Get ready for the next version of executorlib (#263)

* Get ready for the next version of executorlib

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update environment-mpich.yml

* Update environment-openmpi.yml

* Update environment-old.yml

* Update pyproject.toml

* Update concurrent.py

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Update test_executor.py

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

.ci_support/environment-mpich.yml

@@ -6,6 +6,6 @@ dependencies:
 - mpich =4.2.3
 - numpy =1.26.4
 - mpi4py =4.0.1
-- executorlib =0.0.4
+- executorlib =0.0.5
 - ase =3.23.0
 - scipy =1.14.1

.ci_support/environment-old.yml

@@ -5,6 +5,6 @@ dependencies:
 - openmpi
 - numpy =1.23.5
 - mpi4py =3.1.4
-- executorlib =0.0.3
+- executorlib =0.0.5
 - ase =3.23.0
 - scipy =1.9.3

.ci_support/environment-openmpi.yml

@@ -6,6 +6,6 @@ dependencies:
 - openmpi =5.0.5
 - numpy =1.26.4
 - mpi4py =4.0.1
-- executorlib =0.0.4
+- executorlib =0.0.5
 - ase =3.23.0
 - scipy =1.14.1

pylammpsmpi/mpi/lmpmpi.py

@@ -6,7 +6,7 @@
 from ctypes import c_double, c_int
 
 import numpy as np
-from executorlib.shared import (
+from executorlib.standalone.interactive.communication import (
     interface_connect,
     interface_receive,
     interface_send,

pylammpsmpi/wrapper/concurrent.py

@@ -8,12 +8,10 @@
 from queue import Queue
 from typing import Any, List, Optional
 
-from executorlib.shared import (
-    MpiExecSpawner,
-    RaisingThread,
-    cancel_items_in_queue,
-    interface_bootup,
-)
+from executorlib.standalone.interactive.communication import interface_bootup
+from executorlib.standalone.interactive.spawner import MpiExecSpawner
+from executorlib.standalone.queue import cancel_items_in_queue
+from executorlib.standalone.thread import RaisingThread
 
 __author__ = "Sarath Menon, Jan Janssen"
 __copyright__ = (

pyproject.toml

@@ -25,7 +25,7 @@ classifiers = [
 ]
 dependencies = [
     "mpi4py==4.0.1",
-    "executorlib==0.0.4",
+    "executorlib==0.0.5",
     "numpy==1.26.4",
 ]
 dynamic = ["version"]

tests/test_executor.py

@@ -1,7 +1,7 @@
 import unittest
 from ase.build import bulk
 from executorlib import Executor
-from executorlib.shared.executor import cloudpickle_register
+from executorlib.standalone.serialize import cloudpickle_register
 from pylammpsmpi import LammpsASELibrary