From d26adc352be3edd6e5645249ba041e427ae1fd29 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Thu, 12 Feb 2026 15:55:24 -0700
Subject: [PATCH] test to see if new number solver works in openfe

---
 environment.yml                                      | 2 ++
 openfe/protocols/openmm_utils/multistate_analysis.py | 2 +-
 2 files changed, 3 insertions(+), 1 deletion(-)

diff --git a/environment.yml b/environment.yml
index 3a536497d..21ad66a6b 100644
--- a/environment.yml
+++ b/environment.yml
@@ -11,6 +11,7 @@ dependencies:
   - konnektor~=0.2.0
   - lomap2>=3.2.1
   - networkx
+  - numba
   - numpy<2.3
   - openfe-analysis>=0.3.1
   - openff-interchange-base
@@ -53,3 +54,4 @@ dependencies:
   - threadpoolctl
   - pip:
     - git+https://github.com/OpenFreeEnergy/gufe@main
+    - git+https://github.com/choderalab/pymbar.git@ed40ec3bbef03bb08938ad1a74d459b0d1ab81f7
diff --git a/openfe/protocols/openmm_utils/multistate_analysis.py b/openfe/protocols/openmm_utils/multistate_analysis.py
index 6f1d785d2..19803a283 100644
--- a/openfe/protocols/openmm_utils/multistate_analysis.py
+++ b/openfe/protocols/openmm_utils/multistate_analysis.py
@@ -241,7 +241,7 @@ def _get_free_energy(
         mbar = MBAR(
             u_ln,
             N_l,
-            solver_protocol="robust",
+            solver_protocol="numba",
             n_bootstraps=bootstraps,
             bootstrap_solver_protocol="robust",
         )