aiida.manage.external package¶
User facing APIs to control AiiDA from the verdi cli, scripts or plugins
Submodules¶
Connect to an existing PostgreSQL cluster as the postgres superuser and execute SQL commands.
- Note: Once the API of this functionality has converged, this module should be moved out of aiida-core and into a
separate package that can then be tested on multiple OS / postgres setups. Therefore, please keep this module entirely AiiDA-agnostic.
Provides an API for postgres database maintenance tasks.
This API creates and drops postgres users and databases used by the
verdi quicksetup
commandline tool. It allows convenient access to this
functionality from within python without knowing details about how postgres is
installed by default on various systems. If the postgres setup is not the
default installation, additional information needs to be provided.
-
class
aiida.manage.external.postgres.
Postgres
(dbinfo=None, **kwargs)[source]¶ Bases:
pgsu.PGSU
Adds convenience functions to
pgsu.PGSU
.- Provides convenience functions for
creating/dropping users
creating/dropping databases
etc.
Example:
postgres = Postgres() postgres.create_dbuser('username', 'password') if not postgres.db_exists('dbname'): postgres.create_db('username', 'dbname')
-
__module__
= 'aiida.manage.external.postgres'¶
-
check_db
(dbname)[source]¶ Looks up if a database with the name exists, prompts for using or creating a differently named one.
- Parameters
dbname (str) – Name of the database to be created or reused.
- Returns
tuple (dbname, created)
-
check_dbuser
(dbuser)[source]¶ Looks up if a given user already exists, prompts for using or creating a differently named one.
- Parameters
dbuser (str) – Name of the user to be created or reused.
- Returns
tuple (dbuser, created)
-
create_dbuser_db_safe
(dbname, dbuser, dbpass)[source]¶ Create DB and user + grant privileges.
Prompts when reusing existing users / databases.
-
db_exists
(dbname)[source]¶ Check wether a postgres database with dbname exists
- Parameters
dbname (str) – Name of the database to check for
- Returns
(bool), True if database exists, False otherwise
-
property
dbinfo
¶ Alias for Postgres.dsn.
-
dbuser_exists
(dbuser)[source]¶ Find out if postgres user with name dbuser exists
- Parameters
dbuser (str) – database user to check for
- Returns
(bool) True if user exists, False otherwise
-
drop_db
(dbname)[source]¶ Drop a database in postgres
- Parameters
dbname (str) – Name of the database.
-
drop_dbuser
(dbuser)[source]¶ Drop a database user in postgres
- Parameters
dbuser (str) – Name of the user to be dropped.
-
classmethod
from_profile
(profile, **kwargs)[source]¶ Create Postgres instance with dbinfo from AiiDA profile data.
- Note: This only uses host and port from the profile, since the others are not going to be relevant for the
database superuser.
- Parameters
profile – AiiDA profile instance
kwargs – keyword arguments forwarded to PGSU constructor
- Returns
Postgres instance pre-populated with data from AiiDA profile
-
property
host_for_psycopg2
¶ Return correct host for psycopg2 connection (as required by regular AiiDA operation).
-
property
port_for_psycopg2
¶ Return port for psycopg2 connection (as required by regular AiiDA operation).
-
class
aiida.manage.external.postgres.
PostgresConnectionMode
[source]¶ Bases:
enum.IntEnum
Describe mode of connecting to postgres.
-
DISCONNECTED
= 0¶
-
PSQL
= 2¶
-
PSYCOPG
= 1¶
-
__module__
= 'pgsu'¶
-
Components to communicate tasks to RabbitMQ.
-
exception
aiida.manage.external.rmq.
RemoteException
[source]¶ Bases:
Exception
An exception occurred at the remote end of the call
-
__module__
= 'kiwipy.communications'¶
-
__weakref__
¶ list of weak references to the object (if defined)
-
-
aiida.manage.external.rmq.
CommunicationTimeout
¶ alias of
concurrent.futures._base.TimeoutError
-
exception
aiida.manage.external.rmq.
DeliveryFailed
[source]¶ Bases:
Exception
Failed to deliver a message
-
__module__
= 'kiwipy.communications'¶
-
__weakref__
¶ list of weak references to the object (if defined)
-
-
class
aiida.manage.external.rmq.
ProcessLauncher
(loop=None, persister=None, load_context=None, loader=None)[source]¶ Bases:
plumpy.process_comms.ProcessLauncher
A sub class of plumpy.ProcessLauncher to launch a Process.
It overrides the _continue method to make sure the node corresponding to the task can be loaded and that if it is already marked as terminated, it is not continued but the future is reconstructed and returned
-
__module__
= 'aiida.manage.external.rmq'¶
-
_continue
(communicator, pid, nowait, tag=None)[source]¶ Continue the task.
Note that the task may already have been completed, as indicated from the corresponding the node, in which case it is not continued, but the corresponding future is reconstructed and returned. This scenario may occur when the Process was already completed by another worker that however failed to send the acknowledgment.
- Parameters
communicator – the communicator that called this method
pid – the pid of the process to continue
nowait – if True don’t wait for the process to finish, just return the pid, otherwise wait and return the results
tag – the tag of the checkpoint to continue from
-
static
handle_continue_exception
(node, exception, message)[source]¶ Handle exception raised in _continue call.
If the process state of the node has not yet been put to excepted, the exception was raised before the process instance could be reconstructed, for example when the process class could not be loaded, thereby circumventing the exception handling of the state machine. Raising this exception will then acknowledge the process task with RabbitMQ leaving an uncleaned node in the CREATED state for ever. Therefore we have to perform the node cleaning manually.
- Parameters
exception – the exception object
message – string message to use for the log message
-