From 22a46e0eedf0c7486bee7d9b283807d8e446e161 Mon Sep 17 00:00:00 2001
From: Matt Johnson <mjohnson541@gmail.com>
Date: Fri, 1 Mar 2024 11:35:19 -0800
Subject: [PATCH] Try forcing xtb to be 6.4.1

---
 environment.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/environment.yml b/environment.yml
index f61d4ec9..5a2d3cdf 100644
--- a/environment.yml
+++ b/environment.yml
@@ -16,7 +16,7 @@ dependencies:
   - anaconda::glpk
   - fireworks
   - jax <=0.2.28
-  - xtb >=6.4.1
+  - xtb =6.4.1
   - xtb-python >=20.2
   - rmgmolecule
   - acat