diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml
index d619c9bac..cbe812412 100644
--- a/.ci_support/environment.yml
+++ b/.ci_support/environment.yml
@@ -14,7 +14,7 @@ dependencies:
 - plotly =5.23.0
 - pymatgen =2024.8.9
 - pyscal3 =3.2.7
-- pyxtal =0.6.7
+- pyxtal =1.0.0
 - scikit-learn =1.5.1
 - scipy =1.14.0
 - spglib =2.5.0
diff --git a/pyproject.toml b/pyproject.toml
index e4a617b0e..3d4c7bb56 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -55,7 +55,7 @@ phonopy = [
     "phonopy==2.26.6",
     "spglib==2.5.0",
 ]
-pyxtal = ["pyxtal==0.6.7"]
+pyxtal = ["pyxtal==1.0.0"]
 
 [tool.setuptools.packages.find]
 include = ["structuretoolkit*"]