executorlib 1.5.0__tar.gz → 1.5.1__tar.gz

{executorlib-1.5.0 → executorlib-1.5.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: executorlib
-Version: 1.5.0
+Version: 1.5.1
 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

{executorlib-1.5.0 → executorlib-1.5.1}/executorlib/_version.py

@@ -17,5 +17,5 @@ __version__: str
 __version_tuple__: VERSION_TUPLE
 version_tuple: VERSION_TUPLE
 
-__version__ = version = '1.5.0'
-__version_tuple__ = version_tuple = (1, 5, 0)
+__version__ = version = '1.5.1'
+__version_tuple__ = version_tuple = (1, 5, 1)

{executorlib-1.5.0 → executorlib-1.5.1}/executorlib/task_scheduler/file/queue_spawner.py

@@ -10,18 +10,19 @@ from executorlib.task_scheduler.file.hdf import dump, get_queue_id
 
 def execute_with_pysqa(
     command: list,
+    cache_directory: str,
     task_dependent_lst: Optional[list[int]] = None,
     file_name: Optional[str] = None,
     resource_dict: Optional[dict] = None,
     config_directory: Optional[str] = None,
     backend: Optional[str] = None,
-    cache_directory: Optional[str] = None,
 ) -> Optional[int]:
     """
     Execute a command by submitting it to the queuing system
 
     Args:
         command (list): The command to be executed.
+        cache_directory (str): The directory to store the HDF5 files.
         task_dependent_lst (list): A list of subprocesses that the current subprocess depends on. Defaults to [].
         file_name (str): Name of the HDF5 file which contains the Python function
         resource_dict (dict): resource dictionary, which defines the resources used for the execution of the function.
@@ -30,7 +31,6 @@ def execute_with_pysqa(
                               }
         config_directory (str, optional): path to the config directory.
         backend (str, optional): name of the backend used to spawn tasks.
-        cache_directory (str): The directory to store the HDF5 files.
 
     Returns:
         int: queuing system ID
@@ -50,7 +50,9 @@ def execute_with_pysqa(
         if "cwd" in resource_dict and resource_dict["cwd"] is not None:
             cwd = resource_dict["cwd"]
         else:
-            cwd = cache_directory
+            folder = command[-1].split("_i.h5")[0]
+            cwd = os.path.join(cache_directory, folder)
+            os.makedirs(cwd, exist_ok=True)
         submit_kwargs = {
             "command": " ".join(command),
             "dependency_list": [str(qid) for qid in task_dependent_lst],

{executorlib-1.5.0 → executorlib-1.5.1}/executorlib/task_scheduler/file/shared.py

@@ -112,10 +112,12 @@ def execute_tasks_h5(
                 cache_key=cache_key,
             )
             if task_key not in memory_dict:
-                if task_key + "_o.h5" not in get_cache_files(
-                    cache_directory=cache_directory
-                ):
+                if os.path.join(
+                    cache_directory, task_key + "_o.h5"
+                ) not in get_cache_files(cache_directory=cache_directory):
                     file_name = os.path.join(cache_directory, task_key + "_i.h5")
+                    if os.path.exists(file_name):
+                        os.remove(file_name)
                     dump(file_name=file_name, data_dict=data_dict)
                     if not disable_dependencies:
                         task_dependent_lst = [

{executorlib-1.5.0 → executorlib-1.5.1}/pyproject.toml

@@ -92,6 +92,8 @@ select = [
 ignore = [
     # ignore line-length violations
     "E501",
+    # ignore imports which are not at the top of a module
+    "PLC0415",
     # Too many arguments in function definition
     "PLR0913",
     # Magic value used in comparison