fix: exclude VASP data generator from pytest

tests/fp/data.vasp.kp.gf/make_kp_data.py

@@ -0,0 +1,33 @@
+#!/usr/bin/env python3
+"""Regenerate randomized VASP k-point test data on explicit invocation."""
+
+import os
+
+import dpdata
+import numpy as np
+from ase.geometry import (
+    cellpar_to_cell,
+)
+
+
+def make_one(out_dir):
+    """Generate one randomized POSCAR fixture in *out_dir*."""
+    # [0.5, 1)
+    [aa, bb, cc] = np.random.random(3) * 0.5 + 0.5
+    # [1, 179)
+    [alpha, beta, gamma] = np.random.random(3) * (178 / 180) + 1
+    cell = cellpar_to_cell([aa, bb, cc, alpha, beta, gamma])
+    system = dpdata.System("POSCAR")
+    system["cells"][0] = cell
+    os.makedirs(out_dir, exist_ok=True)
+    system.to_vasp_poscar(os.path.join(out_dir, "POSCAR"))
+
+
+def main(ntest=30):
+    """Regenerate all randomized fixture directories."""
+    for index in range(ntest):
+        make_one("test.%03d" % index)
+
+
+if __name__ == "__main__":
+    main()