The command line interface of AiiDA.
aiida.cmdline.
AbsolutePathParamType
Bases: click.types.Path
click.types.Path
The ParamType for identifying absolute Paths (derived from click.Path).
__module__
__repr__
Return repr(self).
convert
Converts the value. This is not invoked for values that are None (the missing value).
name
the descriptive name of this type
CalculationParamType
Bases: aiida.cmdline.params.types.identifier.IdentifierParamType
aiida.cmdline.params.types.identifier.IdentifierParamType
The ParamType for identifying Calculation entities or its subclasses
__abstractmethods__
_abc_impl
orm_class_loader
Return the orm entity loader class, which should be a subclass of OrmEntityLoader. This class is supposed to be used to load the entity for a given identifier
the orm entity loader class for this ParamType
CodeParamType
The ParamType for identifying Code entities or its subclasses
__init__
Construct the param type
sub_classes – specify a tuple of Code sub classes to narrow the query set
entry_point – specify an optional calculation entry point that the Code’s input plugin should match
complete
Return possible completions based on an incomplete value.
list of tuples of valid entry points (matching incomplete) and a description
Attempt to convert the given value to an instance of the orm class using the orm class loader.
the loaded orm entity
click.BadParameter – if the value is ambiguous and leads to multiple entities
click.BadParameter – if the value cannot be mapped onto any existing instance
RuntimeError – if the defined orm class loader is not a subclass of the OrmEntityLoader class
ComputerParamType
The ParamType for identifying Computer entities or its subclasses
ConfigOptionParamType
Bases: click.types.StringParamType
click.types.StringParamType
ParamType for configuration options.
Return possible completions based on an incomplete value
DataParamType
The ParamType for identifying Data entities or its subclasses
FileOrUrl
Bases: click.types.File
click.types.File
Extension of click’s File-type to include URLs.
Returns handle either to local file or to remote file fetched from URL.
timeout_seconds (int) – Maximum timeout accepted for URL response. Must be an integer in the range [0;60].
Initialize self. See help(type(self)) for accurate signature.
Return file handle.
get_url
Retrieve file from URL.
GroupParamType
The ParamType for identifying Group entities or its subclasses.
Construct the parameter type.
The sub_classes argument can be used to narrow the set of subclasses of Group that should be matched. By default all subclasses of Group will be matched, otherwise it is restricted to the subclasses that correspond to the entry point names in the tuple of sub_classes.
To prevent having to load the database environment at import time, the actual loading of the entry points is deferred until the call to convert is made. This is to keep the command line autocompletion light and responsive. The entry point strings will be validated, however, to see if they correspond to known entry points.
create_if_not_exist – boolean, if True, will create the group if it does not yet exist. By default the group created will be of class Group, unless another subclass is specified through sub_classes. Note that in this case, only a single entry point name can be specified
sub_classes – a tuple of entry point strings from the aiida.groups entry point group.
Return the orm entity loader class, which should be a subclass of OrmEntityLoader.
This class is supposed to be used to load the entity for a given identifier.
IdentifierParamType
Bases: click.types.ParamType, abc.ABC
click.types.ParamType
abc.ABC
An extension of click.ParamType for a generic identifier parameter. In AiiDA, orm entities can often be identified by either their ID, UUID or optionally some LABEL identifier. This parameter type implements the convert method, which attempts to convert a value passed to the command for a parameter with this type, to an orm entity. The actual loading of the entity is delegated to the orm class loader. Subclasses of this parameter type should implement the orm_class_loader method to return the appropriate orm class loader, which should be a subclass of aiida.orm.utils.loaders.OrmEntityLoader for the corresponding orm class.
Construct the parameter type, optionally specifying a tuple of entry points that reference classes that should be a sub class of the base orm class of the orm class loader. The classes pointed to by these entry points will be passed to the OrmEntityLoader when converting an identifier and they will restrict the query set by demanding that the class of the corresponding entity matches these sub classes.
To prevent having to load the database environment at import time, the actual loading of the entry points is deferred until the call to convert is made. This is to keep the command line autocompletion light and responsive. The entry point strings will be validated, however, to see if the correspond to known entry points.
sub_classes – a tuple of entry point strings that can narrow the set of orm classes that values will be mapped upon. These classes have to be strict sub classes of the base orm class defined by the orm class loader
LazyChoice
Bases: click.types.ParamType
This is a delegate of click’s Choice ParamType that evaluates the set of choices lazily. This is useful if the choices set requires an import that is slow. Using the vanilla click.Choice will call this on import which will slow down verdi and its autocomplete. This type will generate the choices set lazily through the choices property
_click_choice
Get the internal click Choice object that we delegate functionality to. Will construct it lazily if necessary.
The click Choice
click.Choice
choices
get_metavar
Returns the metavar default for this param if it provides one.
get_missing_message
Optionally might return extra information about a missing parameter.
New in version 2.0.
MpirunCommandParamType
Custom click param type for mpirun-command
Note
requires also a scheduler to be provided, and the scheduler must be called first!
Validate that the provided ‘mpirun’ command only contains replacement fields (e.g. {tot_num_mpiprocs}) that are known.
{tot_num_mpiprocs}
Return a list of arguments (by using ‘value.strip().split(” “) on the input string)
MultipleValueParamType
An extension of click.ParamType that can parse multiple values for a given ParamType
NodeParamType
The ParamType for identifying Node entities or its subclasses
NonEmptyStringParamType
Parameter whose values have to be string and non-empty.
PathOrUrl
Extension of click’s Path-type to include URLs.
A PathOrUrl can either be a click.Path-type or a URL.
checks_url
Check whether URL is reachable within timeout.
Overwrite convert Check first if click.Path-type, then check if URL.
PluginParamType
Bases: aiida.cmdline.params.types.strings.EntryPointType
aiida.cmdline.params.types.strings.EntryPointType
AiiDA Plugin name parameter type.
group – string or tuple of strings, where each is a valid entry point group. Adding the aiida. prefix is optional. If it is not detected it will be prepended internally.
load – when set to True, convert will not return the entry point, but the loaded entry point
Usage:
click.option(... type=PluginParamType(group='aiida.calculations')
or:
click.option(... type=PluginParamType(group=('calculations', 'data'))
Validate that group is either a string or a tuple of valid entry point groups, or if it is not specified use the tuple of all recognized entry point groups.
_init_entry_points
Populate entry point information that will be used later on. This should only be called once in the constructor after setting self.groups because the groups should not be changed after instantiation
Convert the string value to an entry point instance, if the value can be successfully parsed into an actual entry point. Will raise click.BadParameter if validation fails.
get_entry_point_from_string
Validate a given entry point string, which means that it should have a valid entry point string format and that the entry point unambiguously corresponds to an entry point in the groups configured for this instance of PluginParameterType.
the entry point if valid
ValueError if the entry point string is invalid
get_possibilities
Return a list of plugins starting with incomplete
get_valid_arguments
Return a list of all available plugins for the groups configured for this PluginParamType instance. If the entry point names are not unique, because there are multiple groups that contain an entry point that has an identical name, we need to prefix the names with the full group name
list of valid entry point strings
groups
has_potential_ambiguity
Returns whether the set of supported entry point groups can lead to ambiguity when only an entry point name is specified. This will happen if one ore more groups share an entry point with a common name
ProcessParamType
The ParamType for identifying ProcessNode entities or its subclasses
ProfileParamType
Bases: aiida.cmdline.params.types.strings.LabelStringType
aiida.cmdline.params.types.strings.LabelStringType
The profile parameter type for click.
Attempt to match the given value to a valid profile.
deconvert_default
ShebangParamType
Custom click param type for shebang line
TestModuleParamType
Parameter type to represent a unittest module.
Defunct - remove when removing the “verdi devel tests” command.
UserParamType
The user parameter type for click. Can get or create a user.
create – If the user does not exist, create a new instance (unstored).
WorkflowParamType
The ParamType for identifying WorkflowNode entities or its subclasses
dbenv
Loads the dbenv for a specific region of code, does not unload afterwards
Only use when it makes it possible to avoid loading the dbenv for certain code paths
Good Example:
# do this @click.command() @click.option('--with-db', is_flag=True) def profile_info(with_db): # read the config file click.echo(profile_config) # load the db only if necessary if with_db: with dbenv(): # gather db statistics for the profile click.echo(db_statistics)
This will run very fast without the –with-db flag and slow only if database info is requested
Do not use if you will end up loading the dbenv anyway
Bad Example:
# don't do this def my_function(): with dbenv(): # read from db # do db unrelated stuff
echo
Print a normal message through click’s echo function to stdout
message – the string representing the message to print
bold – whether to print the message in bold
nl – whether to print a newline at the end of the message
err – whether to print to stderr
echo_critical
Print an error message through click’s echo function to stdout, prefixed with ‘Critical:’ and then calls sys.exit with the given exit_status.
This should be used to print messages for errors that cannot be recovered from and so the script should be directly terminated with a non-zero exit status to indicate that the command failed
echo_dictionary
Print the given dictionary to stdout in the given format
dictionary – the dictionary
fmt – the format to use for printing
echo_error
Print an error message through click’s echo function to stdout, prefixed with ‘Error:’
echo_highlight
Print a highlighted message to stdout
color – a color from COLORS
echo_info
Print an info message through click’s echo function to stdout, prefixed with ‘Info:’
echo_success
Print a success message through click’s echo function to stdout, prefixed with ‘Success:’
bold – whether to print the message in bold include a newline character
echo_warning
Print a warning message through click’s echo function to stdout, prefixed with ‘Warning:’
graph_traversal_rules
Apply the graph traversal rule options to the command.
only_if_daemon_running
Function decorator for CLI command to print critical error and exit automatically when daemon is not running.
The error printing and exit behavior can be controlled with the decorator keyword arguments. The default message that is printed can be overridden as well as the echo function that is to be used. By default it uses the aiida.cmdline.utils.echo.echo_critical function which automatically aborts the command. The function can be substituted by for example aiida.cmdline.utils.echo.echo_warning to instead print just a warning and continue.
Example:
@only_if_daemon_running(echo_function=echo.echo_warning, message='beware that the daemon is not running') def create_node(): pass
echo_function – echo function to issue the message, should be from aiida.cmdline.utils.echo
message – optional message to override the default message
with_dbenv
Function decorator that will load the database environment only when the function is called.
@with_dbenv() def create_node(): from aiida.orm import Int # note the local import node = Int(1).store()