Remove pyxtal wrapper (#405)

This lives now directly in the assyst package >0.8.1

Co-authored-by: Jan Janssen <jan-janssen@users.noreply.github.com>

Author: pmrv

.ci_support/environment-old.yml

@@ -10,10 +10,9 @@ dependencies:
 - plotly =4.14.3
 - pymatgen =2022.2.1
 - pyscal3 =3.2.5
-- pyxtal =0.5.5
 - scikit-learn =1.2.1
 - scipy =1.9.3
 - spglib =1.16.5
 - sqsgenerator =0.2
 - hatchling =1.27.0
-- hatch-vcs =0.4.0
+- hatch-vcs =0.4.0

.ci_support/environment.yml

@@ -14,7 +14,6 @@ dependencies:
 - plotly =6.3.1
 - pymatgen =2025.6.14
 - pyscal3 =3.3.0
-- pyxtal =1.1.1
 - scikit-learn =1.7.2
 - scipy =1.16.2
 - spglib =2.6.0

README.md

@@ -48,7 +48,6 @@ stk.plot3d(structure)
 * `stk.build.high_index_surface()`
 * `stk.build.get_high_index_surface_info()`
 * `stk.build.sqs_structures()`
-* `stk.build.pyxtal()`
 * `stk.build.B2()`
 * `stk.build.C14()`
 * `stk.build.C15()`

pyproject.toml

@@ -56,7 +56,6 @@ phonopy = [
     "phonopy==2.43.2",
     "spglib==2.6.0",
 ]
-pyxtal = ["pyxtal==1.1.1"]
 
 [tool.ruff]
 exclude = [".ci_support", "tests", "setup.py", "_version.py"]

structuretoolkit/build/__init__.py

@@ -1,7 +1,6 @@
 from structuretoolkit.build.aimsgb import get_grainboundary_info, grainboundary
 from structuretoolkit.build.compound import B2, C14, C15, C36, D03
 from structuretoolkit.build.mesh import create_mesh
-from structuretoolkit.build.random import pyxtal
 from structuretoolkit.build.sqs import sqs_structures
 from structuretoolkit.build.surface import (
     get_high_index_surface_info,
@@ -17,7 +16,6 @@
     "C36",
     "D03",
     "create_mesh",
-    "pyxtal",
     "sqs_structures",
     "get_high_index_surface_info",
     "high_index_surface",