Update _binCluster for compatiability scipy

Updated argument name in cKDTree.query used in function _binCluster In scipy 1.9.0 scipy.spatial.cKDtree.query argument "n_jobs" became "workers"
RedesignScience · Nov 11, 2022 · db14fed · db14fed
1 parent 57a420f
commit db14fed
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/alphaspace2/functions.py b/alphaspace2/functions.py
@@ -515,7 +515,7 @@ def _binCluster(coords, bin_size, bin_buffer_ratio=0.01, distance=5.4):
     label = fcluster(zmat, distance, criterion='distance') - 1
 
     tree = cKDTree(non_zero_cube_coord)
-    dist, ind = tree.query(coords, 1, n_jobs=1)
+    dist, ind = tree.query(coords, 1, workers=1)
 
     pocket_label = label[ind]