pyiron_base.jobs.job.extension.executable.Executable

pyiron_base.jobs.job.extension.executable.Executable#

class pyiron_base.jobs.job.extension.executable.Executable(path_binary_codes: List[str] | None = None, codename: str | None = None, module: str | None = None, overwrite_nt_flag: bool = False)[source]#

Bases: HasDict

__init__(path_binary_codes: List[str] | None = None, codename: str | None = None, module: str | None = None, overwrite_nt_flag: bool = False)[source]#

Handle the path to the executable, as well as the version selection.

Parameters:

  • codename (str) – name of the code str

  • path_binary_codes (list) – path to the binary codes as an absolute path

  • overwrite_nt_flag (bool)

Methods

__init__([path_binary_codes, codename, ...])

Handle the path to the executable, as well as the version selection.

from_dict(obj_dict[, version])

Populate the object from the serialized object.

get_input_for_subprocess_call(cores, threads)

Get the input parameters for the subprocess call to execute the job

instantiate(obj_dict[, version])

Create a blank instance of this class.

list_executables()

List all available exectuables in the path_binary_codes for the specified codename.

to_dict()

Reduce the object to a dictionary.

Attributes

accepted_return_codes

accept all of the return codes in this list as the result of a successful run

available_versions

List all available exectuables in the path_binary_codes for the specified codename.

default_version

Default Version of the Available Executables i.e. specifically defined.

executable_path

Get the executable path

mpi

Check if the message processing interface is activated.

version

Version of the Executable
property accepted_return_codes: List[int]#

accept all of the return codes in this list as the result of a successful run

Type:

list of int

property available_versions: List[str]#

List all available exectuables in the path_binary_codes for the specified codename.

Returns:

list of the available version

Return type:

list

property default_version: str#

Default Version of the Available Executables i.e. specifically defined

Returns:

default_version

Return type:

str

property executable_path: str#

Get the executable path

Returns:

absolute path

Return type:

str

from_dict(obj_dict: dict, version: str = None)#

Populate the object from the serialized object.

Parameters:

  • obj_dict (dict) – data previously returned from to_dict()

  • version (str) – version tag written together with the data

get_input_for_subprocess_call(cores: int, threads: int, gpus: int | None = None) → Tuple[str | List[str], bool][source]#

Get the input parameters for the subprocess call to execute the job

Parameters:

  • cores (int) – number of cores

  • threads (int) – number of threads

  • gpus (int/None) – number of gpus

Returns:

executable and shell variables

Return type:

str/ list, boolean

classmethod instantiate(obj_dict: dict, version: str = None) → Executable[source]#

Create a blank instance of this class.

This can be used when some values are already necessary for the objects __init__.

Parameters:

  • obj_dict (dict) – data previously returned from to_dict()

  • version (str) – version tag written together with the data

Returns:

a blank instance of the object that is sufficiently initialized to call _from_dict() on it

Return type:

object

list_executables() → List[str][source]#

List all available exectuables in the path_binary_codes for the specified codename.

Returns:

list of the available version

Return type:

list

property mpi: bool#

Check if the message processing interface is activated.

Returns:

[True/False]

Return type:

bool

to_dict() → dict#

Reduce the object to a dictionary.

Returns:

serialized state of this object

Return type:

dict

property version: str#

Version of the Executable

Returns:

version

Return type:

str

Contents