From db14fed41cde3c8c25925cf22142860f25312a88 Mon Sep 17 00:00:00 2001
From: jmcsally <93530542+jmcsally@users.noreply.github.com>
Date: Fri, 11 Nov 2022 10:40:19 -0500
Subject: [PATCH] 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"
---
 alphaspace2/functions.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/alphaspace2/functions.py b/alphaspace2/functions.py
index 97d8c12..6ae8651 100644
--- 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]