How to use the qcfractal.extras.get_information function in qcfractal

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github MolSSI / QCFractal / qcfractal / __init__.py View on Github external
from . import interface

# Handle versioneer
from .extras import get_information

# Handle top level object imports
from .postgres_harness import PostgresHarness, TemporaryPostgres
from .queue import QueueManager
from .server import FractalServer
from .snowflake import FractalSnowflake, FractalSnowflakeHandler

# Import modules
from .storage_sockets import storage_socket_factory

__version__ = get_information("version")
__git_revision__ = get_information("git_revision")
del get_information
github MolSSI / QCFractal / qcfractal / queue / managers.py View on Github external
def _payload_template(self):
        meta = {
            **self.name_data.copy(),
            # Version info
            "qcengine_version": qcng.__version__,
            "manager_version": get_information("version"),
            # User info
            "username": self.client.username,
            # Pull info
            "programs": self.available_programs,
            "procedures": self.available_procedures,
            "tag": self.queue_tag,
            # Statistics
            "total_worker_walltime": self.statistics.total_worker_walltime,
            "total_task_walltime": self.statistics.total_task_walltime,
            "active_tasks": self.statistics.active_tasks,
            "active_cores": self.statistics.active_cores,
            "active_memory": self.statistics.active_memory,
        }

        return {"meta": meta, "data": {}}
github MolSSI / QCFractal / qcfractal / __init__.py View on Github external
from . import interface

# Handle versioneer
from .extras import get_information

# Handle top level object imports
from .postgres_harness import PostgresHarness, TemporaryPostgres
from .queue import QueueManager
from .server import FractalServer
from .snowflake import FractalSnowflake, FractalSnowflakeHandler

# Import modules
from .storage_sockets import storage_socket_factory

__version__ = get_information("version")
__git_revision__ = get_information("git_revision")
del get_information
github MolSSI / QCFractal / qcfractal / queue / managers.py View on Github external
# 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:")
            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__))
            self.logger.info("        Task Cores:  {}".format(self.cores_per_task))
            self.logger.info("        Task Mem:    {}".format(self.memory_per_task))
            self.logger.info("        Task Nodes:  {}".format(self.nodes_per_task))
github MolSSI / QCFractal / qcfractal / queue / managers.py View on Github external
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__))
            self.logger.info("        Task Cores:  {}".format(self.cores_per_task))
            self.logger.info("        Task Mem:    {}".format(self.memory_per_task))
            self.logger.info("        Scratch Dir: {}".format(self.scratch_directory))
github MolSSI / QCFractal / qcfractal / queue / managers.py View on Github external
def _payload_template(self):
        meta = {
            **self.name_data.copy(),

            # Version info
            "qcengine_version": qcng.__version__,
            "manager_version": get_information("version"),

            # User info
            "username": self.client.username,

            # Pull info
            "programs": self.available_programs,
            "procedures": self.available_procedures,
            "tag": self.queue_tag}

        return {"meta": meta, "data": {}}