs_md/md_methods.py
@@ -15,10 +15,10 @@
 import pathlib
 import subprocess
 import uuid
+import warnings
 from collections import defaultdict
 from collections.abc import Iterable
 from typing import Any
-import warnings
 
 import gmxapi as gmx
 import gufe
@@ -796,11 +796,12 @@ def _create_interchange(self, settings, components, shared_basepath):
         """
         # Set the environment variable for using the experimental interchange
         # functionality `from_openmm` and raise a warning
-        os.environ['INTERCHANGE_EXPERIMENTAL'] = "1"
+        os.environ["INTERCHANGE_EXPERIMENTAL"] = "1"
         war = (
             "Environment variable INTERCHANGE_EXPERIMENTAL=1 is set for using "
             "the interchange functionality 'from_openmm' which is not well "
-            "tested yet.")
+            "tested yet."
+        )
         warnings.warn(war)
         # Create the stateA system
         # Create a dictionary of OFFMol for each SMC for bookkeeping