# -*- coding: utf-8 -*- ########################################################################### # Copyright (c), The AiiDA team. All rights reserved. # # This file is part of the AiiDA code. # # # # The code is hosted on GitHub at https://github.com/aiidateam/aiida-core # # For further information on the license, see the LICENSE.txt file # # For further information please visit http://www.aiida.net # ########################################################################### """Module with pre-defined reusable commandline options that can be used as `click` decorators.""" import click from pgsu import DEFAULT_DSN as DEFAULT_DBINFO # pylint: disable=no-name-in-module from aiida.backends import BACKEND_DJANGO, BACKEND_SQLA from aiida.manage.external.rmq import BROKER_DEFAULTS from ...utils import defaults, echo from .. import types from .multivalue import MultipleValueOption from .overridable import OverridableOption from .contextualdefault import ContextualDefaultOption from .config import ConfigFileOption __all__ = ( 'graph_traversal_rules', 'PROFILE', 'CALCULATION', 'CALCULATIONS', 'CODE', 'CODES', 'COMPUTER', 'COMPUTERS', 'DATUM', 'DATA', 'GROUP', 'GROUPS', 'NODE', 'NODES', 'FORCE', 'SILENT', 'VISUALIZATION_FORMAT', 'INPUT_FORMAT', 'EXPORT_FORMAT', 'ARCHIVE_FORMAT', 'NON_INTERACTIVE', 'DRY_RUN', 'USER_EMAIL', 'USER_FIRST_NAME', 'USER_LAST_NAME', 'USER_INSTITUTION', 'DB_BACKEND', 'DB_ENGINE', 'DB_HOST', 'DB_PORT', 'DB_USERNAME', 'DB_PASSWORD', 'DB_NAME', 'REPOSITORY_PATH', 'PROFILE_ONLY_CONFIG', 'PROFILE_SET_DEFAULT', 'PREPEND_TEXT', 'APPEND_TEXT', 'LABEL', 'DESCRIPTION', 'INPUT_PLUGIN', 'CALC_JOB_STATE', 'PROCESS_STATE', 'PROCESS_LABEL', 'TYPE_STRING', 'EXIT_STATUS', 'FAILED', 'LIMIT', 'PROJECT', 'ORDER_BY', 'PAST_DAYS', 'OLDER_THAN', 'ALL', 'ALL_STATES', 'ALL_USERS', 'GROUP_CLEAR', 'RAW', 'HOSTNAME', 'TRANSPORT', 'SCHEDULER', 'USER', 'PORT', 'FREQUENCY', 'VERBOSE', 'TIMEOUT', 'FORMULA_MODE', 'TRAJECTORY_INDEX', 'WITH_ELEMENTS', 'WITH_ELEMENTS_EXCLUSIVE', 'DEBUG', 'PRINT_TRACEBACK' ) TRAVERSAL_RULE_HELP_STRING = { 'call_calc_backward': 'CALL links to calculations backwards', 'call_calc_forward': 'CALL links to calculations forwards', 'call_work_backward': 'CALL links to workflows backwards', 'call_work_forward': 'CALL links to workflows forwards', 'input_calc_backward': 'INPUT links to calculations backwards', 'input_calc_forward': 'INPUT links to calculations forwards', 'input_work_backward': 'INPUT links to workflows backwards', 'input_work_forward': 'INPUT links to workflows forwards', 'return_backward': 'RETURN links backwards', 'return_forward': 'RETURN links forwards', 'create_backward': 'CREATE links backwards', 'create_forward': 'CREATE links forwards', } def valid_process_states(): """Return a list of valid values for the ProcessState enum.""" from plumpy import ProcessState return tuple(state.value for state in ProcessState) def valid_calc_job_states(): """Return a list of valid values for the CalcState enum.""" from aiida.common.datastructures import CalcJobState return tuple(state.value for state in CalcJobState) def active_process_states(): """Return a list of process states that are considered active.""" from plumpy import ProcessState return ([ ProcessState.CREATED.value, ProcessState.WAITING.value, ProcessState.RUNNING.value, ]) [docs]def graph_traversal_rules(rules): """Apply the graph traversal rule options to the command.""" def decorator(command): """Only apply to traversal rules if they are toggleable.""" for name, traversal_rule in sorted(rules.items(), reverse=True): if traversal_rule.toggleable: option_name = name.replace('_', '-') option_label = '--{option_name}/--no-{option_name}'.format(option_name=option_name) help_string = f'Whether to expand the node set by following {TRAVERSAL_RULE_HELP_STRING[name]}.' click.option(option_label, default=traversal_rule.default, show_default=True, help=help_string)(command) return command return decorator PROFILE = OverridableOption( '-p', '--profile', 'profile', type=types.ProfileParamType(), default=defaults.get_default_profile, help='Execute the command for this profile instead of the default profile.' ) CALCULATION = OverridableOption( '-C', '--calculation', 'calculation', type=types.CalculationParamType(), help='A single calculation identified by its ID or UUID.' ) CALCULATIONS = OverridableOption( '-C', '--calculations', 'calculations', type=types.CalculationParamType(), cls=MultipleValueOption, help='One or multiple calculations identified by their ID or UUID.' ) CODE = OverridableOption( '-X', '--code', 'code', type=types.CodeParamType(), help='A single code identified by its ID, UUID or label.' ) CODES = OverridableOption( '-X', '--codes', 'codes', type=types.CodeParamType(), cls=MultipleValueOption, help='One or multiple codes identified by their ID, UUID or label.' ) COMPUTER = OverridableOption( '-Y', '--computer', 'computer', type=types.ComputerParamType(), help='A single computer identified by its ID, UUID or label.' ) COMPUTERS = OverridableOption( '-Y', '--computers', 'computers', type=types.ComputerParamType(), cls=MultipleValueOption, help='One or multiple computers identified by their ID, UUID or label.' ) DATUM = OverridableOption( '-D', '--datum', 'datum', type=types.DataParamType(), help='A single datum identified by its ID, UUID or label.' ) DATA = OverridableOption( '-D', '--data', 'data', type=types.DataParamType(), cls=MultipleValueOption, help='One or multiple data identified by their ID, UUID or label.' ) GROUP = OverridableOption( '-G', '--group', 'group', type=types.GroupParamType(), help='A single group identified by its ID, UUID or label.' ) GROUPS = OverridableOption( '-G', '--groups', 'groups', type=types.GroupParamType(), cls=MultipleValueOption, help='One or multiple groups identified by their ID, UUID or label.' ) NODE = OverridableOption( '-N', '--node', 'node', type=types.NodeParamType(), help='A single node identified by its ID or UUID.' ) NODES = OverridableOption( '-N', '--nodes', 'nodes', type=types.NodeParamType(), cls=MultipleValueOption, help='One or multiple nodes identified by their ID or UUID.' ) FORCE = OverridableOption('-f', '--force', is_flag=True, default=False, help='Do not ask for confirmation.') SILENT = OverridableOption('-s', '--silent', is_flag=True, default=False, help='Suppress any output printed to stdout.') VISUALIZATION_FORMAT = OverridableOption( '-F', '--format', 'fmt', show_default=True, help='Format of the visualized output.' ) INPUT_FORMAT = OverridableOption('-F', '--format', 'fmt', show_default=True, help='Format of the input file.') EXPORT_FORMAT = OverridableOption('-F', '--format', 'fmt', show_default=True, help='Format of the exported file.') ARCHIVE_FORMAT = OverridableOption( '-F', '--archive-format', type=click.Choice(['zip', 'zip-uncompressed', 'tar.gz']), default='zip', show_default=True, help='The format of the archive file.' ) NON_INTERACTIVE = OverridableOption( '-n', '--non-interactive', is_flag=True, is_eager=True, help='In non-interactive mode, the CLI never prompts but simply uses default values for options that define one.' ) DRY_RUN = OverridableOption('-n', '--dry-run', is_flag=True, help='Perform a dry run.') USER_EMAIL = OverridableOption( '--email', 'email', type=types.EmailType(), help='Email address associated with the data you generate. The email address is exported along with the data, ' 'when sharing it.' ) USER_FIRST_NAME = OverridableOption( '--first-name', type=types.NonEmptyStringParamType(), help='First name of the user.' ) USER_LAST_NAME = OverridableOption('--last-name', type=types.NonEmptyStringParamType(), help='Last name of the user.') USER_INSTITUTION = OverridableOption( '--institution', type=types.NonEmptyStringParamType(), help='Institution of the user.' ) DB_ENGINE = OverridableOption( '--db-engine', help='Engine to use to connect to the database.', default='postgresql_psycopg2', type=click.Choice(['postgresql_psycopg2']) ) DB_BACKEND = OverridableOption( '--db-backend', type=click.Choice([BACKEND_DJANGO, BACKEND_SQLA]), default=BACKEND_DJANGO, help='Database backend to use.' ) DB_HOST = OverridableOption( '--db-host', type=types.HostnameType(), help='Database server host. Leave empty for "peer" authentication.', default='localhost' ) DB_PORT = OverridableOption( '--db-port', type=click.INT, help='Database server port.', default=DEFAULT_DBINFO['port'], ) DB_USERNAME = OverridableOption( '--db-username', type=types.NonEmptyStringParamType(), help='Name of the database user.' ) DB_PASSWORD = OverridableOption( '--db-password', type=click.STRING, help='Password of the database user.', hide_input=True, ) DB_NAME = OverridableOption('--db-name', type=types.NonEmptyStringParamType(), help='Database name.') BROKER_PROTOCOL = OverridableOption( '--broker-protocol', type=click.Choice(('amqp', 'amqps')), default=BROKER_DEFAULTS.protocol, show_default=True, help='Protocol to use for the message broker.' ) BROKER_USERNAME = OverridableOption( '--broker-username', type=types.NonEmptyStringParamType(), default=BROKER_DEFAULTS.username, show_default=True, help='Username to use for authentication with the message broker.' ) BROKER_PASSWORD = OverridableOption( '--broker-password', type=types.NonEmptyStringParamType(), default=BROKER_DEFAULTS.password, show_default=True, help='Password to use for authentication with the message broker.', hide_input=True, ) BROKER_HOST = OverridableOption( '--broker-host', type=types.HostnameType(), default=BROKER_DEFAULTS.host, show_default=True, help='Hostname for the message broker.' ) BROKER_PORT = OverridableOption( '--broker-port', type=click.INT, default=BROKER_DEFAULTS.port, show_default=True, help='Port for the message broker.', ) BROKER_VIRTUAL_HOST = OverridableOption( '--broker-virtual-host', type=click.types.StringParamType(), default=BROKER_DEFAULTS.virtual_host, show_default=True, help='Name of the virtual host for the message broker without leading forward slash.' ) REPOSITORY_PATH = OverridableOption( '--repository', type=click.Path(file_okay=False), help='Absolute path to the file repository.' ) PROFILE_ONLY_CONFIG = OverridableOption( '--only-config', is_flag=True, default=False, help='Only configure the user and skip creating the database.' ) PROFILE_SET_DEFAULT = OverridableOption( '--set-default', is_flag=True, default=False, help='Set the profile as the new default.' ) PREPEND_TEXT = OverridableOption( '--prepend-text', type=click.STRING, default='', help='Bash script to be executed before an action.' ) APPEND_TEXT = OverridableOption( '--append-text', type=click.STRING, default='', help='Bash script to be executed after an action has completed.' ) LABEL = OverridableOption('-L', '--label', type=click.STRING, metavar='LABEL', help='Short name to be used as a label.') DESCRIPTION = OverridableOption( '-D', '--description', type=click.STRING, metavar='DESCRIPTION', default='', required=False, help='A detailed description.' ) INPUT_PLUGIN = OverridableOption( '-P', '--input-plugin', type=types.PluginParamType(group='calculations'), help='Calculation input plugin string.' ) CALC_JOB_STATE = OverridableOption( '-s', '--calc-job-state', 'calc_job_state', type=types.LazyChoice(valid_calc_job_states), cls=MultipleValueOption, help='Only include entries with this calculation job state.' ) PROCESS_STATE = OverridableOption( '-S', '--process-state', 'process_state', type=types.LazyChoice(valid_process_states), cls=MultipleValueOption, default=active_process_states, help='Only include entries with this process state.' ) PAUSED = OverridableOption('--paused', 'paused', is_flag=True, help='Only include entries that are paused.') PROCESS_LABEL = OverridableOption( '-L', '--process-label', 'process_label', type=click.STRING, required=False, help='Only include entries whose process label matches this filter.' ) TYPE_STRING = OverridableOption( '-T', '--type-string', 'type_string', type=click.STRING, required=False, help='Only include entries whose type string matches this filter. Can include `_` to match a single arbitrary ' 'character or `%` to match any number of characters.' ) EXIT_STATUS = OverridableOption( '-E', '--exit-status', 'exit_status', type=click.INT, help='Only include entries with this exit status.' ) FAILED = OverridableOption( '-X', '--failed', 'failed', is_flag=True, default=False, help='Only include entries that have failed.' ) LIMIT = OverridableOption( '-l', '--limit', 'limit', type=click.INT, default=None, help='Limit the number of entries to display.' ) PROJECT = OverridableOption( '-P', '--project', 'project', cls=MultipleValueOption, help='Select the list of entity attributes to project.' ) ORDER_BY = OverridableOption( '-O', '--order-by', 'order_by', type=click.Choice(['id', 'ctime']), default='ctime', show_default=True, help='Order the entries by this attribute.' ) ORDER_DIRECTION = OverridableOption( '-D', '--order-direction', 'order_dir', type=click.Choice(['asc', 'desc']), default='asc', show_default=True, help='List the entries in ascending or descending order' ) PAST_DAYS = OverridableOption( '-p', '--past-days', 'past_days', type=click.INT, metavar='PAST_DAYS', help='Only include entries created in the last PAST_DAYS number of days.' ) OLDER_THAN = OverridableOption( '-o', '--older-than', 'older_than', type=click.INT, metavar='OLDER_THAN', help='Only include entries created before OLDER_THAN days ago.' ) ALL = OverridableOption( '-a', '--all', 'all_entries', is_flag=True, default=False, help='Include all entries, disregarding all other filter options and flags.' ) ALL_STATES = OverridableOption('-A', '--all-states', is_flag=True, help='Do not limit to items in running state.') ALL_USERS = OverridableOption( '-A', '--all-users', 'all_users', is_flag=True, default=False, help='Include all entries regardless of the owner.' ) GROUP_CLEAR = OverridableOption( '-c', '--clear', is_flag=True, default=False, help='Remove all the nodes from the group.' ) RAW = OverridableOption( '-r', '--raw', 'raw', is_flag=True, default=False, help='Display only raw query results, without any headers or footers.' ) HOSTNAME = OverridableOption('-H', '--hostname', type=types.HostnameType(), help='Hostname.') TRANSPORT = OverridableOption( '-T', '--transport', type=types.PluginParamType(group='transports'), required=True, help="A transport plugin (as listed in 'verdi plugin list aiida.transports')." ) SCHEDULER = OverridableOption( '-S', '--scheduler', type=types.PluginParamType(group='schedulers'), required=True, help="A scheduler plugin (as listed in 'verdi plugin list aiida.schedulers')." ) USER = OverridableOption('-u', '--user', 'user', type=types.UserParamType(), help='Email address of the user.') PORT = OverridableOption('-P', '--port', 'port', type=click.INT, help='Port number.') FREQUENCY = OverridableOption('-F', '--frequency', 'frequency', type=click.INT) VERBOSE = OverridableOption('-v', '--verbose', is_flag=True, default=False, help='Be more verbose in printing output.') TIMEOUT = OverridableOption( '-t', '--timeout', type=click.FLOAT, default=5.0, show_default=True, help='Time in seconds to wait for a response before timing out.' ) WAIT = OverridableOption( '--wait/--no-wait', default=False, help='Wait for the action to be completed otherwise return as soon as it is scheduled.' ) FORMULA_MODE = OverridableOption( '-f', '--formula-mode', type=click.Choice(['hill', 'hill_compact', 'reduce', 'group', 'count', 'count_compact']), default='hill', help='Mode for printing the chemical formula.' ) TRAJECTORY_INDEX = OverridableOption( '-i', '--trajectory-index', 'trajectory_index', type=click.INT, default=None, help='Specific step of the Trajectory to select.' ) WITH_ELEMENTS = OverridableOption( '-e', '--with-elements', 'elements', type=click.STRING, cls=MultipleValueOption, default=None, help='Only select objects containing these elements.' ) WITH_ELEMENTS_EXCLUSIVE = OverridableOption( '-E', '--with-elements-exclusive', 'elements_exclusive', type=click.STRING, cls=MultipleValueOption, default=None, help='Only select objects containing only these and no other elements.' ) CONFIG_FILE = ConfigFileOption( '--config', type=types.FileOrUrl(), help='Load option values from configuration file in yaml format (local path or URL).' ) IDENTIFIER = OverridableOption( '-i', '--identifier', 'identifier', help='The type of identifier used for specifying each node.', default='pk', type=click.Choice(['pk', 'uuid']) ) DICT_FORMAT = OverridableOption( '-f', '--format', 'fmt', type=click.Choice(list(echo.VALID_DICT_FORMATS_MAPPING.keys())), default=list(echo.VALID_DICT_FORMATS_MAPPING.keys())[0], help='The format of the output data.' ) DICT_KEYS = OverridableOption( '-k', '--keys', type=click.STRING, cls=MultipleValueOption, help='Filter the output by one or more keys.' ) DEBUG = OverridableOption( '--debug', is_flag=True, default=False, help='Show debug messages. Mostly relevant for developers.', hidden=True ) PRINT_TRACEBACK = OverridableOption( '-t', '--print-traceback', is_flag=True, help='Print the full traceback in case an exception is raised.', )