Pin pyscf verion

valence-labs · Sep 26, 2024 · e3962df · e3962df
1 parent 24146da
commit e3962df
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/pyproject.toml b/pyproject.toml
@@ -26,7 +26,7 @@ dependencies = [
   "pandas",
   "periodictable",
   "pyarrow",
-  "pyscf",
+  "pyscf==2.6.2",
   "py3Dmol",
   "basis_set_exchange",
   "sympy",