Below is a list with all available subcommands.
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.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.
remotecat Show the contents of a file in the remote working directory.
res Print data from the result output Dict node of a calcjob.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.
export Export code to a yaml file.
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 (Deprecated) Setup a new code (use `verdi code create`).
show Display detailed information for a code.
test Run tests for the given code to check whether it is usable.Usage: [OPTIONS] COMMAND [ARGS]...
Setup and manage computers.
Options:
--help Show this message and exit.
Commands:
configure Configure the transport 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.
export Export the setup or configuration of a computer.
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.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.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.
worker Run a single daemon worker in the current interpreter.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.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.
launch-add Launch an ``ArithmeticAddCalculation``.
launch-multiply-add Launch a ``MultipylAddWorkChain``.
rabbitmq Commands to interact with RabbitMQ.
run-sql Run a raw SQL command on the profile database (only...
validate-plugins Validate all plugins by checking they can be loaded.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 groups and (optionally) the nodes they contain.
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.Usage: [OPTIONS] [COMMAND]
Show help for given command.
Options:
--help Show this message and exit.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.
list Query all nodes with optional filtering and ordering.
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.Usage: [OPTIONS] COMMAND [ARGS]...
Inspect AiiDA plugins.
Options:
--help Show this message and exit.
Commands:
list Display a list of all available plugins.Usage: [OPTIONS]
Set up a new profile in a jiffy.
This command aims to make setting up a new profile as easy as possible. It does not
require any services, such as PostgreSQL and RabbitMQ. It intentionally provides only a
limited amount of options to customize the profile and by default does not require any
options to be specified at all. To create a new profile with full control over its
configuration, please use `verdi profile setup` instead.
After running `verdi presto` you can immediately start using AiiDA without additional
setup. The command performs the following actions:
* Create a new profile that is set as the new default
* Create a default user for the profile (email can be configured through the `--email` option)
* Set up the localhost as a `Computer` and configure it
* Set a number of configuration options with sensible defaults
By default the command creates a profile that uses SQLite for the database. It
automatically checks for RabbitMQ running on the localhost, and, if it can connect,
configures that as the broker for the profile. Otherwise, the profile is created without
a broker, in which case some functionality will be unavailable, most notably running the
daemon and submitting processes to said daemon.
When the `--use-postgres` flag is toggled, the command tries to connect to the
PostgreSQL server with connection paramaters taken from the `--postgres-hostname`,
`--postgres-port`, `--postgres-username` and `--postgres-password` options. It uses
these credentials to try and automatically create a user and database. If successful,
the newly created profile uses the new PostgreSQL database instead of SQLite.
Options:
-p, --profile-name TEXT Name of the profile. By default, a unique name starting
with `presto` is automatically generated. [default:
(dynamic)]
--email TEXT Email of the default user. [default: (dynamic)]
--use-postgres When toggled on, the profile uses a PostgreSQL database
instead of an SQLite one. The connection details to the
PostgreSQL server can be configured with the relevant
options. The command attempts to automatically create a
user and database to use for the profile, but this can
fail depending on the configuration of the server.
--postgres-hostname TEXT The hostname of the PostgreSQL server.
--postgres-port INTEGER The port of the PostgreSQL server.
--postgres-username TEXT The username of the PostgreSQL user that is authorized
to create new databases.
--postgres-password TEXT The password of the PostgreSQL user that is authorized
to create new databases.
-n, --non-interactive / -I, --interactive
Never prompt, such as for sudo password. [default:
(--interactive)]
--help Show this message and exit.Usage: [OPTIONS] COMMAND [ARGS]...
Inspect and manage processes.
Options:
--help Show this message and exit.
Commands:
call-root Show root process of processes.
dump Dump process input and output files to disk.
kill Kill running processes.
list Show a list of processes.
pause Pause running processes.
play Play (unpause) paused processes.
repair Automatically repair all stuck processes.
report Show the log report of processes.
show Show details of processes.
status Show the status of processes.
watch Watch the state transitions of processes.Usage: [OPTIONS] COMMAND [ARGS]...
Inspect and manage the configured profiles.
Options:
--help Show this message and exit.
Commands:
configure-rabbitmq Configure RabbitMQ for a profile.
delete Delete one or more profiles.
list Display a list of all available profiles.
set-default Set a profile as the default profile.
setdefault (Deprecated) Set a profile as the default profile.
setup Set up a new profile.
show Show details for a profile.Usage: [OPTIONS]
(Deprecated) Setup a new profile in a fully automated fashion.
Options:
-n, --non-interactive / -I, --interactive
In non-interactive mode, the CLI never prompts for
options but simply uses default values for options that
define one. In interactive mode, the CLI will prompt for
each interactive option. [default: (--interactive)]
--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_psycopg]
Engine to use to connect to the database. [required]
--db-backend [core.psql_dos] Database backend to use. [required]
--db-host HOSTNAME Database server host. Leave empty for "peer"
authentication. [required]
--db-port INTEGER Database server port. [required]
--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.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.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.Usage: [OPTIONS]
(Deprecated) Setup a new profile (use `verdi profile setup`).
This method assumes that an empty PSQL database has been created and that the database
user has been created.
Options:
-n, --non-interactive / -I, --interactive
In non-interactive mode, the CLI never prompts for
options but simply uses default values for options that
define one. In interactive mode, the CLI will prompt for
each interactive option. [default: (--interactive)]
--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_psycopg]
Engine to use to connect to the database. [required]
--db-backend [core.psql_dos] Database backend to use. [required]
--db-host HOSTNAME Database server host. Leave empty for "peer"
authentication. [required]
--db-port INTEGER Database server port. [required]
--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. [required]
--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.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.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.Usage: [OPTIONS] COMMAND [ARGS]...
Inspect and manage stored data for a profile.
Options:
--help Show this message and exit.
Commands:
backup Backup the data storage of a profile.
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.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.