Skip to content

Commit

Permalink
Use sys.executable over explicit call to python (#451)
Browse files Browse the repository at this point in the history
* Use sys.executable over explicit call to python which may not be available

* Update changelog.rst

---------

Co-authored-by: Lori A. Burns <[email protected]>
  • Loading branch information
susilehtola and loriab authored Jan 14, 2025
1 parent b56a2aa commit 3a01eb2
Show file tree
Hide file tree
Showing 2 changed files with 2 additions and 1 deletion.
1 change: 1 addition & 0 deletions docs/source/changelog.rst
Original file line number Diff line number Diff line change
Expand Up @@ -44,6 +44,7 @@ Enhancements

Bug Fixes
+++++++++
- (:pr:`451`, :issue:`450`) Psi4 - Fixes bug in Psi4 detection when command `python` not available. @susilehtola, @topazus

Misc.
+++++
Expand Down
2 changes: 1 addition & 1 deletion qcengine/programs/psi4.py
Original file line number Diff line number Diff line change
Expand Up @@ -73,7 +73,7 @@ def found(raise_error: bool = False) -> bool:
psiapi = which_import("psi4", return_bool=True)

if psiapi and not psithon:
with popen(["python", "-c", "import psi4; print(psi4.executable)"]) as exc:
with popen([sys.executable, "-c", "import psi4; print(psi4.executable)"]) as exc:
exc["proc"].wait(timeout=30)
so, se, rc = exc["stdout"].strip(), exc["stderr"], exc["proc"].returncode
error_msg = f" In particular, psi4 module found but unable to load psi4 command into PATH. stdout: {so}, stderr: {se}"
Expand Down

0 comments on commit 3a01eb2

Please sign in to comment.