simstack 2.0.1__tar.gz → 2.0.3__tar.gz

{simstack-2.0.1 → simstack-2.0.3}/PKG-INFO

@@ -1,8 +1,8 @@
 Metadata-Version: 2.4
 Name: simstack
-Version: 2.0.1
+Version: 2.0.3
 Summary: A python based workflow engineering platform with a react-js UI
-Author-email: Wolfgang Wenzel <wolfgang.wenzel@kit.edu>, Artem Buildin <artem.buildin@kit.edu>, Nikita Mitagin <nikita.mitagin@kit.edu>, Phillip Dullinger <phillip.dullinger@kit.edu>, Celso Rego <celso.rego@kit.edu>, Oliver Pettkau <oliver.pettkau@kit.edu>, Timo Strunk <timo.strunk@nanomatch.de>
+Author-email: Wolfgang Wenzel <wolfgang.wenzel@kit.edu>, Artem Buldin <artem.buildin@kit.edu>, Nikita Mitiagin <nikita.mitagin@kit.edu>, Jörg Schaarschmidt <joerg.schaarschmidt@kit.edu>, Phillip Dullinger <phillip.dullinger@kit.edu>, Celso Rego <celso.rego@kit.edu>, Oliver Pettkau <oliver.pettkau@kit.edu>, Timo Strunk <timo.strunk@nanomatch.de>
 License: MIT
 Project-URL: Homepage, https://gitlab.kit.edu/kit/ag_wenzel/simstack-model/
 Requires-Python: >=3.12

{simstack-2.0.1 → simstack-2.0.3}/doc/source/workflows.rst

@@ -327,11 +327,14 @@ of operations controlled by the class Node.
   deal with nested objects, such as list, dicts, classes, etc.
   For odmantic models which have a ``complex_hash_function`` this function will
   override the default behavior. Odmantic ObjectId are not hashed.
-- if a NodeRegistry :class:`simstack.models.node_registry.NodeRegistry` entry
-  matching the name of the function, the hash of the
-  arguments and the hash of the function is found, this registry entry is
-  returned, even if the node has failed unless force_rerun is True.
-- if no such NodeRegistry entry exists a new one is created with TaskStatus.SUBMITTED
+- if a completed NodeRegistry :class:`simstack.models.node_registry.NodeRegistry`
+  entry matching the function name, argument hash and function hash is found,
+  its result is reused. A non-completed matching entry is reused only when its
+  resource, queue, Docker flag and Slurm parameters match the current execution
+  route. Otherwise, a new registry entry is created. ``force_rerun=True`` always
+  bypasses reuse.
+- if no reusable NodeRegistry entry exists a new one is created with
+  TaskStatus.SUBMITTED
 - the node class then calls the function :func:`simstack.core.node.Node.run_somewhere`
   which executes the node locally using
   :func:`simstack.core.node.Node.execute_node_locally` or waits until

simstack-2.0.3/meta.json

@@ -0,0 +1,24 @@
+{
+  "title": "SimStack",
+  "workflow_environment": "SimStack",
+  "description": "Core Python framework and runner for defining, registering and executing scientific workflow nodes with typed input and output models, task state tracking and resource configuration.",
+  "authors": [
+    "Wolfgang Wenzel",
+    "Artem Buldin",
+    "Nikita Mitiagin",
+    "Jörg Schaarschmidt",
+    "Phillip Dullinger",
+    "Celso Rego",
+    "Oliver Pettkau",
+    "Timo Strunk"
+  ],
+  "release": "v2.0.3",
+  "keywords": [
+    "SimStack",
+    "workflow",
+    "workflow engine",
+    "scientific computing",
+    "Python",
+    "workflow nodes"
+  ]
+}

{simstack-2.0.1 → simstack-2.0.3}/pyproject.toml

@@ -10,8 +10,9 @@ readme = "README.md"
 requires-python = ">= 3.12"
 authors = [
     {name = "Wolfgang Wenzel", email = "wolfgang.wenzel@kit.edu"},
-    { name = "Artem Buildin", email = "artem.buildin@kit.edu" },
-    { name = "Nikita Mitagin", email = "nikita.mitagin@kit.edu" },
+    { name = "Artem Buldin", email = "artem.buildin@kit.edu" },
+    { name = "Nikita Mitiagin", email = "nikita.mitagin@kit.edu" },
+    { name = "Jörg Schaarschmidt", email = "joerg.schaarschmidt@kit.edu" },
     { name = "Phillip Dullinger", email = "phillip.dullinger@kit.edu" },
     { name = "Celso Rego", email = "celso.rego@kit.edu" },
     { name = "Oliver Pettkau", email = "oliver.pettkau@kit.edu" },

{simstack-2.0.1 → simstack-2.0.3}/src/simstack/_version.py

@@ -18,7 +18,7 @@ version_tuple: tuple[int | str, ...]
 commit_id: str | None
 __commit_id__: str | None
 
-__version__ = version = '2.0.1'
-__version_tuple__ = version_tuple = (2, 0, 1)
+__version__ = version = '2.0.3'
+__version_tuple__ = version_tuple = (2, 0, 3)
 
-__commit_id__ = commit_id = 'g681ea62d1'
+__commit_id__ = commit_id = 'gcd6bcd71f'

{simstack-2.0.1 → simstack-2.0.3}/src/simstack/core/artifacts.py

@@ -8,6 +8,7 @@ from odmantic import ObjectId
 from simstack.core.context import context
 from simstack.models.artifact_models import ArtifactMapping, ArtifactModel
 from simstack.models.charts_artifact import ChartArtifactModel
+from simstack.models.images2d import Image2DArtifactModel
 from simstack.models.node_registry import find_child_nodes, NodeRegistry
 from simstack.models.table_artifact import TableArtifactModel
 from simstack.util.db import Database
@@ -197,23 +198,16 @@ async def create_artifacts(
                             f"{log_string_mapping} Artifact is None, skipping."
                         )
                         continue
-                    if isinstance(artifact, TableArtifactModel):
+                    if isinstance(artifact, (TableArtifactModel, ChartArtifactModel, ArtifactModel, Image2DArtifactModel)):
                         artifact.parent_id = node_registry.id
+                        if isinstance(artifact, ArtifactModel):
+                            artifact.path = call_path
                         saved_artifact = await context.db.save(artifact)
+                        if isinstance(artifact, ArtifactModel):
+                            artifact_list.append(saved_artifact)
                         logger.debug(
-                            f"{log_string_mapping} new table: {saved_artifact}"
+                            f"{log_string_mapping} new artifact: {saved_artifact}"
                         )
-                    elif isinstance(artifact, ChartArtifactModel):
-                        artifact.parent_id = node_registry.id
-                        saved_artifact = await context.db.save(artifact)
-                        logger.debug(
-                            f"{log_string_mapping} new table: {saved_artifact}"
-                        )
-                    elif isinstance(artifact, ArtifactModel):
-                        artifact.path = call_path
-                        saved_artifact = await context.db.save(artifact)
-                        logger.debug(f"{log_string_mapping} new: {saved_artifact}")
-                        artifact_list.append(saved_artifact)
                     else:
                         raise ValueError(
                             f"{log_string_mapping} not an ArtifactModel object. Got {artifact} instead."

{simstack-2.0.1 → simstack-2.0.3}/src/simstack/core/context.py

@@ -55,6 +55,8 @@ class GlobalState:
             cls._instance._model_mappings = None
             cls._instance._node_mappings = None
             cls._instance._resource_config = None
+            cls._instance._in_docker = False
+            cls._instance._current_node_name = None
         return cls._instance
 
     def __init__(self, **kwargs):
@@ -73,6 +75,8 @@ class GlobalState:
         self._model_mappings = None
         self._node_mappings = None
         self._resource_config = None
+        self._in_docker = False
+        self._current_node_name = None
 
     def __getattribute__(self, name):
         # These special attributes should always be accessible
@@ -80,6 +84,8 @@ class GlobalState:
             "_initialized",
             "initialize",
             "initialized",
+            "_in_docker",
+            "_current_node_name",
         ):
             return object.__getattribute__(self, name)
 
@@ -111,6 +117,8 @@ class GlobalState:
                 - resource (str, optional): Specifies the resource identifier for the configuration reader.
                     Defaults to `"self"`.
                 - config_file (str, optional): Specifies the path to the configuration file, defaults to simstack.toml
+                - in_docker (bool, optional): True when this process is already inside a
+                    container (`run_node --in-docker`). Defaults to `False`.
 
         Logic:
             if all values for the DB are provided in the kwargs, use the provided values
@@ -134,6 +142,8 @@ class GlobalState:
             if not is_test:
                 return
         self._initialized = True  # required because some later functions use context
+        self._in_docker = bool(kwargs.get("in_docker", False))
+        self._current_node_name = None
 
         project_root = kwargs.get("project_root", find_project_root())
         if project_root is None:  # maybe None was passed
@@ -151,6 +161,8 @@ class GlobalState:
         if db_name is None or connection_string is None or db_type is None:
             # use not all info in the kwargs
             simstack_toml_path = project_root / "simstack.toml"
+            if not simstack_toml_path.exists():
+                raise ValueError(f"simstack.toml not found in {project_root}")
             toml_reader = TomlReader(project_root, config_file=Path(simstack_toml_path).resolve())
             db_info = DatabaseInformation.from_config(toml_reader.config, **kwargs)
         else:
@@ -274,6 +286,22 @@ class GlobalState:
     def resource_config(self) -> "ResourceConfig":
         return self._resource_config
 
+    @property
+    def in_docker(self) -> bool:
+        return bool(self._in_docker)
+
+    @in_docker.setter
+    def in_docker(self, value: bool) -> None:
+        self._in_docker = bool(value)
+
+    @property
+    def current_node_name(self) -> str | None:
+        return self._current_node_name
+
+    @current_node_name.setter
+    def current_node_name(self, value: str | None) -> None:
+        self._current_node_name = value
+
     @property
     def initialized(self):
         return self._initialized

{simstack-2.0.1 → simstack-2.0.3}/src/simstack/core/find_simstack_modules.py

@@ -3,7 +3,7 @@ import pkgutil
 from importlib.metadata import entry_points
 from logging import getLogger
 
-logger = getLogger("find_simstack_modules")
+logger = getLogger("find_modules")
 
 
 def walk_packages(package_name, all_modules):