executorlib 1.10.4__tar.gz → 1.11.0__tar.gz

{executorlib-1.10.4 → executorlib-1.11.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.5
 Name: executorlib
-Version: 1.10.4
+Version: 1.11.0
 Summary: Up-scale python functions for high performance computing (HPC) with executorlib.
 Project-URL: Homepage, https://github.com/pyiron/executorlib
 Project-URL: Documentation, https://executorlib.readthedocs.io
@@ -48,32 +48,32 @@ Classifier: Programming Language :: Python :: 3.13
 Classifier: Programming Language :: Python :: 3.14
 Classifier: Topic :: Scientific/Engineering :: Physics
 Requires-Python: <3.15,>3.9
-Requires-Dist: cloudpickle<=3.1.2,>=2.0.0
-Requires-Dist: pyzmq<=27.2.0,>=25.0.0
+Requires-Dist: cloudpickle<3.2.0,>=2.0.0
+Requires-Dist: pyzmq<27.3.0,>=25.0.0
 Provides-Extra: all
-Requires-Dist: h5py<=3.16.0,>=3.6.0; extra == 'all'
-Requires-Dist: ipython<=9.9.0,>=7.33.0; extra == 'all'
-Requires-Dist: mpi4py<=4.1.2,>=3.1.4; extra == 'all'
-Requires-Dist: networkx<=3.6.1,>=2.8.8; extra == 'all'
-Requires-Dist: pydantic<=2.14.1,>=2.5.3; extra == 'all'
-Requires-Dist: pygraphviz<=2.0.3,>=1.10; extra == 'all'
-Requires-Dist: pysqa==1.0.1; extra == 'all'
+Requires-Dist: h5py<3.17.0,>=3.6.0; extra == 'all'
+Requires-Dist: ipython<9.10.0,>=7.33.0; extra == 'all'
+Requires-Dist: mpi4py<4.2.0,>=3.1.4; extra == 'all'
+Requires-Dist: networkx<3.7.0,>=2.8.8; extra == 'all'
+Requires-Dist: pydantic<2.15.0,>=2.5.3; extra == 'all'
+Requires-Dist: pygraphviz<2.1.0,>=1.10; extra == 'all'
+Requires-Dist: pysqa==1.1.0; extra == 'all'
 Provides-Extra: cache
-Requires-Dist: h5py<=3.16.0,>=3.6.0; extra == 'cache'
+Requires-Dist: h5py<3.17.0,>=3.6.0; extra == 'cache'
 Provides-Extra: cluster
-Requires-Dist: h5py<=3.16.0,>=3.6.0; extra == 'cluster'
-Requires-Dist: pysqa==1.0.1; extra == 'cluster'
+Requires-Dist: h5py<3.17.0,>=3.6.0; extra == 'cluster'
+Requires-Dist: pysqa==1.1.0; extra == 'cluster'
 Provides-Extra: graph
-Requires-Dist: networkx<=3.6.1,>=2.8.8; extra == 'graph'
-Requires-Dist: pygraphviz<=2.0.3,>=1.10; extra == 'graph'
+Requires-Dist: networkx<3.7.0,>=2.8.8; extra == 'graph'
+Requires-Dist: pygraphviz<2.1.0,>=1.10; extra == 'graph'
 Provides-Extra: graphnotebook
-Requires-Dist: ipython<=9.9.0,>=7.33.0; extra == 'graphnotebook'
-Requires-Dist: networkx<=3.6.1,>=2.8.8; extra == 'graphnotebook'
-Requires-Dist: pygraphviz<=2.0.3,>=1.10; extra == 'graphnotebook'
+Requires-Dist: ipython<9.10.0,>=7.33.0; extra == 'graphnotebook'
+Requires-Dist: networkx<3.7.0,>=2.8.8; extra == 'graphnotebook'
+Requires-Dist: pygraphviz<2.1.0,>=1.10; extra == 'graphnotebook'
 Provides-Extra: mpi
-Requires-Dist: mpi4py<=4.1.2,>=3.1.4; extra == 'mpi'
+Requires-Dist: mpi4py<4.2.0,>=3.1.4; extra == 'mpi'
 Provides-Extra: validation
-Requires-Dist: pydantic<=2.14.1,>=2.5.3; extra == 'validation'
+Requires-Dist: pydantic<2.15.0,>=2.5.3; extra == 'validation'
 Description-Content-Type: text/markdown
 
 # executorlib

{executorlib-1.10.4 → executorlib-1.11.0}/pyproject.toml

@@ -1,9 +1,9 @@
 [build-system]
 requires = [
-    "hatchling>=1.27.0,<=1.32.4",
-    "hatch-vcs==0.5.0",
-    "cloudpickle>=2.0.0,<=3.1.2",
-    "pyzmq>=25.0.0,<=27.2.0",
+    "hatchling>=1.27.0,<1.33.0",
+    "hatch-vcs>=0.4.0,<0.6.0",
+    "cloudpickle>=2.0.0,<3.2.0",
+    "pyzmq>=25.0.0,<27.3.0",
 ]
 build-backend = "hatchling.build"
 
@@ -30,8 +30,8 @@ classifiers = [
     "Programming Language :: Python :: 3.14",
 ]
 dependencies = [
-    "cloudpickle>=2.0.0,<=3.1.2",
-    "pyzmq>=25.0.0,<=27.2.0",
+    "cloudpickle>=2.0.0,<3.2.0",
+    "pyzmq>=25.0.0,<27.3.0",
 ]
 dynamic = ["version"]
 
@@ -41,32 +41,32 @@ Documentation = "https://executorlib.readthedocs.io"
 Repository = "https://github.com/pyiron/executorlib"
 
 [project.optional-dependencies]
-cache = ["h5py>=3.6.0,<=3.16.0"]
+cache = ["h5py>=3.6.0,<3.17.0"]
 graph = [
-    "pygraphviz>=1.10,<=2.0.3",
-    "networkx>=2.8.8,<=3.6.1",
+    "pygraphviz>=1.10,<2.1.0",
+    "networkx>=2.8.8,<3.7.0",
 ]
 graphnotebook = [
-    "pygraphviz>=1.10,<=2.0.3",
-    "networkx>=2.8.8,<=3.6.1",
-    "ipython>=7.33.0,<=9.9.0",
+    "pygraphviz>=1.10,<2.1.0",
+    "networkx>=2.8.8,<3.7.0",
+    "ipython>=7.33.0,<9.10.0",
 ]
-mpi = ["mpi4py>=3.1.4,<=4.1.2"]
+mpi = ["mpi4py>=3.1.4,<4.2.0"]
 cluster = [
-    "pysqa==1.0.1",
-    "h5py>=3.6.0,<=3.16.0",
+    "pysqa==1.1.0",
+    "h5py>=3.6.0,<3.17.0",
 ]
 validation = [
-    "pydantic>=2.5.3,<=2.14.1",
+    "pydantic>=2.5.3,<2.15.0",
 ]
 all = [
-    "mpi4py>=3.1.4,<=4.1.2",
-    "pysqa==1.0.1",
-    "h5py>=3.6.0,<=3.16.0",
-    "pydantic>=2.5.3,<=2.14.1",
-    "pygraphviz>=1.10,<=2.0.3",
-    "networkx>=2.8.8,<=3.6.1",
-    "ipython>=7.33.0,<=9.9.0",
+    "mpi4py>=3.1.4,<4.2.0",
+    "pysqa==1.1.0",
+    "h5py>=3.6.0,<3.17.0",
+    "pydantic>=2.5.3,<2.15.0",
+    "pygraphviz>=1.10,<2.1.0",
+    "networkx>=2.8.8,<3.7.0",
+    "ipython>=7.33.0,<9.10.0",
 ]
 
 [tool.ruff]

{executorlib-1.10.4 → executorlib-1.11.0}/src/executorlib/_version.py

@@ -18,7 +18,7 @@ version_tuple: tuple[int | str, ...]
 commit_id: str | None
 __commit_id__: str | None
 
-__version__ = version = '1.10.4'
-__version_tuple__ = version_tuple = (1, 10, 4)
+__version__ = version = '1.11.0'
+__version_tuple__ = version_tuple = (1, 11, 0)
 
 __commit_id__ = commit_id = None

{executorlib-1.10.4 → executorlib-1.11.0}/src/executorlib/executor/flux.py

@@ -4,6 +4,7 @@ from executorlib.executor.base import BaseExecutor
 from executorlib.standalone.inputcheck import (
     check_command_line_argument_lst,
     check_init_function,
+    check_init_function_with_cache,
     check_log_obj_size,
     check_oversubscribe,
     check_plot_dependency_graph,
@@ -580,6 +581,9 @@ def create_flux_executor(
     executor_kwargs["hostname_localhost"] = hostname_localhost
     executor_kwargs["log_obj_size"] = log_obj_size
     check_init_function(block_allocation=block_allocation, init_function=init_function)
+    check_init_function_with_cache(
+        init_function=init_function, cache_directory=cache_directory
+    )
     check_pmi(backend="flux_allocation", pmi=pmi_mode)
     check_oversubscribe(
         oversubscribe=executor_kwargs.get("openmpi_oversubscribe", False)

{executorlib-1.10.4 → executorlib-1.11.0}/src/executorlib/executor/single.py

@@ -5,6 +5,7 @@ from executorlib.standalone.inputcheck import (
     check_command_line_argument_lst,
     check_gpus_per_worker,
     check_init_function,
+    check_init_function_with_cache,
     check_plot_dependency_graph,
     check_refresh_rate,
     check_restart_limit,
@@ -511,6 +512,9 @@ def create_single_node_executor(
     executor_kwargs["log_obj_size"] = log_obj_size
 
     check_init_function(block_allocation=block_allocation, init_function=init_function)
+    check_init_function_with_cache(
+        init_function=init_function, cache_directory=cache_directory
+    )
     check_gpus_per_worker(gpus_per_worker=executor_kwargs.get("gpus_per_core", 0))
     check_command_line_argument_lst(
         command_line_argument_lst=executor_kwargs.get("slurm_cmd_args", [])

{executorlib-1.10.4 → executorlib-1.11.0}/src/executorlib/executor/slurm.py

@@ -3,6 +3,7 @@ from typing import Callable, Optional, Union
 from executorlib.executor.base import BaseExecutor
 from executorlib.standalone.inputcheck import (
     check_init_function,
+    check_init_function_with_cache,
     check_log_obj_size,
     check_plot_dependency_graph,
     check_refresh_rate,
@@ -552,6 +553,9 @@ def create_slurm_executor(
     executor_kwargs["log_obj_size"] = log_obj_size
     executor_kwargs["pmi_mode"] = pmi_mode
     check_init_function(block_allocation=block_allocation, init_function=init_function)
+    check_init_function_with_cache(
+        init_function=init_function, cache_directory=cache_directory
+    )
     check_wait_on_shutdown(wait_on_shutdown=wait)
     if block_allocation:
         executor_kwargs["init_function"] = init_function

{executorlib-1.10.4 → executorlib-1.11.0}/src/executorlib/standalone/inputcheck.py

@@ -138,6 +138,23 @@ def check_init_function(
         raise ValueError("")
 
 
+def check_init_function_with_cache(
+    init_function: Optional[Callable], cache_directory: Optional[str]
+) -> None:
+    """
+    Check if init_function and cache_directory are both set, and raise a warning if they are. The cache key is
+    computed from the submitted function and its arguments only, so it does not reflect the state set by the
+    init_function, which can lead to stale results being returned from the cache.
+    """
+    if init_function is not None and cache_directory is not None:
+        warn(
+            "The init_function and the cache_directory are incompatible: the cache key does not include the "
+            "state set by the init_function, so functions which depend on this state may return stale results "
+            "from the cache. See https://github.com/pyiron/executorlib/issues/1084",
+            stacklevel=2,
+        )
+
+
 def check_max_workers_and_cores(
     max_workers: Optional[int], max_cores: Optional[int]
 ) -> None:

{executorlib-1.10.4 → executorlib-1.11.0}/src/executorlib/task_scheduler/interactive/spawner_pysqa.py

@@ -6,7 +6,10 @@ from typing import Callable, Optional
 from pysqa import QueueAdapter
 
 from executorlib.standalone.command_pysqa import pysqa_execute_command, pysqa_terminate
-from executorlib.standalone.inputcheck import validate_number_of_cores
+from executorlib.standalone.inputcheck import (
+    check_init_function_with_cache,
+    validate_number_of_cores,
+)
 from executorlib.standalone.interactive.spawner import (
     BaseSpawner,
     set_current_directory_in_environment,
@@ -233,6 +236,9 @@ def create_pysqa_block_allocation_scheduler(
     backend: Optional[str] = None,
     validator: Callable = validate_resource_dict,
 ):
+    check_init_function_with_cache(
+        init_function=init_function, cache_directory=cache_directory
+    )
     if executor_kwargs is None:
         executor_kwargs = {}
     cores_per_worker = executor_kwargs.get("cores", 1)