How to use the qcengine.list_available_procedures function in qcengine

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github MolSSI / QCFractal / qcfractal / queue / managers.py View on Github external
self.scheduler = None
        self.update_frequency = update_frequency
        self.periodic = {}
        self.active = 0
        self.exit_callbacks = []

        # Server response/stale job handling
        self.server_error_retries = server_error_retries
        self.stale_update_limit = stale_update_limit
        self._stale_updates_tracked = 0
        self._stale_payload_tracking = []
        self.n_stale_jobs = 0

        # QCEngine data
        self.available_programs = qcng.list_available_programs()
        self.available_procedures = qcng.list_available_procedures()

        self.logger.info("QueueManager:")
        self.logger.info("    Version:         {}\n".format(get_information("version")))

        if self.verbose:
            self.logger.info("    Name Information:")
            self.logger.info("        Cluster:     {}".format(self.name_data["cluster"]))
            self.logger.info("        Hostname:    {}".format(self.name_data["hostname"]))
            self.logger.info("        UUID:        {}\n".format(self.name_data["uuid"]))

        self.logger.info("    Queue Adapter:")
        self.logger.info("        {}\n".format(self.queue_adapter))

        if self.verbose:
            self.logger.info("    QCEngine:")
            self.logger.info("        Version:     {}".format(qcng.__version__))
github MolSSI / QCEngine / qcengine / cli.py View on Github external
def info_procedures():  # lgtm: [py/similar-function]
        print(">>> Procedure information")
        all_procs = list_all_procedures()
        avail_procs = list_available_procedures()
        print("Available procedures:")
        for proc_name in sorted(avail_procs):
            version = get_procedure(proc_name).get_version()
            if version is None:
                version = "???"
            print(f"{proc_name} v{version}")

        print()
        print("Other supported procedures:")
        print(" ".join(sorted(all_procs - avail_procs)))
        print()
github MolSSI / QCFractal / qcfractal / queue / managers.py View on Github external
self.scheduler = None
        self.update_frequency = update_frequency
        self.periodic = {}
        self.active = 0
        self.exit_callbacks = []

        # Server response/stale job handling
        self.server_error_retries = server_error_retries
        self.stale_update_limit = stale_update_limit
        self._stale_updates_tracked = 0
        self._stale_payload_tracking = []
        self.n_stale_jobs = 0

        # QCEngine data
        self.available_programs = qcng.list_available_programs()
        self.available_procedures = qcng.list_available_procedures()

        # Display a warning if there are non-node-parallel programs and >1 node_per_task
        if self.nodes_per_task > 1:
            for name in self.available_programs:
                program = qcng.get_program(name)
                if not program.node_parallel:
                    self.logger.warning(
                        "Program {} is not node parallel," " but manager will use >1 node per task".format(name)
                    )

        # Print out configuration
        self.logger.info("QueueManager:")
        self.logger.info("    Version:         {}\n".format(get_information("version")))

        if self.verbose:
            self.logger.info("    Name Information:")