Make lammps test optional

pyiron · Nov 13, 2023 · 95a24cc · 95a24cc
1 parent 7f372ba
commit 95a24cc
Showing 1 changed file with 12 additions and 3 deletions.
diff --git a/tests/test_optimize_positions_lammps.py b/tests/test_optimize_positions_lammps.py
@@ -5,11 +5,20 @@
 import unittest
 
 from atomistics.workflows.structure_optimization.workflow import optimize_positions
-from atomistics.calculators.lammps import (
-    evaluate_with_lammps, get_potential_dataframe
-)
 
+try:
+    from atomistics.calculators.lammps import (
+        evaluate_with_lammps, get_potential_dataframe
+    )
+
+    skip_lammps_test = False
+except ImportError:
+    skip_lammps_test = True
 
+
+@unittest.skipIf(
+    skip_lammps_test, "LAMMPS is not installed, so the LAMMPS tests are skipped."
+)
 class TestOptimizePositionsLAMMPS(unittest.TestCase):
     def test_optimize_positions(self):
         potential = '1999--Mishin-Y--Al--LAMMPS--ipr1'