Merge pull request #618 from pyiron/fix_pacemaker

change np.int to np.int64 to fix pacemaker job with numpy >=1.24
pyiron · Mar 21, 2023 · 69eee71 · 69eee71
2 parents 10c9a65 + cafa60e
commit 69eee71
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/pyiron_contrib/atomistics/pacemaker/job.py b/pyiron_contrib/atomistics/pacemaker/job.py
@@ -287,7 +287,7 @@ def collect_output(self):
         predicted_data_fs.add_array('energy', dtype=np.float64, shape=(), per='chunk')
         predicted_data_fs.add_array('energy_true', dtype=np.float64, shape=(), per='chunk')
 
-        predicted_data_fs.add_array('number_of_atoms', dtype=np.int, shape=(), per='chunk')
+        predicted_data_fs.add_array('number_of_atoms', dtype=np.int64, shape=(), per='chunk')
 
         predicted_data_fs.add_array('forces', dtype=np.float64, shape=(3,), per='element')
         predicted_data_fs.add_array('forces_true', dtype=np.float64, shape=(3,), per='element')