executorlib 0.0.10__tar.gz → 0.0.11__tar.gz

{executorlib-0.0.10/executorlib.egg-info → executorlib-0.0.11}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: executorlib
-Version: 0.0.10
+Version: 0.0.11
 Summary: Scale serial and MPI-parallel python functions over hundreds of compute nodes all from within a jupyter notebook or serial python process.
 Author-email: Jan Janssen <janssen@lanl.gov>
 License: BSD 3-Clause License
@@ -60,7 +60,7 @@ Requires-Dist: networkx<=3.4.2,>=2.8.8; extra == "graph"
 Provides-Extra: graphnotebook
 Requires-Dist: pygraphviz<=1.14,>=1.10; extra == "graphnotebook"
 Requires-Dist: networkx<=3.4.2,>=2.8.8; extra == "graphnotebook"
-Requires-Dist: ipython<=8.31.0,>=7.33.0; extra == "graphnotebook"
+Requires-Dist: ipython<=8.32.0,>=7.33.0; extra == "graphnotebook"
 Provides-Extra: mpi
 Requires-Dist: mpi4py<=4.0.1,>=3.1.4; extra == "mpi"
 Provides-Extra: submission
@@ -72,7 +72,7 @@ Requires-Dist: pysqa==0.2.3; extra == "all"
 Requires-Dist: h5py<=3.12.1,>=3.6.0; extra == "all"
 Requires-Dist: pygraphviz<=1.14,>=1.10; extra == "all"
 Requires-Dist: networkx<=3.4.2,>=2.8.8; extra == "all"
-Requires-Dist: ipython<=8.31.0,>=7.33.0; extra == "all"
+Requires-Dist: ipython<=8.32.0,>=7.33.0; extra == "all"
 
 # executorlib
 [![Unittests](https://github.com/pyiron/executorlib/actions/workflows/unittest-openmpi.yml/badge.svg)](https://github.com/pyiron/executorlib/actions/workflows/unittest-openmpi.yml)

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/_version.py

@@ -8,11 +8,11 @@ import json
 
 version_json = '''
 {
- "date": "2025-02-01T14:41:16+0100",
+ "date": "2025-02-03T20:15:36+0100",
  "dirty": true,
  "error": null,
- "full-revisionid": "2a5c109632ab691cd7e4309ca43a29354424b091",
- "version": "0.0.10"
+ "full-revisionid": "11d44cc6f9a0f096fb8b95e72c6b28f3b1994146",
+ "version": "0.0.11"
 }
 '''  # END VERSION_JSON
 

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/backend/cache_parallel.py

@@ -1,7 +1,6 @@
 import pickle
 import sys
 import time
-from typing import Any
 
 import cloudpickle
 
@@ -40,10 +39,7 @@ def main() -> None:
         apply_dict = backend_load_file(file_name=file_name)
     apply_dict = MPI.COMM_WORLD.bcast(apply_dict, root=0)
     output = apply_dict["fn"].__call__(*apply_dict["args"], **apply_dict["kwargs"])
-    if mpi_size_larger_one:
-        result = MPI.COMM_WORLD.gather(output, root=0)
-    else:
-        result = output
+    result = MPI.COMM_WORLD.gather(output, root=0) if mpi_size_larger_one else output
     if mpi_rank_zero:
         backend_write_file(
             file_name=file_name,

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/backend/interactive_parallel.py

@@ -57,17 +57,17 @@ def main() -> None:
         input_dict = MPI.COMM_WORLD.bcast(input_dict, root=0)
 
         # Parse input
-        if "shutdown" in input_dict.keys() and input_dict["shutdown"]:
+        if "shutdown" in input_dict and input_dict["shutdown"]:
             if mpi_rank_zero:
                 interface_send(socket=socket, result_dict={"result": True})
                 interface_shutdown(socket=socket, context=context)
             MPI.COMM_WORLD.Barrier()
             break
         elif (
-            "fn" in input_dict.keys()
-            and "init" not in input_dict.keys()
-            and "args" in input_dict.keys()
-            and "kwargs" in input_dict.keys()
+            "fn" in input_dict
+            and "init" not in input_dict
+            and "args" in input_dict
+            and "kwargs" in input_dict
         ):
             # Execute function
             try:
@@ -87,10 +87,10 @@ def main() -> None:
                 if mpi_rank_zero:
                     interface_send(socket=socket, result_dict={"result": output_reply})
         elif (
-            "init" in input_dict.keys()
+            "init" in input_dict
             and input_dict["init"]
-            and "args" in input_dict.keys()
-            and "kwargs" in input_dict.keys()
+            and "args" in input_dict
+            and "kwargs" in input_dict
         ):
             memory = call_funct(input_dict=input_dict, funct=None)
 

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/backend/interactive_serial.py

@@ -1,6 +1,6 @@
 import sys
 from os.path import abspath
-from typing import List, Optional
+from typing import Optional
 
 from executorlib.standalone.interactive.backend import call_funct, parse_arguments
 from executorlib.standalone.interactive.communication import (
@@ -11,7 +11,7 @@ from executorlib.standalone.interactive.communication import (
 )
 
 
-def main(argument_lst: Optional[List[str]] = None):
+def main(argument_lst: Optional[list[str]] = None):
     """
     The main function of the program.
 
@@ -40,15 +40,15 @@ def main(argument_lst: Optional[List[str]] = None):
         input_dict = interface_receive(socket=socket)
 
         # Parse input
-        if "shutdown" in input_dict.keys() and input_dict["shutdown"]:
+        if "shutdown" in input_dict and input_dict["shutdown"]:
             interface_send(socket=socket, result_dict={"result": True})
             interface_shutdown(socket=socket, context=context)
             break
         elif (
-            "fn" in input_dict.keys()
-            and "init" not in input_dict.keys()
-            and "args" in input_dict.keys()
-            and "kwargs" in input_dict.keys()
+            "fn" in input_dict
+            and "init" not in input_dict
+            and "args" in input_dict
+            and "kwargs" in input_dict
         ):
             # Execute function
             try:
@@ -62,10 +62,10 @@ def main(argument_lst: Optional[List[str]] = None):
                 # Send output
                 interface_send(socket=socket, result_dict={"result": output})
         elif (
-            "init" in input_dict.keys()
+            "init" in input_dict
             and input_dict["init"]
-            and "args" in input_dict.keys()
-            and "kwargs" in input_dict.keys()
+            and "args" in input_dict
+            and "kwargs" in input_dict
         ):
             memory = call_funct(input_dict=input_dict, funct=None)
 

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/base/executor.py

@@ -1,3 +1,4 @@
+import contextlib
 import queue
 from concurrent.futures import (
     Executor as FutureExecutor,
@@ -5,7 +6,7 @@ from concurrent.futures import (
 from concurrent.futures import (
     Future,
 )
-from typing import Callable, List, Optional, Union
+from typing import Callable, Optional, Union
 
 from executorlib.standalone.inputcheck import check_resource_dict
 from executorlib.standalone.queue import cancel_items_in_queue
@@ -28,7 +29,7 @@ class ExecutorBase(FutureExecutor):
         cloudpickle_register(ind=3)
         self._max_cores = max_cores
         self._future_queue: Optional[queue.Queue] = queue.Queue()
-        self._process: Optional[Union[RaisingThread, List[RaisingThread]]] = None
+        self._process: Optional[Union[RaisingThread, list[RaisingThread]]] = None
 
     @property
     def info(self) -> Optional[dict]:
@@ -40,13 +41,13 @@ class ExecutorBase(FutureExecutor):
         """
         if self._process is not None and isinstance(self._process, list):
             meta_data_dict = self._process[0].get_kwargs().copy()
-            if "future_queue" in meta_data_dict.keys():
+            if "future_queue" in meta_data_dict:
                 del meta_data_dict["future_queue"]
             meta_data_dict["max_workers"] = len(self._process)
             return meta_data_dict
         elif self._process is not None:
             meta_data_dict = self._process.get_kwargs().copy()
-            if "future_queue" in meta_data_dict.keys():
+            if "future_queue" in meta_data_dict:
                 del meta_data_dict["future_queue"]
             return meta_data_dict
         else:
@@ -62,7 +63,13 @@ class ExecutorBase(FutureExecutor):
         """
         return self._future_queue
 
-    def submit(self, fn: Callable, *args, resource_dict: dict = {}, **kwargs) -> Future:  # type: ignore
+    def submit(  # type: ignore
+        self,
+        fn: Callable,
+        *args,
+        resource_dict: Optional[dict] = None,
+        **kwargs,
+    ) -> Future:
         """
         Submits a callable to be executed with the given arguments.
 
@@ -87,7 +94,9 @@ class ExecutorBase(FutureExecutor):
         Returns:
             Future: A Future representing the given call.
         """
-        cores = resource_dict.get("cores", None)
+        if resource_dict is None:
+            resource_dict = {}
+        cores = resource_dict.get("cores")
         if (
             cores is not None
             and self._max_cores is not None
@@ -161,7 +170,5 @@ class ExecutorBase(FutureExecutor):
         """
         Clean-up the resources associated with the Executor.
         """
-        try:
+        with contextlib.suppress(AttributeError, RuntimeError):
             self.shutdown(wait=False)
-        except (AttributeError, RuntimeError):
-            pass

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/cache/queue_spawner.py

@@ -1,6 +1,6 @@
 import os
 import subprocess
-from typing import List, Optional, Tuple, Union
+from typing import Optional, Union
 
 from pysqa import QueueAdapter
 
@@ -10,7 +10,7 @@ from executorlib.standalone.inputcheck import check_file_exists
 
 def execute_with_pysqa(
     command: list,
-    task_dependent_lst: list[int] = [],
+    task_dependent_lst: Optional[list[int]] = None,
     file_name: Optional[str] = None,
     resource_dict: Optional[dict] = None,
     config_directory: Optional[str] = None,
@@ -35,6 +35,8 @@ def execute_with_pysqa(
     Returns:
         int: queuing system ID
     """
+    if task_dependent_lst is None:
+        task_dependent_lst = []
     check_file_exists(file_name=file_name)
     queue_id = get_queue_id(file_name=file_name)
     qa = QueueAdapter(
@@ -79,7 +81,7 @@ def _pysqa_execute_command(
     split_output: bool = True,
     shell: bool = False,
     error_filename: str = "pysqa.err",
-) -> Union[str, List[str]]:
+) -> Union[str, list[str]]:
     """
     A wrapper around the subprocess.check_output function. Modified from pysqa to raise an exception if the subprocess
     fails to submit the job to the queue.

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/cache/shared.py

@@ -1,9 +1,10 @@
+import contextlib
 import importlib.util
 import os
 import queue
 import sys
 from concurrent.futures import Future
-from typing import Any, Callable, Optional, Tuple
+from typing import Any, Callable, Optional
 
 from executorlib.standalone.command import get_command_path
 from executorlib.standalone.hdf import dump, get_output
@@ -79,15 +80,9 @@ def execute_tasks_h5(
     file_name_dict: dict = {}
     while True:
         task_dict = None
-        try:
+        with contextlib.suppress(queue.Empty):
             task_dict = future_queue.get_nowait()
-        except queue.Empty:
-            pass
-        if (
-            task_dict is not None
-            and "shutdown" in task_dict.keys()
-            and task_dict["shutdown"]
-        ):
+        if task_dict is not None and "shutdown" in task_dict and task_dict["shutdown"]:
             if terminate_function is not None:
                 for task in process_dict.values():
                     terminate_function(task=task)
@@ -110,7 +105,7 @@ def execute_tasks_h5(
                 fn_kwargs=task_kwargs,
                 resource_dict=task_resource_dict,
             )
-            if task_key not in memory_dict.keys():
+            if task_key not in memory_dict:
                 if task_key + ".h5out" not in os.listdir(cache_directory):
                     file_name = os.path.join(cache_directory, task_key + ".h5in")
                     dump(file_name=file_name, data_dict=data_dict)
@@ -204,7 +199,7 @@ def _check_task_output(
 
 def _convert_args_and_kwargs(
     task_dict: dict, memory_dict: dict, file_name_dict: dict
-) -> Tuple[list, dict, list]:
+) -> tuple[list, dict, list]:
     """
     Convert the arguments and keyword arguments in a task dictionary to the appropriate types.
 

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/cache/subprocess_spawner.py

@@ -7,7 +7,7 @@ from executorlib.standalone.inputcheck import check_file_exists
 
 def execute_in_subprocess(
     command: list,
-    task_dependent_lst: list = [],
+    task_dependent_lst: Optional[list] = None,
     file_name: Optional[str] = None,
     resource_dict: Optional[dict] = None,
     config_directory: Optional[str] = None,
@@ -33,6 +33,8 @@ def execute_in_subprocess(
         subprocess.Popen: The subprocess object.
 
     """
+    if task_dependent_lst is None:
+        task_dependent_lst = []
     check_file_exists(file_name=file_name)
     while len(task_dependent_lst) > 0:
         task_dependent_lst = [
@@ -46,10 +48,7 @@ def execute_in_subprocess(
         raise ValueError("backend parameter is not supported for subprocess spawner.")
     if resource_dict is None:
         resource_dict = {}
-    if "cwd" in resource_dict:
-        cwd = resource_dict["cwd"]
-    else:
-        cwd = cache_directory
+    cwd = resource_dict.get("cwd", cache_directory)
     return subprocess.Popen(command, universal_newlines=True, cwd=cwd)
 
 

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/interactive/create.py

@@ -35,7 +35,7 @@ def create_executor(
     backend: str = "local",
     max_cores: Optional[int] = None,
     cache_directory: Optional[str] = None,
-    resource_dict: dict = {},
+    resource_dict: Optional[dict] = None,
     flux_executor=None,
     flux_executor_pmi_mode: Optional[str] = None,
     flux_executor_nesting: bool = False,
@@ -83,6 +83,8 @@ def create_executor(
                                     of the individual function.
         init_function (None): optional function to preset arguments for functions which are submitted later
     """
+    if resource_dict is None:
+        resource_dict = {}
     if flux_executor is not None and backend != "flux_allocation":
         backend = "flux_allocation"
     if backend == "flux_allocation":
@@ -149,7 +151,7 @@ def create_flux_allocation_executor(
     max_workers: Optional[int] = None,
     max_cores: Optional[int] = None,
     cache_directory: Optional[str] = None,
-    resource_dict: dict = {},
+    resource_dict: Optional[dict] = None,
     flux_executor=None,
     flux_executor_pmi_mode: Optional[str] = None,
     flux_executor_nesting: bool = False,
@@ -160,6 +162,8 @@ def create_flux_allocation_executor(
 ) -> Union[InteractiveStepExecutor, InteractiveExecutor]:
     check_init_function(block_allocation=block_allocation, init_function=init_function)
     check_pmi(backend="flux_allocation", pmi=flux_executor_pmi_mode)
+    if resource_dict is None:
+        resource_dict = {}
     cores_per_worker = resource_dict.get("cores", 1)
     resource_dict["cache_directory"] = cache_directory
     resource_dict["hostname_localhost"] = hostname_localhost
@@ -167,9 +171,9 @@ def create_flux_allocation_executor(
     check_command_line_argument_lst(
         command_line_argument_lst=resource_dict.get("slurm_cmd_args", [])
     )
-    if "openmpi_oversubscribe" in resource_dict.keys():
+    if "openmpi_oversubscribe" in resource_dict:
         del resource_dict["openmpi_oversubscribe"]
-    if "slurm_cmd_args" in resource_dict.keys():
+    if "slurm_cmd_args" in resource_dict:
         del resource_dict["slurm_cmd_args"]
     resource_dict["flux_executor"] = flux_executor
     resource_dict["flux_executor_pmi_mode"] = flux_executor_pmi_mode
@@ -206,12 +210,14 @@ def create_slurm_allocation_executor(
     max_workers: Optional[int] = None,
     max_cores: Optional[int] = None,
     cache_directory: Optional[str] = None,
-    resource_dict: dict = {},
+    resource_dict: Optional[dict] = None,
     hostname_localhost: Optional[bool] = None,
     block_allocation: bool = False,
     init_function: Optional[Callable] = None,
 ) -> Union[InteractiveStepExecutor, InteractiveExecutor]:
     check_init_function(block_allocation=block_allocation, init_function=init_function)
+    if resource_dict is None:
+        resource_dict = {}
     cores_per_worker = resource_dict.get("cores", 1)
     resource_dict["cache_directory"] = cache_directory
     resource_dict["hostname_localhost"] = hostname_localhost
@@ -246,12 +252,14 @@ def create_local_executor(
     max_workers: Optional[int] = None,
     max_cores: Optional[int] = None,
     cache_directory: Optional[str] = None,
-    resource_dict: dict = {},
+    resource_dict: Optional[dict] = None,
     hostname_localhost: Optional[bool] = None,
     block_allocation: bool = False,
     init_function: Optional[Callable] = None,
 ) -> Union[InteractiveStepExecutor, InteractiveExecutor]:
     check_init_function(block_allocation=block_allocation, init_function=init_function)
+    if resource_dict is None:
+        resource_dict = {}
     cores_per_worker = resource_dict.get("cores", 1)
     resource_dict["cache_directory"] = cache_directory
     resource_dict["hostname_localhost"] = hostname_localhost
@@ -260,11 +268,11 @@ def create_local_executor(
     check_command_line_argument_lst(
         command_line_argument_lst=resource_dict.get("slurm_cmd_args", [])
     )
-    if "threads_per_core" in resource_dict.keys():
+    if "threads_per_core" in resource_dict:
         del resource_dict["threads_per_core"]
-    if "gpus_per_core" in resource_dict.keys():
+    if "gpus_per_core" in resource_dict:
         del resource_dict["gpus_per_core"]
-    if "slurm_cmd_args" in resource_dict.keys():
+    if "slurm_cmd_args" in resource_dict:
         del resource_dict["slurm_cmd_args"]
     if block_allocation:
         resource_dict["init_function"] = init_function

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/interactive/executor.py

@@ -1,5 +1,5 @@
 from concurrent.futures import Future
-from typing import Any, Callable, Dict, Optional
+from typing import Any, Callable, Optional
 
 from executorlib.base.executor import ExecutorBase
 from executorlib.interactive.shared import execute_tasks_with_dependencies
@@ -64,7 +64,7 @@ class ExecutorWithDependencies(ExecutorBase):
         self,
         fn: Callable[..., Any],
         *args: Any,
-        resource_dict: Dict[str, Any] = {},
+        resource_dict: Optional[dict[str, Any]] = None,
         **kwargs: Any,
     ) -> Future:
         """
@@ -80,6 +80,8 @@ class ExecutorWithDependencies(ExecutorBase):
             Future: A future object representing the result of the task.
 
         """
+        if resource_dict is None:
+            resource_dict = {}
         if not self._generate_dependency_graph:
             f = super().submit(fn, *args, resource_dict=resource_dict, **kwargs)
         else:

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/interactive/shared.py

@@ -5,7 +5,7 @@ import sys
 import time
 from concurrent.futures import Future
 from time import sleep
-from typing import Any, Callable, List, Optional, Tuple, Union
+from typing import Any, Callable, Optional, Union
 
 from executorlib.base.executor import ExecutorBase, cancel_items_in_queue
 from executorlib.standalone.command import get_command_path
@@ -23,7 +23,9 @@ from executorlib.standalone.thread import RaisingThread
 
 
 class ExecutorBroker(ExecutorBase):
-    def submit(self, fn: Callable, *args, resource_dict: dict = {}, **kwargs) -> Future:  # type: ignore
+    def submit(  # type: ignore
+        self, fn: Callable, *args, resource_dict: Optional[dict] = None, **kwargs
+    ) -> Future:
         """
         Submits a callable to be executed with the given arguments.
 
@@ -48,6 +50,8 @@ class ExecutorBroker(ExecutorBase):
         Returns:
             Future: A Future representing the given call.
         """
+        if resource_dict is None:
+            resource_dict = {}
         check_resource_dict_is_empty(resource_dict=resource_dict)
         check_resource_dict(function=fn)
         f: Future = Future()
@@ -84,7 +88,7 @@ class ExecutorBroker(ExecutorBase):
         self._process = None
         self._future_queue = None
 
-    def _set_process(self, process: List[RaisingThread]):  # type: ignore
+    def _set_process(self, process: list[RaisingThread]):  # type: ignore
         """
         Set the process for the executor.
 
@@ -112,7 +116,7 @@ class InteractiveExecutor(ExecutorBroker):
     Examples:
 
         >>> import numpy as np
-        >>> from executorlib.interactive.executor import InteractiveExecutor
+        >>> from executorlib.interactive.shared import InteractiveExecutor
         >>>
         >>> def calc(i, j, k):
         >>>     from mpi4py import MPI
@@ -133,10 +137,12 @@ class InteractiveExecutor(ExecutorBroker):
     def __init__(
         self,
         max_workers: int = 1,
-        executor_kwargs: dict = {},
+        executor_kwargs: Optional[dict] = None,
         spawner: type[BaseSpawner] = MpiExecSpawner,
     ):
-        super().__init__(max_cores=executor_kwargs.get("max_cores", None))
+        if executor_kwargs is None:
+            executor_kwargs = {}
+        super().__init__(max_cores=executor_kwargs.get("max_cores"))
         executor_kwargs["future_queue"] = self._future_queue
         executor_kwargs["spawner"] = spawner
         executor_kwargs["queue_join_on_shutdown"] = False
@@ -167,7 +173,7 @@ class InteractiveStepExecutor(ExecutorBase):
     Examples:
 
         >>> import numpy as np
-        >>> from executorlib.interactive.executor import InteractiveStepExecutor
+        >>> from executorlib.interactive.shared import InteractiveStepExecutor
         >>>
         >>> def calc(i, j, k):
         >>>     from mpi4py import MPI
@@ -175,7 +181,7 @@ class InteractiveStepExecutor(ExecutorBase):
         >>>     rank = MPI.COMM_WORLD.Get_rank()
         >>>     return np.array([i, j, k]), size, rank
         >>>
-        >>> with PyFluxStepExecutor(max_cores=2) as p:
+        >>> with InteractiveStepExecutor(max_cores=2) as p:
         >>>     fs = p.submit(calc, 2, j=4, k=3, resource_dict={"cores": 2})
         >>>     print(fs.result())
 
@@ -187,10 +193,12 @@ class InteractiveStepExecutor(ExecutorBase):
         self,
         max_cores: Optional[int] = None,
         max_workers: Optional[int] = None,
-        executor_kwargs: dict = {},
+        executor_kwargs: Optional[dict] = None,
         spawner: type[BaseSpawner] = MpiExecSpawner,
     ):
-        super().__init__(max_cores=executor_kwargs.get("max_cores", None))
+        if executor_kwargs is None:
+            executor_kwargs = {}
+        super().__init__(max_cores=executor_kwargs.get("max_cores"))
         executor_kwargs["future_queue"] = self._future_queue
         executor_kwargs["spawner"] = spawner
         executor_kwargs["max_cores"] = max_cores
@@ -244,13 +252,13 @@ def execute_parallel_tasks(
         )
     while True:
         task_dict = future_queue.get()
-        if "shutdown" in task_dict.keys() and task_dict["shutdown"]:
+        if "shutdown" in task_dict and task_dict["shutdown"]:
             interface.shutdown(wait=task_dict["wait"])
             future_queue.task_done()
             if queue_join_on_shutdown:
                 future_queue.join()
             break
-        elif "fn" in task_dict.keys() and "future" in task_dict.keys():
+        elif "fn" in task_dict and "future" in task_dict:
             if cache_directory is None:
                 _execute_task(
                     interface=interface, task_dict=task_dict, future_queue=future_queue
@@ -293,17 +301,17 @@ def execute_separate_tasks(
     active_task_dict: dict = {}
     process_lst: list = []
     qtask_lst: list = []
-    if "cores" not in kwargs.keys():
+    if "cores" not in kwargs:
         kwargs["cores"] = 1
     while True:
         task_dict = future_queue.get()
-        if "shutdown" in task_dict.keys() and task_dict["shutdown"]:
+        if "shutdown" in task_dict and task_dict["shutdown"]:
             if task_dict["wait"]:
                 _ = [process.join() for process in process_lst]
             future_queue.task_done()
             future_queue.join()
             break
-        elif "fn" in task_dict.keys() and "future" in task_dict.keys():
+        elif "fn" in task_dict and "future" in task_dict:
             qtask: queue.Queue = queue.Queue()
             process, active_task_dict = _submit_function_to_separate_process(
                 task_dict=task_dict,
@@ -343,18 +351,14 @@ def execute_tasks_with_dependencies(
         except queue.Empty:
             task_dict = None
         if (  # shutdown the executor
-            task_dict is not None
-            and "shutdown" in task_dict.keys()
-            and task_dict["shutdown"]
+            task_dict is not None and "shutdown" in task_dict and task_dict["shutdown"]
         ):
             executor.shutdown(wait=task_dict["wait"])
             future_queue.task_done()
             future_queue.join()
             break
         elif (  # handle function submitted to the executor
-            task_dict is not None
-            and "fn" in task_dict.keys()
-            and "future" in task_dict.keys()
+            task_dict is not None and "fn" in task_dict and "future" in task_dict
         ):
             future_lst, ready_flag = _get_future_objects_from_input(task_dict=task_dict)
             if len(future_lst) == 0 or ready_flag:
@@ -438,7 +442,7 @@ def _wait_for_free_slots(
     return active_task_dict
 
 
-def _submit_waiting_task(wait_lst: List[dict], executor_queue: queue.Queue) -> list:
+def _submit_waiting_task(wait_lst: list[dict], executor_queue: queue.Queue) -> list:
     """
     Submit the waiting tasks, which future inputs have been completed, to the executor
 
@@ -451,7 +455,7 @@ def _submit_waiting_task(wait_lst: List[dict], executor_queue: queue.Queue) -> l
     """
     wait_tmp_lst = []
     for task_wait_dict in wait_lst:
-        if all([future.done() for future in task_wait_dict["future_lst"]]):
+        if all(future.done() for future in task_wait_dict["future_lst"]):
             del task_wait_dict["future_lst"]
             task_wait_dict["args"], task_wait_dict["kwargs"] = _update_futures_in_input(
                 args=task_wait_dict["args"], kwargs=task_wait_dict["kwargs"]
@@ -462,7 +466,7 @@ def _submit_waiting_task(wait_lst: List[dict], executor_queue: queue.Queue) -> l
     return wait_tmp_lst
 
 
-def _update_futures_in_input(args: tuple, kwargs: dict) -> Tuple[tuple, dict]:
+def _update_futures_in_input(args: tuple, kwargs: dict) -> tuple[tuple, dict]:
     """
     Evaluate future objects in the arguments and keyword arguments by calling future.result()
 
@@ -474,7 +478,7 @@ def _update_futures_in_input(args: tuple, kwargs: dict) -> Tuple[tuple, dict]:
         tuple, dict: arguments and keyword arguments with each future object in them being evaluated
     """
 
-    def get_result(arg: Union[List[Future], Future]) -> Any:
+    def get_result(arg: Union[list[Future], Future]) -> Any:
         if isinstance(arg, Future):
             return arg.result()
         elif isinstance(arg, list):
@@ -552,7 +556,7 @@ def _submit_function_to_separate_process(
     resource_dict = task_dict.pop("resource_dict").copy()
     qtask.put(task_dict)
     qtask.put({"shutdown": True, "wait": True})
-    if "cores" not in resource_dict.keys() or (
+    if "cores" not in resource_dict or (
         resource_dict["cores"] == 1 and executor_kwargs["cores"] >= 1
     ):
         resource_dict["cores"] = executor_kwargs["cores"]

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/interactive/slurm.py

@@ -28,7 +28,7 @@ class SrunSpawner(SubprocessSpawner):
         threads_per_core: int = 1,
         gpus_per_core: int = 0,
         openmpi_oversubscribe: bool = False,
-        slurm_cmd_args: list[str] = [],
+        slurm_cmd_args: Optional[list[str]] = None,
     ):
         """
         Srun interface implementation.
@@ -79,7 +79,7 @@ def generate_slurm_command(
     threads_per_core: int = 1,
     gpus_per_core: int = 0,
     openmpi_oversubscribe: bool = False,
-    slurm_cmd_args: list[str] = [],
+    slurm_cmd_args: Optional[list[str]] = None,
 ) -> list[str]:
     """
     Generate the command list for the SLURM interface.
@@ -104,6 +104,6 @@ def generate_slurm_command(
         command_prepend_lst += ["--gpus-per-task=" + str(gpus_per_core)]
     if openmpi_oversubscribe:
         command_prepend_lst += ["--oversubscribe"]
-    if len(slurm_cmd_args) > 0:
+    if slurm_cmd_args is not None and len(slurm_cmd_args) > 0:
         command_prepend_lst += slurm_cmd_args
     return command_prepend_lst

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/standalone/hdf.py

@@ -1,5 +1,5 @@
 import os
-from typing import Any, List, Optional, Tuple
+from typing import Any, Optional
 
 import cloudpickle
 import h5py
@@ -26,7 +26,7 @@ def dump(file_name: Optional[str], data_dict: dict) -> None:
     if file_name is not None:
         with h5py.File(file_name, "a") as fname:
             for data_key, data_value in data_dict.items():
-                if data_key in group_dict.keys():
+                if data_key in group_dict:
                     fname.create_dataset(
                         name="/" + group_dict[data_key],
                         data=np.void(cloudpickle.dumps(data_value)),
@@ -60,7 +60,7 @@ def load(file_name: str) -> dict:
         return data_dict
 
 
-def get_output(file_name: str) -> Tuple[bool, Any]:
+def get_output(file_name: str) -> tuple[bool, Any]:
     """
     Check if output is available in the HDF5 file
 
@@ -102,7 +102,7 @@ def get_queue_id(file_name: Optional[str]) -> Optional[int]:
     return None
 
 
-def get_cache_data(cache_directory: str) -> List[dict]:
+def get_cache_data(cache_directory: str) -> list[dict]:
     file_lst = []
     for file_name in os.listdir(cache_directory):
         with h5py.File(os.path.join(cache_directory, file_name), "r") as hdf:

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/standalone/inputcheck.py

@@ -2,7 +2,7 @@ import inspect
 import multiprocessing
 import os.path
 from concurrent.futures import Executor
-from typing import Callable, List, Optional
+from typing import Callable, Optional
 
 
 def check_oversubscribe(oversubscribe: bool) -> None:
@@ -16,7 +16,7 @@ def check_oversubscribe(oversubscribe: bool) -> None:
         )
 
 
-def check_command_line_argument_lst(command_line_argument_lst: List[str]) -> None:
+def check_command_line_argument_lst(command_line_argument_lst: list[str]) -> None:
     """
     Check if command_line_argument_lst is not empty and raise a ValueError if it is.
     """
@@ -63,7 +63,7 @@ def check_resource_dict(function: Callable) -> None:
     """
     Check if the function has a parameter named 'resource_dict' and raise a ValueError if it does.
     """
-    if "resource_dict" in inspect.signature(function).parameters.keys():
+    if "resource_dict" in inspect.signature(function).parameters:
         raise ValueError(
             "The parameter resource_dict is used internally in executorlib, "
             "so it cannot be used as a parameter in the submitted functions."
@@ -185,13 +185,12 @@ def validate_number_of_cores(
         return int(max_cores / cores_per_worker)
     elif max_workers is not None:
         return int(max_workers)
+    elif max_cores is None and max_workers is None and not set_local_cores:
+        raise ValueError(
+            "Block allocation requires a fixed set of computational resources. Neither max_cores nor max_workers are defined."
+        )
     else:
-        if max_cores is None and max_workers is None and not set_local_cores:
-            raise ValueError(
-                "Block allocation requires a fixed set of computational resources. Neither max_cores nor max_workers are defined."
-            )
-        else:
-            return multiprocessing.cpu_count()
+        return multiprocessing.cpu_count()
 
 
 def check_file_exists(file_name: Optional[str]):

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/standalone/interactive/backend.py

@@ -94,5 +94,5 @@ def _update_dict_delta(
     return {
         k: v
         for k, v in dict_input.items()
-        if k in keys_possible_lst and k not in dict_output.keys()
+        if k in keys_possible_lst and k not in dict_output
     }

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/standalone/interactive/communication.py

@@ -1,6 +1,6 @@
 import sys
 from socket import gethostname
-from typing import Optional, Tuple
+from typing import Optional
 
 import cloudpickle
 import zmq
@@ -44,7 +44,7 @@ class SocketInterface:
             dict: dictionary with response received from the connected client
         """
         output = cloudpickle.loads(self._socket.recv())
-        if "result" in output.keys():
+        if "result" in output:
             return output["result"]
         else:
             error_type = output["error_type"].split("'")[1]
@@ -161,7 +161,7 @@ def interface_bootup(
     return interface
 
 
-def interface_connect(host: str, port: str) -> Tuple[zmq.Context, zmq.Socket]:
+def interface_connect(host: str, port: str) -> tuple[zmq.Context, zmq.Socket]:
     """
     Connect to an existing SocketInterface instance by providing the hostname and the port as strings.
 

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/standalone/interactive/spawner.py

@@ -1,5 +1,5 @@
 import subprocess
-from abc import ABC
+from abc import ABC, abstractmethod
 from typing import Optional
 
 MPI_COMMAND = "mpiexec"
@@ -24,6 +24,7 @@ class BaseSpawner(ABC):
         self._cores = cores
         self._openmpi_oversubscribe = openmpi_oversubscribe
 
+    @abstractmethod
     def bootup(
         self,
         command_lst: list[str],
@@ -36,6 +37,7 @@ class BaseSpawner(ABC):
         """
         raise NotImplementedError
 
+    @abstractmethod
     def shutdown(self, wait: bool = True):
         """
         Method to shutdown the interface.
@@ -45,6 +47,7 @@ class BaseSpawner(ABC):
         """
         raise NotImplementedError
 
+    @abstractmethod
     def poll(self):
         """
         Method to check if the interface is running.

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/standalone/plot.py

@@ -1,13 +1,13 @@
 import os.path
 from concurrent.futures import Future
-from typing import Optional, Tuple
+from typing import Optional
 
 import cloudpickle
 
 
 def generate_nodes_and_edges(
     task_hash_dict: dict, future_hash_inverse_dict: dict
-) -> Tuple[list, list]:
+) -> tuple[list, list]:
     """
     Generate nodes and edges for visualization.
 
@@ -39,7 +39,7 @@ def generate_nodes_and_edges(
                     "label": label,
                 }
             )
-        elif isinstance(arg, list) and all([isinstance(a, Future) for a in arg]):
+        elif isinstance(arg, list) and all(isinstance(a, Future) for a in arg):
             for a in arg:
                 add_element(arg=a, link_to=link_to, label=label)
         else:

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/standalone/queue.py

@@ -12,7 +12,7 @@ def cancel_items_in_queue(que: queue.Queue):
     while True:
         try:
             item = que.get_nowait()
-            if isinstance(item, dict) and "future" in item.keys():
+            if isinstance(item, dict) and "future" in item:
                 item["future"].cancel()
                 que.task_done()
         except queue.Empty:

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib/standalone/serialize.py

@@ -1,7 +1,7 @@
 import hashlib
 import inspect
 import re
-from typing import Callable, Tuple
+from typing import Callable, Optional
 
 import cloudpickle
 
@@ -29,8 +29,11 @@ def cloudpickle_register(ind: int = 2):
 
 
 def serialize_funct_h5(
-    fn: Callable, fn_args: list = [], fn_kwargs: dict = {}, resource_dict: dict = {}
-) -> Tuple[str, dict]:
+    fn: Callable,
+    fn_args: Optional[list] = None,
+    fn_kwargs: Optional[dict] = None,
+    resource_dict: Optional[dict] = None,
+) -> tuple[str, dict]:
     """
     Serialize a function and its arguments and keyword arguments into an HDF5 file.
 
@@ -53,6 +56,12 @@ def serialize_funct_h5(
         Tuple[str, dict]: A tuple containing the task key and the serialized data.
 
     """
+    if fn_args is None:
+        fn_args = []
+    if fn_kwargs is None:
+        fn_kwargs = {}
+    if resource_dict is None:
+        resource_dict = {}
     binary_all = cloudpickle.dumps(
         {"fn": fn, "args": fn_args, "kwargs": fn_kwargs, "resource_dict": resource_dict}
     )

{executorlib-0.0.10 → executorlib-0.0.11/executorlib.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: executorlib
-Version: 0.0.10
+Version: 0.0.11
 Summary: Scale serial and MPI-parallel python functions over hundreds of compute nodes all from within a jupyter notebook or serial python process.
 Author-email: Jan Janssen <janssen@lanl.gov>
 License: BSD 3-Clause License
@@ -60,7 +60,7 @@ Requires-Dist: networkx<=3.4.2,>=2.8.8; extra == "graph"
 Provides-Extra: graphnotebook
 Requires-Dist: pygraphviz<=1.14,>=1.10; extra == "graphnotebook"
 Requires-Dist: networkx<=3.4.2,>=2.8.8; extra == "graphnotebook"
-Requires-Dist: ipython<=8.31.0,>=7.33.0; extra == "graphnotebook"
+Requires-Dist: ipython<=8.32.0,>=7.33.0; extra == "graphnotebook"
 Provides-Extra: mpi
 Requires-Dist: mpi4py<=4.0.1,>=3.1.4; extra == "mpi"
 Provides-Extra: submission
@@ -72,7 +72,7 @@ Requires-Dist: pysqa==0.2.3; extra == "all"
 Requires-Dist: h5py<=3.12.1,>=3.6.0; extra == "all"
 Requires-Dist: pygraphviz<=1.14,>=1.10; extra == "all"
 Requires-Dist: networkx<=3.4.2,>=2.8.8; extra == "all"
-Requires-Dist: ipython<=8.31.0,>=7.33.0; extra == "all"
+Requires-Dist: ipython<=8.32.0,>=7.33.0; extra == "all"
 
 # executorlib
 [![Unittests](https://github.com/pyiron/executorlib/actions/workflows/unittest-openmpi.yml/badge.svg)](https://github.com/pyiron/executorlib/actions/workflows/unittest-openmpi.yml)

{executorlib-0.0.10 → executorlib-0.0.11}/executorlib.egg-info/requires.txt

@@ -7,7 +7,7 @@ pysqa==0.2.3
 h5py<=3.12.1,>=3.6.0
 pygraphviz<=1.14,>=1.10
 networkx<=3.4.2,>=2.8.8
-ipython<=8.31.0,>=7.33.0
+ipython<=8.32.0,>=7.33.0
 
 [cache]
 h5py<=3.12.1,>=3.6.0
@@ -19,7 +19,7 @@ networkx<=3.4.2,>=2.8.8
 [graphnotebook]
 pygraphviz<=1.14,>=1.10
 networkx<=3.4.2,>=2.8.8
-ipython<=8.31.0,>=7.33.0
+ipython<=8.32.0,>=7.33.0
 
 [mpi]
 mpi4py<=4.0.1,>=3.1.4

{executorlib-0.0.10 → executorlib-0.0.11}/pyproject.toml

@@ -44,7 +44,7 @@ graph = [
 graphnotebook = [
     "pygraphviz>=1.10,<=1.14",
     "networkx>=2.8.8,<=3.4.2",
-    "ipython>=7.33.0,<=8.31.0",
+    "ipython>=7.33.0,<=8.32.0",
 ]
 mpi = ["mpi4py>=3.1.4,<=4.0.1"]
 submission = [
@@ -57,7 +57,42 @@ all = [
     "h5py>=3.6.0,<=3.12.1",
     "pygraphviz>=1.10,<=1.14",
     "networkx>=2.8.8,<=3.4.2",
-    "ipython>=7.33.0,<=8.31.0",
+    "ipython>=7.33.0,<=8.32.0",
+]
+
+[tool.ruff]
+exclude = [".ci_support", "docs", "notebooks", "tests", "setup.py", "_version.py"]
+
+[tool.ruff.lint]
+select = [
+    # pycodestyle
+    "E",
+    # Pyflakes
+    "F",
+    # pyupgrade
+    "UP",
+    # flake8-bugbear
+    "B",
+    # flake8-simplify
+    "SIM",
+    # isort
+    "I",
+    # flake8-comprehensions
+    "C4",
+    # eradicate
+    "ERA",
+    # pylint
+    "PL",
+]
+ignore = [
+    # ignore line-length violations
+    "E501",
+    # Too many arguments in function definition
+    "PLR0913",
+    # Magic value used in comparison
+    "PLR2004",
+    # Too many branches
+    "PLR0912",
 ]
 
 [tool.setuptools.packages.find]