Update pyscf version in env file

briling · briling · commit 7fd9f97f93c5 · 2024-11-29T12:43:15.000+01:00
diff --git a/environment.yml b/environment.yml
@@ -42,7 +42,7 @@ dependencies:
     - pluggy==1.0.0
     - py==1.11.0
     - pyparsing==3.0.6
-    - pyscf==2.0.1
+    - pyscf==2.2.0
     - pytest==6.2.5
     - scipy==1.7.3
     - toml==0.10.2
