executorlib 1.10.4__py3-none-any.whl → 1.11.0__py3-none-any.whl

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/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/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/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/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/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)

{executorlib-1.10.4.dist-info → executorlib-1.11.0.dist-info}/METADATA

@@ -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.dist-info → executorlib-1.11.0.dist-info}/RECORD

@@ -1,5 +1,5 @@
 executorlib/__init__.py,sha256=Xj1QeplikK6_6BFifidkFWPcTDzDM-XEV74RjXJU5KY,5841
-executorlib/_version.py,sha256=usuurpwHDo5uv6MsesRr2lS6yJFV0JkHe1pMreJX8PQ,522
+executorlib/_version.py,sha256=R0RDH1rwZiqBhqHMW83hcuYNyE-V-M_xo-8QDd6aazQ,522
 executorlib/api.py,sha256=F6ibDJnVcPGxxPe-UScFJHprWHiVsETGhgAvS1T-9ZI,1365
 executorlib/backend/__init__.py,sha256=2b_iwds4VUrJe92nKtQXkoGxkJiXeEDSlbvCRN_-de8,456
 executorlib/backend/cache_parallel.py,sha256=ldb2iYzrhcXJZ0LcH75FpTLO_6F51mleU9JGAilF00k,2020
@@ -8,16 +8,16 @@ executorlib/backend/interactive_parallel.py,sha256=HimGnWOdTXInC3o7W4wMUSTTlj6Ms
 executorlib/backend/interactive_serial.py,sha256=ZV_VGcnCAk7N-VcoJKYEIG0OGUUwR4KFWoHG7MVBA3g,2998
 executorlib/executor/__init__.py,sha256=oR2ABLAMYV_TNs1eG-3-MAKHFS7OKB-1KOzCqKNbtWA,310
 executorlib/executor/base.py,sha256=UKJViNoshthAgF2I4FoK0nZT0FL7WgkrzWFYhRiU1H4,6957
-executorlib/executor/flux.py,sha256=g8K1GMfn9KMM4udj3LdmDMahavPBBCOusYVG36W1hAY,40779
-executorlib/executor/single.py,sha256=jX4BZCFdNksA3XhTpkxyLJfXGNh0j-5qq8jSgRsjwuk,36015
-executorlib/executor/slurm.py,sha256=Prvts9IgDHgCCMYoWpNdeoKMZ4h1ICQ05fkomh25Yl4,38337
+executorlib/executor/flux.py,sha256=_HUhKjh1hkJSA4wILgVWD6s_NM6_GcwXujSaI_frjVw,40926
+executorlib/executor/single.py,sha256=01pTEC8d0roL56taevF6fIydFupKuoSzzjzvSgrAiBE,36162
+executorlib/executor/slurm.py,sha256=_I-JBzODWP5PShnOFm_ES9DQiTnKyq0Q02Be_lKq2JU,38484
 executorlib/standalone/__init__.py,sha256=n_Q4NUFu35Fn0qlWIhmoC_FyUkmFGlWn1cNc_7EscF0,290
 executorlib/standalone/batched.py,sha256=o3TtsFJir8nP1O_NZFfW0Q78CoZAFgHMyroWlg520nE,1446
 executorlib/standalone/command.py,sha256=4Xndog84zJdku1ke1DwdUamkWvzRrMz-VDCi5cRXi0M,6548
 executorlib/standalone/command_pysqa.py,sha256=eNTyHxtjUsn3950NOWHfNrFKgtxgD9GAVxCdN6Ewxcc,5948
 executorlib/standalone/error.py,sha256=aaMQoRsoLzLCbYT-E4LZxGM9pm_AhjMesRjVt0d_LDk,714
 executorlib/standalone/hdf.py,sha256=bEVlV-Y9vzYnd3NNcC0uOsdWJSzLN3c2HbzcWKo8328,7975
-executorlib/standalone/inputcheck.py,sha256=kSWUzqdMOhILYXW4Isumn1EGH3SegxPUMWRkUWfEleU,10041
+executorlib/standalone/inputcheck.py,sha256=pcPtvp52QfjMu3N8MYJf2ywffjzN_cABANhIc6LRkL8,10901
 executorlib/standalone/queue.py,sha256=-q04hhz1UmZFhbJY95ctBg1xmxqjNxh0xCYhv3y9jK0,1281
 executorlib/standalone/select.py,sha256=7zZOc9WLOMtKEVPybO_kGZjjLRnhGx4_tkqxZumWB_o,3215
 executorlib/standalone/serialize.py,sha256=NdFdwF8xrIPPbYpBRQY3d5-n2yQSG6H41EDEr2Ojkes,4972
@@ -42,9 +42,9 @@ executorlib/task_scheduler/interactive/dependency_plot.py,sha256=iZBZ9UMDeYOMFjD
 executorlib/task_scheduler/interactive/onetoone.py,sha256=cTXgTXR9kKzzlx6EfGumMsEm7DUa7BD9JSeBpdPiupI,13312
 executorlib/task_scheduler/interactive/shared.py,sha256=Lr9R63f0kBl4g64E0vRl3xMvnYlNypoIx5ADYSQ2RdE,6720
 executorlib/task_scheduler/interactive/spawner_flux.py,sha256=M7CPWvzY7MDkplJ4awymh7WbMYwKsDPTKxA2Op9wfNo,7075
-executorlib/task_scheduler/interactive/spawner_pysqa.py,sha256=jQB8PQAH9cBo_ofpxHTzydg0ghwSOP51CtVL96YH_fc,10346
+executorlib/task_scheduler/interactive/spawner_pysqa.py,sha256=q4BfPPTJfClHMyrRiQM-c5c9yLkCgzA5hB5ihB9EVps,10502
 executorlib/task_scheduler/interactive/spawner_slurm.py,sha256=K5mj63PE8FYbkw9WWm4uEjoA5q0HM42z1d2wjAmO5YA,3713
-executorlib-1.10.4.dist-info/METADATA,sha256=aCrXufqr_iKhoTTl2cN7Bwl27DyrvK8NNmdg6fjNFbY,20969
-executorlib-1.10.4.dist-info/WHEEL,sha256=W3fkpkm7-wf9vBI5Z-7s0eWkeM-spu78I8Neb98DeEg,87
-executorlib-1.10.4.dist-info/licenses/LICENSE,sha256=NkrhccIxPXCbbvp_upyVojt7DNTwZIco3z9wsYpSLqU,1511
-executorlib-1.10.4.dist-info/RECORD,,
+executorlib-1.11.0.dist-info/METADATA,sha256=oIKGJDdly8xsh9ZTwfbDqg-0M_DdT37ya1bdRMgj1Po,20954
+executorlib-1.11.0.dist-info/WHEEL,sha256=W3fkpkm7-wf9vBI5Z-7s0eWkeM-spu78I8Neb98DeEg,87
+executorlib-1.11.0.dist-info/licenses/LICENSE,sha256=NkrhccIxPXCbbvp_upyVojt7DNTwZIco3z9wsYpSLqU,1511
+executorlib-1.11.0.dist-info/RECORD,,