hpcflow.app.WorkflowTemplate

class hpcflow.app.WorkflowTemplate(name, doc=None, tasks=<factory>, loops=<factory>, workflow=None, resources=None, environments=None, env_presets=None, source_file=None, store_kwargs=<factory>, merge_resources=True, merge_envs=True)

Bases: WorkflowTemplate

Class to represent initial parametrisation of a hpcFlow workflow, with limited validation logic.

Parameters:

• name (str) – A string name for the workflow. By default this name will be used in combination with a date-time stamp when generating a persistent workflow from the template.

• tasks (list[Task]) – A list of Task objects to include in the workflow.

• loops (list[Loop]) – A list of Loop objects to include in the workflow.

• workflow (hpcflow.app.Workflow | None) – The associated concrete workflow.

• resources (dict[str, dict] | list[ResourceSpec] | ResourceList) – Template-level resources to apply to all tasks as default values. This can be a dict that maps action scopes to resources (e.g. {“any”: {“num_cores”: 2}}) or a list of ResourceSpec objects, or a ResourceList object.

• environments (Dict[str, Dict[str, Any]] | None) – The execution environments to use.

• env_presets (List[str] | str | None) – The environment presets to use.

• source_file (str | None) – The file this was derived from.

• store_kwargs (Dict | None) – Additional arguments to pass to the persistent data store constructor.

• merge_resources (bool | None) – If True, merge template-level resources into element set resources. If False, template-level resources are ignored.

• merge_envs (bool | None) – Whether to merge the environemtns into task resources.

• doc (List[str] | str | None) –

Methods

from_JSON_file	Load from a JSON file.
from_JSON_string	Load from a JSON string.
from_YAML_file	Load from a YAML file.
from_YAML_string	Load from a YAML string.
from_file	Load from either a YAML or JSON file, depending on the file extension.
from_json_like	Make an instance of this class from JSON (or YAML) data.
to_dict	Serialize this object as a dictionary.
to_json_like	Serialize this object as an object structure that can be trivially converted to JSON.

Attributes

app
doc	Documentation information.
env_presets	The environment presets to use.
environments	The execution environments to use.
merge_envs	Whether to merge the environemtns into task resources.
merge_resources	Whether to merge template-level resources into element set resources.
resources	Template-level resources to apply to all tasks as default values.
source_file	The file this was derived from.
workflow	The associated concrete workflow.
name	A string name for the workflow.
tasks	A list of Task objects to include in the workflow.
loops	A list of Loop objects to include in the workflow.
store_kwargs	Additional arguments to pass to the persistent data store constructor.

app = BaseApp(name='hpcFlow', version='0.2.0a181')

doc: List[str] | str | None = None

Documentation information.

env_presets: str | List[str] | None = None

The environment presets to use.

environments: Dict[str, Dict[str, Any]] | None = None

The execution environments to use.

classmethod from_JSON_file(path, variables=None)

Load from a JSON file.

Parameters:

• path (PathLike) – The path to the JSON file containing the workflow template parametrisation.

• variables (Dict[str, str] | None) – String variables to substitute in the file given by path.

Return type:

WorkflowTemplate

classmethod from_JSON_string(string, variables=None)

Load from a JSON string.

Parameters:

• string (str) – The JSON string containing the workflow template parametrisation.

• variables (Dict[str, str] | None) – String variables to substitute in string.

Return type:

WorkflowTemplate

classmethod from_YAML_file(path, variables=None)

Load from a YAML file.

Parameters:

• path (PathLike) – The path to the YAML file containing the workflow template parametrisation.

• variables (Dict[str, str] | None) – String variables to substitute in the file given by path.

Return type:

WorkflowTemplate

classmethod from_YAML_string(string, variables=None)

Load from a YAML string.

Parameters:

• string (str) – The YAML string containing the workflow template parametrisation.

• variables (Dict[str, str] | None) – String variables to substitute in string.

Return type:

WorkflowTemplate

classmethod from_file(path, template_format=None, variables=None)

Load from either a YAML or JSON file, depending on the file extension.

Parameters:

• path (PathLike) – The path to the file containing the workflow template parametrisation.

• template_format (str | None) – The file format to expect at path. One of “json” or “yaml”, if specified. By default, “yaml”.

• variables (Dict[str, str] | None) – String variables to substitute in the file given by path.

Return type:

WorkflowTemplate

classmethod from_json_like(json_like, shared_data=None)

Make an instance of this class from JSON (or YAML) data.

Parameters:

• json_like (Union[Dict, List]) – The data to deserialise.

• shared_data (Optional[Dict[str, ObjectList]]) – Shared context data.

Return type:

The deserialised object.

loops: List[app.Loop] | None

A list of Loop objects to include in the workflow.

merge_envs: bool | None = True

Whether to merge the environemtns into task resources.

merge_resources: bool | None = True

Whether to merge template-level resources into element set resources.

name: str

A string name for the workflow.

resources: Dict[str, Dict] | None = None

Template-level resources to apply to all tasks as default values.

source_file: str | None = None

The file this was derived from.

store_kwargs: Dict | None

Additional arguments to pass to the persistent data store constructor.

tasks: List[app.Task] | None

A list of Task objects to include in the workflow.

to_dict()

Serialize this object as a dictionary.

to_json_like(dct=None, shared_data=None, exclude=None, path=None)

Serialize this object as an object structure that can be trivially converted to JSON. Note that YAML can also be produced from the result of this method; it just requires a different final serialization step.

workflow: app.Workflow | None = None

The associated concrete workflow.