aiida.control package¶
User facing APIs to control AiiDA from the verdi cli, scripts or plugins
Subpackages¶
Submodules¶
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.
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class
aiida.control.postgres.
Postgres
(port=None, interactive=False, quiet=True)[source]¶ Bases:
object
Provides postgres database manipulation assuming no prior setup
- Can be used to create the initial aiida db user and database.
- Works in every reasonable environment, provided the user can sudo
Tries to use psychopg2 with a fallback to psql subcommands (using
sudo su
to run as postgres user).Parameters: - port – (str) Assume the database server runs on this port
- interactive – (bool) Allow prompting the user for information
Will also be passed to
sudo
(if usingpsycopg2
fails) and to the callback that can be set to be called when automatic setup detection fails - quiet – (bool) Suppress messages
Simple Example:
postgres = Postgres() postgres.determine_setup() postgres.create_dbuser('username', 'password') if not postgres.db_exists('dbname'): postgres.create_db('username', 'dbname')
Complex Example:
postgres = Postgres(port=5433, interactive=True) postgres.setup_fail_callback = prompt_db_info postgres.determine_setup() if postgres.pg_execute: print('setup sucessful!')
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__dict__
= dict_proxy({'__module__': 'aiida.control.postgres', 'copy_db': <function copy_db>, '__weakref__': <attribute '__weakref__' of 'Postgres' objects>, 'set_port': <function set_port>, 'determine_setup': <function determine_setup>, 'create_dbuser': <function create_dbuser>, 'drop_db': <function drop_db>, 'create_db': <function create_db>, 'set_setup_fail_callback': <function set_setup_fail_callback>, 'drop_dbuser': <function drop_dbuser>, 'dbuser_exists': <function dbuser_exists>, '__dict__': <attribute '__dict__' of 'Postgres' objects>, 'db_exists': <function db_exists>, '__doc__': "\n Provides postgres database manipulation assuming no prior setup\n\n * Can be used to create the initial aiida db user and database.\n * Works in every reasonable environment, provided the user can sudo\n\n Tries to use psychopg2 with a fallback to psql subcommands (using ``sudo su`` to run as postgres user).\n\n :param port: (str) Assume the database server runs on this port\n :param interactive: (bool) Allow prompting the user for information\n Will also be passed to ``sudo`` (if using ``psycopg2`` fails) and to\n the callback that can be set to be called when automatic setup detection fails\n :param quiet: (bool) Suppress messages\n\n Simple Example::\n\n postgres = Postgres()\n postgres.determine_setup()\n postgres.create_dbuser('username', 'password')\n if not postgres.db_exists('dbname'):\n postgres.create_db('username', 'dbname')\n\n Complex Example::\n\n postgres = Postgres(port=5433, interactive=True)\n postgres.setup_fail_callback = prompt_db_info\n postgres.determine_setup()\n if postgres.pg_execute:\n print('setup sucessful!')\n ", '__init__': <function __init__>, '_no_setup_detected': <function _no_setup_detected>})¶
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__init__
(port=None, interactive=False, quiet=True)[source]¶ x.__init__(…) initializes x; see help(type(x)) for signature
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__module__
= 'aiida.control.postgres'¶
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__weakref__
¶ list of weak references to the object (if defined)
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create_db
(dbuser, dbname)[source]¶ Create a database in postgres
Parameters: - dbuser – (str), Name of the user which should own the db.
- dbname – (str), Name of the database.
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create_dbuser
(dbuser, dbpass)[source]¶ Create a database user in postgres
Parameters: - dbuser – (str), Name of the user to be created.
- dbpass – (str), Password the user should be given.
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db_exists
(dbname)[source]¶ Check wether a postgres database with dbname exists
Parameters: dbname – Name of the database to check for Returns: (bool), True if database exists, False otherwise
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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
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determine_setup
()[source]¶ Find out how postgres can be accessed.
Depending on how postgres is set up, psycopg2 can be used to create dbs and db users, otherwise a subprocess has to be used that executes psql as an os user with the right permissions.
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drop_db
(dbname)[source]¶ Drop a database in postgres
Parameters: dbname – (str), Name of the database.
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aiida.control.postgres.
_pg_execute_not_connected
(command, **kwargs)[source]¶ A dummy implementation of a postgres command execution function.
Represents inability to execute postgres commands.
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aiida.control.postgres.
_pg_execute_psyco
(command, **kwargs)[source]¶ executes a postgres commandline through psycopg2
Parameters: - command – A psql command line as a str
- kwargs – will be forwarded to psycopg2.connect
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aiida.control.postgres.
_pg_execute_sh
(command, user='postgres', **kwargs)[source]¶ executes a postgres command line as another system user in a subprocess.
Parameters: - command – A psql command line as a str
- user – Name of a system user with postgres permissions
- kwargs – connection details to forward to psql, signature as in psycopg2.connect
To stop sudo from asking for a password and fail if one is required, pass noninteractive=True as a kwarg.
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aiida.control.postgres.
_try_connect
(**kwargs)[source]¶ try to start a psycopg2 connection.
Returns: True if successful, False otherwise
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aiida.control.postgres.
_try_subcmd
(**kwargs)[source]¶ try to run psql in a subprocess.
Returns: True if successful, False otherwise
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aiida.control.postgres.
manual_setup_instructions
(dbuser, dbname)[source]¶ Create a message with instructions for manually creating a database
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aiida.control.postgres.
prompt_db_info
(*args)[source]¶ Prompt interactively for postgres database connecting details
Can be used as a setup fail callback for
aiida.control.postgres.Postgres
Returns: dictionary with the following keys: host, port, database, user
Create, configure, manage users