aiida.manage package

Managing an AiiDA instance:

  • configuration file

  • profiles

  • databases

  • repositories

  • external components (such as Postgres, RabbitMQ)

Note

Modules in this sub package may require the database environment to be loaded

Submodules

Definition of caching mechanism and configuration for calculations.

aiida.manage.caching.disable_caching(*, identifier=None)[source]

Context manager to disable caching, either for a specific node class, or globally.

Warning

this does not affect the behavior of the daemon, only the local Python interpreter.

Parameters

identifier (str) – Process type string of the node, or a pattern with ‘*’ wildcard that matches it. If not provided, caching is disabled for all classes.

aiida.manage.caching.enable_caching(*, identifier=None)[source]

Context manager to enable caching, either for a specific node class, or globally.

Warning

this does not affect the behavior of the daemon, only the local Python interpreter.

Parameters

identifier (str) – Process type string of the node, or a pattern with ‘*’ wildcard that matches it. If not provided, caching is enabled for all classes.

aiida.manage.caching.get_use_cache(*, identifier=None)[source]

Return whether the caching mechanism should be used for the given process type according to the configuration.

Parameters

identifier (str) – Process type string of the node

Returns

boolean, True if caching is enabled, False otherwise

Raises

~aiida.common.exceptions.ConfigurationError if the configuration is invalid, either due to a general configuration error, or by defining the class both enabled and disabled

AiiDA manager for global settings

aiida.manage.manager.get_manager() → aiida.manage.manager.Manager[source]
aiida.manage.manager.reset_manager() → None[source]
aiida.engine.processes.workchains package aiida.manage.configuration package