diff --git a/docs/source/reference/command_line.rst b/docs/source/reference/command_line.rst index 1e8370e5e8..2b749fd3ae 100644 --- a/docs/source/reference/command_line.rst +++ b/docs/source/reference/command_line.rst @@ -451,7 +451,7 @@ Below is a list with all available subcommands. --broker-host HOSTNAME Hostname for the message broker. [default: 127.0.0.1] --broker-port INTEGER Port for the message broker. [default: 5672] --broker-virtual-host TEXT Name of the virtual host for the message broker without - leading forward slash. + leading forward slash. [default: ""] --repository DIRECTORY Absolute path to the file repository. --test-profile Designate the profile to be used for running the test suite only. diff --git a/src/aiida/__init__.py b/src/aiida/__init__.py index 88d97aaddc..5e03ccc9a7 100644 --- a/src/aiida/__init__.py +++ b/src/aiida/__init__.py @@ -19,8 +19,22 @@ More information at http://www.aiida.net """ +from aiida.brokers import * +from aiida.calculations import * +from aiida.cmdline import * +from aiida.common import * from aiida.common.log import configure_logging +from aiida.engine import * +from aiida.manage import * from aiida.manage.configuration import get_config_option, get_profile, load_profile, profile_context +from aiida.orm import * +from aiida.parsers import * +from aiida.plugins import * +from aiida.repository import * +from aiida.schedulers import * +from aiida.storage import * +from aiida.tools import * +from aiida.transports import * __copyright__ = ( 'Copyright (c), This file is part of the AiiDA platform. ' @@ -35,7 +49,7 @@ ) __paper_short__ = 'S. P. Huber et al., Scientific Data 7, 300 (2020).' -__all__ = [ +__all__ = [ # noqa: RUF022 'configure_logging', 'get_config_option', 'get_file_header', @@ -45,6 +59,342 @@ 'load_ipython_extension', 'load_profile', 'profile_context', + # aiida.orm + 'ASCENDING', + 'DESCENDING', + 'AbstractCode', + 'AbstractNodeMeta', + 'ArrayData', + 'AttributeManager', + 'AuthInfo', + 'AutoGroup', + 'BandsData', + 'BaseType', + 'Bool', + 'CalcFunctionNode', + 'CalcJobNode', + 'CalcJobResultManager', + 'CalculationEntityLoader', + 'CalculationNode', + 'CifData', + 'Code', + 'CodeEntityLoader', + 'Collection', + 'Comment', + 'Computer', + 'ComputerEntityLoader', + 'ContainerizedCode', + 'Data', + 'Dict', + 'Entity', + 'EntityExtras', + 'EntityTypes', + 'EnumData', + 'Float', + 'FolderData', + 'Group', + 'GroupEntityLoader', + 'ImportGroup', + 'InstalledCode', + 'Int', + 'JsonableData', + 'Kind', + 'KpointsData', + 'LinkManager', + 'LinkPair', + 'LinkTriple', + 'List', + 'Log', + 'Node', + 'NodeAttributes', + 'NodeEntityLoader', + 'NodeLinksManager', + 'NodeRepository', + 'NumericType', + 'OrbitalData', + 'OrderSpecifier', + 'OrmEntityLoader', + 'PortableCode', + 'ProcessNode', + 'ProjectionData', + 'QbField', + 'QbFieldFilters', + 'QbFields', + 'QueryBuilder', + 'RemoteData', + 'RemoteStashData', + 'RemoteStashFolderData', + 'SinglefileData', + 'Site', + 'Str', + 'StructureData', + 'TrajectoryData', + 'UpfData', + 'UpfFamily', + 'User', + 'WorkChainNode', + 'WorkFunctionNode', + 'WorkflowNode', + 'XyData', + 'cif_from_ase', + 'find_bandgap', + 'get_loader', + 'get_query_type_from_type_string', + 'get_type_string_from_class', + 'has_pycifrw', + 'load_code', + 'load_computer', + 'load_entity', + 'load_group', + 'load_node', + 'load_node_class', + 'pycifrw_from_cif', + 'to_aiida_type', + 'validate_link', + # aiida.engine + 'PORT_NAMESPACE_SEPARATOR', + 'AiiDAPersister', + 'Awaitable', + 'AwaitableAction', + 'AwaitableTarget', + 'BaseRestartWorkChain', + 'CalcJob', + 'CalcJobImporter', + 'CalcJobOutputPort', + 'CalcJobProcessSpec', + 'DaemonClient', + 'ExitCode', + 'ExitCodesNamespace', + 'FunctionProcess', + 'InputPort', + 'InterruptableFuture', + 'JobManager', + 'JobsList', + 'ObjectLoader', + 'OutputPort', + 'PastException', + 'PortNamespace', + 'Process', + 'ProcessBuilder', + 'ProcessBuilderNamespace', + 'ProcessFuture', + 'ProcessHandlerReport', + 'ProcessSpec', + 'ProcessState', + 'Runner', + 'ToContext', + 'WithNonDb', + 'WithSerialize', + 'WorkChain', + 'append_', + 'assign_', + 'await_processes', + 'calcfunction', + 'construct_awaitable', + 'get_daemon_client', + 'get_object_loader', + 'if_', + 'interruptable_task', + 'is_process_function', + 'process_handler', + 'return_', + 'run', + 'run_get_node', + 'run_get_pk', + 'submit', + 'while_', + 'workfunction', + # aiida.calculations + 'CalculationTools', + # aiida.cmdline + 'AbsolutePathParamType', + 'CalculationParamType', + 'CodeParamType', + 'ComputerParamType', + 'ConfigOptionParamType', + 'DataParamType', + 'DynamicEntryPointCommandGroup', + 'EmailType', + 'EntryPointType', + 'FileOrUrl', + 'GroupParamType', + 'HostnameType', + 'IdentifierParamType', + 'LabelStringType', + 'LazyChoice', + 'MpirunCommandParamType', + 'MultipleValueParamType', + 'NodeParamType', + 'NonEmptyStringParamType', + 'PathOrUrl', + 'PluginParamType', + 'ProcessParamType', + 'ProfileParamType', + 'ShebangParamType', + 'UserParamType', + 'VerdiCommandGroup', + 'WorkflowParamType', + 'dbenv', + 'echo_critical', + 'echo_dictionary', + 'echo_error', + 'echo_info', + 'echo_report', + 'echo_success', + 'echo_tabulate', + 'echo_warning', + 'format_call_graph', + 'is_verbose', + 'only_if_daemon_running', + 'with_dbenv', + # aiida.common + 'AIIDA_LOGGER', + 'TQDM_BAR_FORMAT', + 'AiidaException', + 'AttributeDict', + 'CalcInfo', + 'CalcJobState', + 'ClosedStorage', + 'CodeInfo', + 'CodeRunMode', + 'ConfigurationError', + 'ConfigurationVersionError', + 'ContentNotExistent', + 'CorruptStorage', + 'DbContentError', + 'DefaultFieldsAttributeDict', + 'EntryPointError', + 'FailedError', + 'FeatureDisabled', + 'FeatureNotAvailable', + 'FixedFieldsAttributeDict', + 'GraphTraversalRule', + 'GraphTraversalRules', + 'HashingError', + 'IncompatibleStorageSchema', + 'InputValidationError', + 'IntegrityError', + 'InternalError', + 'InvalidEntryPointTypeError', + 'InvalidOperation', + 'LicensingException', + 'LinkType', + 'LoadingEntryPointError', + 'LockedProfileError', + 'LockingProfileError', + 'MissingConfigurationError', + 'MissingEntryPointError', + 'ModificationNotAllowed', + 'MultipleEntryPointError', + 'MultipleObjectsError', + 'NotExistent', + 'NotExistentAttributeError', + 'NotExistentKeyError', + 'OutputParsingError', + 'ParsingError', + 'PluginInternalError', + 'ProfileConfigurationError', + 'ProgressReporterAbstract', + 'RemoteOperationError', + 'StashMode', + 'StorageMigrationError', + 'StoringNotAllowed', + 'TestsNotAllowedError', + 'TransportTaskException', + 'UniquenessError', + 'UnsupportedSpeciesError', + 'ValidationError', + 'create_callback', + 'get_progress_reporter', + 'override_log_level', + 'set_progress_bar_tqdm', + 'set_progress_reporter', + 'validate_link_label', + # aiida.manage + 'CURRENT_CONFIG_VERSION', + 'MIGRATIONS', + 'OLDEST_COMPATIBLE_CONFIG_VERSION', + 'Option', + 'Profile', + 'check_and_migrate_config', + 'config_needs_migrating', + 'disable_caching', + 'downgrade_config', + 'enable_caching', + 'get_current_version', + 'get_manager', + 'get_option', + 'get_option_names', + 'get_use_cache', + 'parse_option', + 'upgrade_config', + # aiida.parsers + 'Parser', + # aiida.plugins + 'BaseFactory', + 'CalcJobImporterFactory', + 'CalculationFactory', + 'DataFactory', + 'DbImporterFactory', + 'GroupFactory', + 'OrbitalFactory', + 'ParserFactory', + 'PluginVersionProvider', + 'SchedulerFactory', + 'StorageFactory', + 'TransportFactory', + 'WorkflowFactory', + 'get_entry_points', + 'load_entry_point', + 'load_entry_point_from_string', + 'parse_entry_point', + # aiida.repository + 'AbstractRepositoryBackend', + 'DiskObjectStoreRepositoryBackend', + 'File', + 'FileType', + 'Repository', + 'SandboxRepositoryBackend', + # aiida.schedulers + 'BashCliScheduler', + 'JobInfo', + 'JobResource', + 'JobState', + 'JobTemplate', + 'MachineInfo', + 'NodeNumberJobResource', + 'ParEnvJobResource', + 'Scheduler', + 'SchedulerError', + 'SchedulerParsingError', + # aiida.storage + 'SqliteDosStorage', + # aiida.tools + 'DELETE_LOGGER', + 'CalculationTools', + 'Graph', + 'GroupNotFoundError', + 'GroupNotUniqueError', + 'GroupPath', + 'InvalidPath', + 'NoGroupsInPathError', + 'Orbital', + 'RealhydrogenOrbital', + 'default_link_styles', + 'default_node_styles', + 'default_node_sublabels', + 'delete_group_nodes', + 'delete_nodes', + 'get_explicit_kpoints_path', + 'get_kpoints_path', + 'pstate_node_styles', + 'spglib_tuple_to_structure', + 'structure_to_spglib_tuple', + # aiida.transports + 'SshTransport', + 'Transport', + 'convert_to_bool', + 'parse_sshconfig', ]