518ea17046c4a6e02891b415c55b494afa53bc84,qcengine/programs/mp2d.py,MP2DExecutor,get_version,#MP2DExecutor#,48

Before Change

        return which("mp2d", return_bool=True)

    def get_version(self) -> str:
        if not self.found():
            raise ImportError("Could not find MP2D in the shell path.")
        // Note: anything below v3.2.1 will return the help menu here. but that"s fine as version compare evals to False.
        command = [which("mp2d"), "-version"]
        import subprocess
        proc = subprocess.run(command, stdout=subprocess.PIPE)
        candidate_version = proc.stdout.decode("utf-8").strip()

After Change

            return is_found

    def get_version(self) -> str:
        self.found(raise_error=True)

        // Note: no version at present. Need to get Chandler to set one up
        //command = [which("mp2d"), "-version"]
        //proc = subprocess.run(command, stdout=subprocess.PIPE)

Instances