0003e408505b4634961af84c1bd0f1503fe92f95,qcengine/programs/qchem.py,QChemHarness,get_version,#QChemHarness#,61

Before Change

        which_prog = which("qchem")
        if which_prog not in self.version_cache:
            with popen([which_prog, "-h"], popen_kwargs={"env": self._get_qc_path()}) as exc:
                exc["proc"].wait(timeout=15)

            if "QC not defined" in exc["stdout"]:
                return safe_version("0.0.0")

After Change

        self.found(raise_error=True)

        // Get the node configuration
        config = get_config()

        which_prog = which("qchem")
        if which_prog not in self.version_cache:
            success, exc = execute(
                [which_prog, "v.in"],
                {"v.in": "$rem\n"},
                scratch_directory=config.scratch_directory,
                environment=self._get_qc_path(),
                timeout=15,
            )

Instances