aiida.cmdline package¶
The command line interface of AiiDA.
-
aiida.cmdline.
graph_traversal_rules
(rules)[source]¶ Apply the graph traversal rule options to the command.
-
class
aiida.cmdline.
LazyChoice
(get_choices)[source]¶ 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
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__module__
= 'aiida.cmdline.params.types.choice'¶
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property
_click_choice
¶ Get the internal click Choice object that we delegate functionality to. Will construct it lazily if necessary.
- Returns
The click Choice
- Return type
click.Choice
-
property
choices
¶
-
convert
(value, param, ctx)[source]¶ Converts the value. This is not invoked for values that are None (the missing value).
-
get_missing_message
(param)[source]¶ Optionally might return extra information about a missing parameter.
New in version 2.0.
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name
= 'choice'¶
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class
aiida.cmdline.
IdentifierParamType
(sub_classes=None)[source]¶ Bases:
click.types.ParamType
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.
-
__abstractmethods__
= frozenset({'orm_class_loader'})¶
-
__init__
(sub_classes=None)[source]¶ 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.
- Parameters
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
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__module__
= 'aiida.cmdline.params.types.identifier'¶
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_abc_impl
= <_abc_data object>¶
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convert
(value, param, ctx)[source]¶ Attempt to convert the given value to an instance of the orm class using the orm class loader.
- Returns
the loaded orm entity
- Raises
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
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abstract property
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
- Returns
the orm entity loader class for this ParamType
-
-
class
aiida.cmdline.
CalculationParamType
(sub_classes=None)[source]¶ Bases:
aiida.cmdline.params.types.identifier.IdentifierParamType
The ParamType for identifying Calculation entities or its subclasses
-
__abstractmethods__
= frozenset({})¶
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__module__
= 'aiida.cmdline.params.types.calculation'¶
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_abc_impl
= <_abc_data object>¶
-
name
= 'Calculation'¶
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property
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
- Returns
the orm entity loader class for this ParamType
-
-
class
aiida.cmdline.
CodeParamType
(sub_classes=None, entry_point=None)[source]¶ Bases:
aiida.cmdline.params.types.identifier.IdentifierParamType
The ParamType for identifying Code entities or its subclasses
-
__abstractmethods__
= frozenset({})¶
-
__init__
(sub_classes=None, entry_point=None)[source]¶ Construct the param type
- Parameters
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
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__module__
= 'aiida.cmdline.params.types.code'¶
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_abc_impl
= <_abc_data object>¶
-
convert
(value, param, ctx)[source]¶ Attempt to convert the given value to an instance of the orm class using the orm class loader.
- Returns
the loaded orm entity
- Raises
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
-
name
= 'Code'¶
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property
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
- Returns
the orm entity loader class for this ParamType
-
-
class
aiida.cmdline.
ComputerParamType
(sub_classes=None)[source]¶ Bases:
aiida.cmdline.params.types.identifier.IdentifierParamType
The ParamType for identifying Computer entities or its subclasses
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.cmdline.params.types.computer'¶
-
_abc_impl
= <_abc_data object>¶
-
complete
(ctx, incomplete)[source]¶ Return possible completions based on an incomplete value.
- Returns
list of tuples of valid entry points (matching incomplete) and a description
-
name
= 'Computer'¶
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property
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
- Returns
the orm entity loader class for this ParamType
-
-
class
aiida.cmdline.
ConfigOptionParamType
[source]¶ Bases:
click.types.StringParamType
ParamType for configuration options.
-
__module__
= 'aiida.cmdline.params.types.config'¶
-
complete
(ctx, incomplete)[source]¶ Return possible completions based on an incomplete value
- Returns
list of tuples of valid entry points (matching incomplete) and a description
-
convert
(value, param, ctx)[source]¶ Converts the value. This is not invoked for values that are None (the missing value).
-
name
= 'config option'¶
-
-
class
aiida.cmdline.
DataParamType
(sub_classes=None)[source]¶ Bases:
aiida.cmdline.params.types.identifier.IdentifierParamType
The ParamType for identifying Data entities or its subclasses
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.cmdline.params.types.data'¶
-
_abc_impl
= <_abc_data object>¶
-
name
= 'Data'¶
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property
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
- Returns
the orm entity loader class for this ParamType
-
-
class
aiida.cmdline.
GroupParamType
(create_if_not_exist=False)[source]¶ Bases:
aiida.cmdline.params.types.identifier.IdentifierParamType
The ParamType for identifying Group entities or its subclasses.
-
__abstractmethods__
= frozenset({})¶
-
__init__
(create_if_not_exist=False)[source]¶ 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.
- Parameters
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
-
__module__
= 'aiida.cmdline.params.types.group'¶
-
_abc_impl
= <_abc_data object>¶
-
name
= 'Group'¶
-
property
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
- Returns
the orm entity loader class for this ParamType
-
-
class
aiida.cmdline.
NodeParamType
(sub_classes=None)[source]¶ Bases:
aiida.cmdline.params.types.identifier.IdentifierParamType
The ParamType for identifying Node entities or its subclasses
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.cmdline.params.types.node'¶
-
_abc_impl
= <_abc_data object>¶
-
name
= 'Node'¶
-
property
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
- Returns
the orm entity loader class for this ParamType
-
-
class
aiida.cmdline.
MpirunCommandParamType
[source]¶ Bases:
click.types.StringParamType
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.Return a list of arguments (by using ‘value.strip().split(” “) on the input string)
-
__module__
= 'aiida.cmdline.params.types.computer'¶
-
convert
(value, param, ctx)[source]¶ Converts the value. This is not invoked for values that are None (the missing value).
-
name
= 'mpiruncommandstring'¶
-
-
class
aiida.cmdline.
MultipleValueParamType
(param_type)[source]¶ Bases:
click.types.ParamType
An extension of click.ParamType that can parse multiple values for a given ParamType
-
__module__
= 'aiida.cmdline.params.types.multiple'¶
-
-
class
aiida.cmdline.
NonEmptyStringParamType
[source]¶ Bases:
click.types.StringParamType
Parameter that cannot be an an empty string.
-
__module__
= 'aiida.cmdline.params.types.nonemptystring'¶
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convert
(value, param, ctx)[source]¶ Converts the value. This is not invoked for values that are None (the missing value).
-
name
= 'nonemptystring'¶
-
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class
aiida.cmdline.
PluginParamType
(group=None, load=False, *args, **kwargs)[source]¶ Bases:
click.types.ParamType
AiiDA Plugin name parameter type.
- Parameters
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'))
-
__init__
(group=None, load=False, *args, **kwargs)[source]¶ 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.
-
__module__
= 'aiida.cmdline.params.types.plugin'¶
-
_init_entry_points
()[source]¶ 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
-
complete
(ctx, incomplete)[source]¶ Return possible completions based on an incomplete value
- Returns
list of tuples of valid entry points (matching incomplete) and a description
-
convert
(value, param, ctx)[source]¶ 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
(entry_point_string)[source]¶ 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.
- Returns
the entry point if valid
- Raises
ValueError if the entry point string is invalid
-
get_missing_message
(param)[source]¶ Optionally might return extra information about a missing parameter.
New in version 2.0.
-
get_valid_arguments
()[source]¶ 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
- Returns
list of valid entry point strings
-
property
groups
¶
-
property
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
-
name
= 'plugin'¶
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class
aiida.cmdline.
AbsolutePathParamType
(exists=False, file_okay=True, dir_okay=True, writable=False, readable=True, resolve_path=False, allow_dash=False, path_type=None)[source]¶ Bases:
click.types.Path
The ParamType for identifying absolute Paths (derived from click.Path).
-
__module__
= 'aiida.cmdline.params.types.path'¶
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convert
(value, param, ctx)[source]¶ Converts the value. This is not invoked for values that are None (the missing value).
-
name
= 'AbsolutePath'¶
-
-
class
aiida.cmdline.
ShebangParamType
[source]¶ Bases:
click.types.StringParamType
Custom click param type for shebang line
-
__module__
= 'aiida.cmdline.params.types.computer'¶
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convert
(value, param, ctx)[source]¶ Converts the value. This is not invoked for values that are None (the missing value).
-
name
= 'shebangline'¶
-
-
class
aiida.cmdline.
UserParamType
(create=False)[source]¶ Bases:
click.types.ParamType
The user parameter type for click. Can get or create a user.
-
__init__
(create=False)[source]¶ - Parameters
create – If the user does not exist, create a new instance (unstored).
-
__module__
= 'aiida.cmdline.params.types.user'¶
-
complete
(ctx, incomplete)[source]¶ Return possible completions based on an incomplete value
- Returns
list of tuples of valid entry points (matching incomplete) and a description
-
name
= 'user'¶
-
-
class
aiida.cmdline.
TestModuleParamType
[source]¶ Bases:
click.types.ParamType
Parameter type to represent a unittest module.
-
__module__
= 'aiida.cmdline.params.types.test_module'¶
-
complete
(ctx, incomplete)[source]¶ Return possible completions based on an incomplete value
- Returns
list of tuples of valid entry points (matching incomplete) and a description
-
name
= 'test module'¶
-
-
class
aiida.cmdline.
ProfileParamType
(*args, **kwargs)[source]¶ Bases:
click.types.ParamType
The profile parameter type for click.
-
__module__
= 'aiida.cmdline.params.types.profile'¶
-
complete
(ctx, incomplete)[source]¶ Return possible completions based on an incomplete value
- Returns
list of tuples of valid entry points (matching incomplete) and a description
-
name
= 'profile'¶
-
-
class
aiida.cmdline.
WorkflowParamType
(sub_classes=None)[source]¶ Bases:
aiida.cmdline.params.types.identifier.IdentifierParamType
The ParamType for identifying WorkflowNode entities or its subclasses
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.cmdline.params.types.workflow'¶
-
_abc_impl
= <_abc_data object>¶
-
name
= 'WorkflowNode'¶
-
property
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
- Returns
the orm entity loader class for this ParamType
-
-
class
aiida.cmdline.
ProcessParamType
(sub_classes=None)[source]¶ Bases:
aiida.cmdline.params.types.identifier.IdentifierParamType
The ParamType for identifying ProcessNode entities or its subclasses
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.cmdline.params.types.process'¶
-
_abc_impl
= <_abc_data object>¶
-
name
= 'Process'¶
-
property
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
- Returns
the orm entity loader class for this ParamType
-
-
class
aiida.cmdline.
ImportPath
(timeout_seconds=10, **kwargs)[source]¶ Bases:
click.types.Path
AiiDA extension of Click’s Path-type to include URLs An ImportPath can either be a click.Path-type or a URL. :param timeout_seconds: Timeout time in seconds that a URL response is expected. :value timeout_seconds: Must be an int in the range [0;60], extrema included. If an int outside the range [0;60] is given, the value will be set to the respective extremum value. If any other type than int is given a TypeError will be raised.
-
__init__
(timeout_seconds=10, **kwargs)[source]¶ Initialize self. See help(type(self)) for accurate signature.
-
__module__
= 'aiida.cmdline.params.types.path'¶
-
convert
(value, param, ctx)[source]¶ Overwrite convert Check first if click.Path-type, then check if URL.
-
property
timeout_seconds
¶
-
-
aiida.cmdline.
with_dbenv
()[source]¶ Function decorator that will load the database environment only when the function is called.
Example:
@with_dbenv() def create_node(): from aiida.orm import Int # note the local import node = Int(1).store()
-
aiida.cmdline.
dbenv
()[source]¶ 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
-
aiida.cmdline.
only_if_daemon_running
(echo_function=<function echo_critical>, message=None)[source]¶ 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
- Parameters
echo_function – echo function to issue the message, should be from aiida.cmdline.utils.echo
message – optional message to override the default message
-
aiida.cmdline.
echo
(message, bold=False, nl=True, err=False)[source]¶ Print a normal message through click’s echo function to stdout
- Parameters
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
-
aiida.cmdline.
echo_info
(message, bold=False, nl=True, err=False)[source]¶ Print an info message through click’s echo function to stdout, prefixed with ‘Info:’
- Parameters
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
-
aiida.cmdline.
echo_success
(message, bold=False, nl=True, err=False)[source]¶ Print a success message through click’s echo function to stdout, prefixed with ‘Success:’
- Parameters
message – the string representing the message to print
bold – whether to print the message in bold include a newline character
nl – whether to print a newline at the end of the message
err – whether to print to stderr
-
aiida.cmdline.
echo_warning
(message, bold=False, nl=True, err=False)[source]¶ Print a warning message through click’s echo function to stdout, prefixed with ‘Warning:’
- Parameters
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
-
aiida.cmdline.
echo_error
(message, bold=False, nl=True, err=True)[source]¶ Print an error message through click’s echo function to stdout, prefixed with ‘Error:’
- Parameters
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
-
aiida.cmdline.
echo_critical
(message, bold=False, nl=True, err=True)[source]¶ 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
- Parameters
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