AiiDA Command Line#

Commands#

Below is a list with all available subcommands.

verdi archive#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Create, inspect and import AiiDA archives.

Options:
  --help  Show this message and exit.

Commands:
  create   Create an archive from all or part of a profiles's data.
  import   Import archived data to a profile.
  info     Summarise the contents of an archive.
  migrate  Migrate an archive to a more recent schema version.
  version  Print the current version of an archive's schema.

verdi calcjob#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Inspect and manage calcjobs.

Options:
  --help  Show this message and exit.

Commands:
  cleanworkdir  Clean all content of all output remote folders of calcjobs.
  gotocomputer  Open a shell in the remote folder on the calcjob.
  inputcat      Show the contents of one of the calcjob input files.
  inputls       Show the list of the generated calcjob input files.
  outputcat     Show the contents of one of the calcjob retrieved outputs.
  outputls      Show the list of the retrieved calcjob output files.
  res           Print data from the result output Dict node of a calcjob.

verdi code#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Setup and manage codes.

Options:
  --help  Show this message and exit.

Commands:
  create     Create a new code.
  delete     Delete a code.
  duplicate  Duplicate a code allowing to change some parameters.
  hide       Hide one or more codes from `verdi code list`.
  list       List the available codes.
  relabel    Relabel a code.
  reveal     Reveal one or more hidden codes in `verdi code list`.
  setup      Setup a new code.
  show       Display detailed information for a code.
  test       Run tests for the given code to check whether it is usable.

verdi computer#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Setup and manage computers.

Options:
  --help  Show this message and exit.

Commands:
  configure  Configure the Authinfo details for a computer (and user).
  delete     Delete a computer.
  disable    Disable the computer for the given user.
  duplicate  Duplicate a computer allowing to change some parameters.
  enable     Enable the computer for the given user.
  list       List all available computers.
  relabel    Relabel a computer.
  setup      Create a new computer.
  show       Show detailed information for a computer.
  test       Test the connection to a computer.

verdi config#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Manage the AiiDA configuration.

Options:
  --help  Show this message and exit.

Commands:
  caching    List caching-enabled process types for the current profile.
  downgrade  Print a configuration, downgraded to a specific version.
  get        Get the value of an AiiDA option for the current profile.
  list       List AiiDA options for the current profile.
  set        Set an AiiDA option.
  show       Show details of an AiiDA option for the current profile.
  unset      Unset an AiiDA option.

verdi daemon#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Inspect and manage the daemon.

Options:
  --help  Show this message and exit.

Commands:
  decr     Remove NUMBER [default=1] workers from the running daemon.
  incr     Add NUMBER [default=1] workers to the running daemon.
  logshow  Show the log of the daemon, press CTRL+C to quit.
  restart  Restart the daemon.
  start    Start the daemon with NUMBER workers.
  status   Print the status of the current daemon or all daemons.
  stop     Stop the daemon.

verdi data#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Inspect, create and manage data nodes.

Options:
  -v, --verbosity [notset|debug|info|report|warning|error|critical]
                                  Set the verbosity of the output.
  --help                          Show this message and exit.

verdi database#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Inspect and manage the database.

  .. deprecated:: v2.0.0

Options:
  --help  Show this message and exit.

Commands:
  integrity  Check the integrity of the database and fix potential issues.
  migrate    Migrate the database to the latest schema version.
  summary    Summarise the entities in the database.
  version    Show the version of the database.

verdi devel#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Commands for developers.

Options:
  --help  Show this message and exit.

Commands:
  check-load-time          Check for common indicators that slowdown `verdi`.
  check-undesired-imports  Check that verdi does not import python modules it shouldn't.
  run-sql                  Run a raw SQL command on the profile database (only...
  run_daemon               Run a daemon instance in the current interpreter.
  validate-plugins         Validate all plugins by checking they can be loaded.

verdi group#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Create, inspect and manage groups of nodes.

Options:
  --help  Show this message and exit.

Commands:
  add-nodes     Add nodes to a group.
  copy          Duplicate a group.
  create        Create an empty group with a given label.
  delete        Delete a group and (optionally) the nodes it contains.
  description   Change the description of a group.
  list          Show a list of existing groups.
  move-nodes    Move the specified NODES from one group to another.
  path          Inspect groups of nodes, with delimited label paths.
  relabel       Change the label of a group.
  remove-nodes  Remove nodes from a group.
  show          Show information for a given group.

verdi help#

Usage:  [OPTIONS] [COMMAND]

  Show help for given command.

Options:
  --help  Show this message and exit.

verdi node#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Inspect, create and manage nodes.

Options:
  --help  Show this message and exit.

Commands:
  attributes   Show the attributes of one or more nodes.
  comment      Inspect, create and manage node comments.
  delete       Delete nodes from the provenance graph.
  description  View or set the description of one or more nodes.
  extras       Show the extras of one or more nodes.
  graph        Create visual representations of the provenance graph.
  label        View or set the label of one or more nodes.
  rehash       Recompute the hash for nodes in the database.
  repo         Inspect the content of a node repository folder.
  show         Show generic information on one or more nodes.

verdi plugin#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Inspect AiiDA plugins.

Options:
  --help  Show this message and exit.

Commands:
  list  Display a list of all available plugins.

verdi process#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Inspect and manage processes.

Options:
  --help  Show this message and exit.

Commands:
  call-root  Show root process of the call stack for the given processes.
  kill       Kill running processes.
  list       Show a list of running or terminated processes.
  pause      Pause running processes.
  play       Play (unpause) paused processes.
  report     Show the log report for one or multiple processes.
  show       Show details for one or multiple processes.
  status     Print the status of one or multiple processes.
  watch      Watch the state transitions for a process.

verdi profile#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Inspect and manage the configured profiles.

Options:
  --help  Show this message and exit.

Commands:
  delete      Delete one or more profiles.
  list        Display a list of all available profiles.
  setdefault  Set a profile as the default one.
  show        Show details for a profile.

verdi quicksetup#

Usage:  [OPTIONS]

  Setup a new profile in a fully automated fashion.

Options:
  -n, --non-interactive           In non-interactive mode, the CLI never prompts but
                                  simply uses default values for options that define one.
  --profile PROFILE               The name of the new profile.  [required]
  --email EMAIL                   Email address associated with the data you generate. The
                                  email address is exported along with the data, when
                                  sharing it.  [required]
  --first-name NONEMPTYSTRING     First name of the user.  [required]
  --last-name NONEMPTYSTRING      Last name of the user.  [required]
  --institution NONEMPTYSTRING    Institution of the user.  [required]
  --db-engine [postgresql_psycopg2]
                                  Engine to use to connect to the database.
  --db-backend [core.psql_dos]    Database backend to use.
  --db-host HOSTNAME              Database server host. Leave empty for "peer"
                                  authentication.
  --db-port INTEGER               Database server port.
  --db-name NONEMPTYSTRING        Name of the database to create.
  --db-username NONEMPTYSTRING    Name of the database user to create.
  --db-password TEXT              Password of the database user.
  --su-db-name TEXT               Name of the template database to connect to as the
                                  database superuser.
  --su-db-username TEXT           User name of the database super user.
  --su-db-password TEXT           Password to connect as the database superuser.
  --broker-protocol [amqp|amqps]  Protocol to use for the message broker.  [default: amqp]
  --broker-username NONEMPTYSTRING
                                  Username to use for authentication with the message
                                  broker.  [default: guest]
  --broker-password NONEMPTYSTRING
                                  Password to use for authentication with the message
                                  broker.  [default: guest]
  --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.
  --repository DIRECTORY          Absolute path to the file repository.
  --test-profile                  Designate the profile to be used for running the test
                                  suite only.
  --config FILEORURL              Load option values from configuration file in yaml
                                  format (local path or URL).
  --help                          Show this message and exit.

verdi restapi#

Usage:  [OPTIONS]

  Run the AiiDA REST API server.

  Example Usage:

      verdi -p <profile_name> restapi --hostname 127.0.0.5 --port 6789

Options:
  -H, --hostname HOSTNAME  Hostname.
  -P, --port INTEGER       Port number.
  -c, --config-dir PATH    Path to the configuration directory
  --wsgi-profile           Whether to enable WSGI profiler middleware for finding
                           bottlenecks
  --help                   Show this message and exit.

verdi run#

Usage:  [OPTIONS] [--] FILEPATH [VARARGS]...

  Execute scripts with preloaded AiiDA environment.

Options:
  --auto-group                    Enables the autogrouping
  -l, --auto-group-label-prefix TEXT
                                  Specify the prefix of the label of the auto group
                                  (numbers might be automatically appended to generate
                                  unique names per run).
  -e, --exclude STR...            Exclude these classes from auto grouping (use full
                                  entrypoint strings).
  -i, --include STR...            Include these classes from auto grouping (use full
                                  entrypoint strings or "all").
  --help                          Show this message and exit.

verdi setup#

Usage:  [OPTIONS]

  Setup a new profile.

  This method assumes that an empty PSQL database has been created and that the database
  user has been created.

Options:
  -n, --non-interactive           In non-interactive mode, the CLI never prompts but
                                  simply uses default values for options that define one.
  --profile PROFILE               The name of the new profile.  [required]
  --email EMAIL                   Email address associated with the data you generate. The
                                  email address is exported along with the data, when
                                  sharing it.  [required]
  --first-name NONEMPTYSTRING     First name of the user.  [required]
  --last-name NONEMPTYSTRING      Last name of the user.  [required]
  --institution NONEMPTYSTRING    Institution of the user.  [required]
  --db-engine [postgresql_psycopg2]
                                  Engine to use to connect to the database.
  --db-backend [core.psql_dos]    Database backend to use.
  --db-host HOSTNAME              Database server host. Leave empty for "peer"
                                  authentication.
  --db-port INTEGER               Database server port.
  --db-name NONEMPTYSTRING        Name of the database to create.  [required]
  --db-username NONEMPTYSTRING    Name of the database user to create.  [required]
  --db-password TEXT              Password of the database user.  [required]
  --broker-protocol [amqp|amqps]  Protocol to use for the message broker.  [required]
  --broker-username NONEMPTYSTRING
                                  Username to use for authentication with the message
                                  broker.  [required]
  --broker-password NONEMPTYSTRING
                                  Password to use for authentication with the message
                                  broker.  [required]
  --broker-host HOSTNAME          Hostname for the message broker.  [required]
  --broker-port INTEGER           Port for the message broker.  [required]
  --broker-virtual-host TEXT      Name of the virtual host for the message broker without
                                  leading forward slash.  [required]
  --repository DIRECTORY          Absolute path to the file repository.
  --test-profile                  Designate the profile to be used for running the test
                                  suite only.
  --config FILEORURL              Load option values from configuration file in yaml
                                  format (local path or URL).
  --help                          Show this message and exit.

verdi shell#

Usage:  [OPTIONS]

  Start a python shell with preloaded AiiDA environment.

Options:
  --plain                         Use a plain Python shell.
  --no-startup                    When using plain Python, ignore the PYTHONSTARTUP
                                  environment variable and ~/.pythonrc.py script.
  -i, --interface [ipython|bpython]
                                  Specify an interactive interpreter interface.
  --help                          Show this message and exit.

verdi status#

Usage:  [OPTIONS]

  Print status of AiiDA services.

Options:
  -t, --print-traceback  Print the full traceback in case an exception is raised.
  --no-rmq               Do not check RabbitMQ status
  --help                 Show this message and exit.

verdi storage#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Inspect and manage stored data for a profile.

Options:
  --help  Show this message and exit.

Commands:
  info       Summarise the contents of the storage.
  integrity  Checks for the integrity of the data storage.
  maintain   Performs maintenance tasks on the repository.
  migrate    Migrate the storage to the latest schema version.
  version    Print the current version of the storage schema.

verdi user#

Usage:  [OPTIONS] COMMAND [ARGS]...

  Inspect and manage users.

Options:
  --help  Show this message and exit.

Commands:
  configure    Configure a new or existing user.
  list         Show a list of all users.
  set-default  Set a user as the default user for the profile.