update shell command

jan-janssen · jan-janssen · commit a3a8e01fd752 · 2023-09-08T16:29:08.000+02:00
diff --git a/tests/test_elastic_cp2k.py b/tests/test_elastic_cp2k.py
@@ -9,7 +9,7 @@
 from atomistics.workflows.elastic.workflow import ElasticMatrixWorkflow
 
 
-cp2k_command = "cp2k_shell.sopt"
+cp2k_command = "cp2k_shell.psmp"
 if shutil.which(cp2k_command) is not None:
     skip_cp2k_test = False
 else:
diff --git a/tests/test_evcurve_cp2k.py b/tests/test_evcurve_cp2k.py
@@ -9,7 +9,7 @@
 from atomistics.workflows.evcurve.workflow import EnergyVolumeCurveWorkflow
 
 
-cp2k_command = "cp2k_shell.sopt"
+cp2k_command = "cp2k_shell.psmp"
 if shutil.which(cp2k_command) is not None:
     skip_cp2k_test = False
 else:
diff --git a/tests/test_phonons_cp2k.py b/tests/test_phonons_cp2k.py
@@ -9,7 +9,7 @@
 from atomistics.workflows.phonons.workflow import PhonopyWorkflow
 
 
-cp2k_command = "cp2k_shell.sopt"
+cp2k_command = "cp2k_shell.psmp"
 if shutil.which(cp2k_command) is not None:
     skip_cp2k_test = False
 else:
