further which patching for py312 (#329)

* Update importing.py

* Update importing.py

* Update changelog.rst

Author: loriab

docs/changelog.rst

@@ -1,7 +1,7 @@
 Changelog
 =========
 
-.. X.Y.0 / 2023-MM-DD
+.. X.Y.0 / 2023-MM-DD (Unreleased)
 .. -------------------
 ..
 .. Breaking Changes
@@ -20,6 +20,15 @@ Changelog
 .. +++++
 
 
+0.27.1 / 2023-10-26 (Unreleased)
+-------------------
+
+Bug Fixes
++++++++++
+- (:pr:`329`) Continues :pr:`328` adding ``util.which`` workaround for only python v3.12.0 and psi4
+  (can be expanded) to correctly select among cmd, cmd.bat, cmd.exe.
+
+
 0.27.0 / 2023-10-24
 -------------------
 

qcelemental/util/importing.py

@@ -99,12 +99,14 @@ def which(
         lenv = {"PATH": os.pathsep.join([os.path.abspath(x) for x in env.split(os.pathsep) if x != ""])}
     lenv = {k: v for k, v in lenv.items() if v is not None}
 
+    ans = shutil.which(command, mode=os.F_OK | os.X_OK, path=lenv["PATH"])
+
     if sys.platform == "win32" and sys.version_info >= (3, 12, 0) and sys.version_info < (3, 12, 1):
         # https://github.com/python/cpython/issues/109590
         if command == "psi4":
-            command = "psi4.bat"
-
-    ans = shutil.which(command, mode=os.F_OK | os.X_OK, path=lenv["PATH"])
+            ans = shutil.which("psi4.exe", mode=os.F_OK | os.X_OK, path=lenv["PATH"])
+            if ans is None:
+                ans = shutil.which("psi4.bat", mode=os.F_OK | os.X_OK, path=lenv["PATH"])
 
     # secondary check, see https://github.com/MolSSI/QCEngine/issues/292
     local_raise_msg = ""