Update executorlib to 1.1.0 (#321)

* Update environment-openmpi.yml

* Update environment-mpich.yml

* Update pyproject.toml

* Update lmpmpi.py

* Update concurrent.py

* Update environment-old.yml

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

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

* Update test_executor.py

* Update environment-mpich.yml

* Update environment-openmpi.yml

* Update pyproject.toml

---------

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

Author: jan-janssen

.ci_support/environment-mpich.yml

@@ -6,6 +6,6 @@ dependencies:
 - mpich =4.2.3
 - numpy =1.26.4
 - mpi4py =4.0.1
-- executorlib =1.0.1
+- executorlib =1.1.1
 - ase =3.25.0
 - scipy =1.15.2

.ci_support/environment-old.yml

@@ -5,6 +5,6 @@ dependencies:
 - openmpi
 - numpy =1.23.5
 - mpi4py =3.1.4
-- executorlib =0.1.0
+- executorlib =1.1.0
 - 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 =1.0.1
+- executorlib =1.1.1
 - ase =3.25.0
 - scipy =1.15.2

pylammpsmpi/mpi/lmpmpi.py

@@ -5,7 +5,7 @@
 from ctypes import c_double, c_int
 
 import numpy as np
-from executorlib.standalone.interactive.communication import (
+from executorlib.standalone import (
     interface_connect,
     interface_receive,
     interface_send,

pylammpsmpi/wrapper/concurrent.py

@@ -8,9 +8,11 @@
 from threading import Thread
 from typing import Any, Optional
 
-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 import (
+    MpiExecSpawner,
+    cancel_items_in_queue,
+    interface_bootup,
+)
 
 __author__ = "Sarath Menon, Jan Janssen"
 __copyright__ = (

pyproject.toml

@@ -25,7 +25,7 @@ classifiers = [
 ]
 dependencies = [
     "mpi4py==4.0.1",
-    "executorlib==1.0.1",
+    "executorlib==1.1.1",
     "numpy==1.26.4",
 ]
 dynamic = ["version"]

tests/test_executor.py

@@ -2,7 +2,7 @@
 
 from ase.build import bulk
 from executorlib import SingleNodeExecutor
-from executorlib.standalone.serialize import cloudpickle_register
+from executorlib.standalone import cloudpickle_register
 
 from pylammpsmpi import LammpsASELibrary