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further which patching for py312 #329

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merged 3 commits into from
Oct 26, 2023
Merged

further which patching for py312 #329

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9e3da38
Update importing.py
loriab Oct 25, 2023
ba9592e
Update importing.py
loriab Oct 25, 2023
a9f0218
Update changelog.rst
loriab Oct 26, 2023
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11 changes: 10 additions & 1 deletion docs/changelog.rst
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
Changelog
=========

.. X.Y.0 / 2023-MM-DD
.. X.Y.0 / 2023-MM-DD (Unreleased)
.. -------------------
..
.. Breaking Changes
Expand All @@ -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
-------------------

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8 changes: 5 additions & 3 deletions qcelemental/util/importing.py
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Expand Up @@ -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 = ""
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