python-workflow-definition 0.1.3__tar.gz → 0.1.4__tar.gz

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Files changed (17) hide show
  1. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/PKG-INFO +4 -4
  2. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/pyproject.toml +3 -3
  3. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/_version.py +2 -2
  4. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/aiida.py +3 -3
  5. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/.gitignore +0 -0
  6. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/LICENSE +0 -0
  7. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/__init__.py +0 -0
  8. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/cwl/__init__.py +0 -0
  9. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/cwl/__main__.py +0 -0
  10. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/executorlib.py +0 -0
  11. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/jobflow.py +0 -0
  12. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/models.py +0 -0
  13. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/plot.py +0 -0
  14. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/purepython.py +0 -0
  15. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/pyiron_base.py +0 -0
  16. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/pyiron_workflow.py +0 -0
  17. {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/shared.py +0 -0
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: python_workflow_definition
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- Version: 0.1.3
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+ Version: 0.1.4
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  Summary: Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron
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  Author-email: Jan Janssen <janssen@mpie.de>, Janine George <janine.geogre@bam.de>, Julian Geiger <julian.geiger@psi.ch>, Xing Wang <xing.wang@psi.ch>, Marnik Bercx <marnik.bercx@psi.ch>, Christina Ertural <christina.ertural@bam.de>
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  License: BSD 3-Clause License
@@ -34,11 +34,11 @@ License: BSD 3-Clause License
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  OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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  License-File: LICENSE
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  Requires-Dist: numpy>=1.21
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- Requires-Dist: pydantic<=2.12.4,>=2.7.0
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+ Requires-Dist: pydantic<2.13.0,>=2.7.0
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  Provides-Extra: aiida
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- Requires-Dist: aiida-workgraph<=0.7.6,>=0.5.1; extra == 'aiida'
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+ Requires-Dist: aiida-workgraph<=0.8.1,>=0.5.1; extra == 'aiida'
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  Provides-Extra: jobflow
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- Requires-Dist: jobflow<=0.2.1,>=0.1.18; extra == 'jobflow'
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+ Requires-Dist: jobflow<=0.3.1,>=0.1.18; extra == 'jobflow'
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  Provides-Extra: plot
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  Requires-Dist: ipython<=9.8.0,>=7.33.0; extra == 'plot'
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  Requires-Dist: networkx<=3.5,>=2.8.8; extra == 'plot'
@@ -16,16 +16,16 @@ authors = [
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  license = { file = "LICENSE" }
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  dependencies = [
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  "numpy>=1.21",
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- "pydantic>=2.7.0,<=2.12.4",
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+ "pydantic>=2.7.0,<2.13.0",
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  ]
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  dynamic = ["version"]
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  [project.optional-dependencies]
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  aiida = [
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- "aiida-workgraph>=0.5.1,<=0.7.6",
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+ "aiida-workgraph>=0.5.1,<=0.8.1",
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  ]
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  jobflow = [
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- "jobflow>=0.1.18,<=0.2.1",
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+ "jobflow>=0.1.18,<=0.3.1",
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  ]
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  pyiron = [
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  "pyiron_base>=0.11.10,<=0.15.12",
@@ -28,7 +28,7 @@ version_tuple: VERSION_TUPLE
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  commit_id: COMMIT_ID
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  __commit_id__: COMMIT_ID
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- __version__ = version = '0.1.3'
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- __version_tuple__ = version_tuple = (0, 1, 3)
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+ __version__ = version = '0.1.4'
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+ __version_tuple__ = version_tuple = (0, 1, 4)
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  __commit_id__ = commit_id = None
@@ -6,7 +6,7 @@ from aiida_pythonjob.data.serializer import general_serializer
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  from aiida_workgraph import WorkGraph, task, Task, namespace
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  from aiida_workgraph.socket import TaskSocketNamespace
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  from dataclasses import replace
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- from node_graph.node_spec import SchemaSource
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+ from node_graph.task_spec import SchemaSource
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  from python_workflow_definition.models import PythonWorkflowDefinitionWorkflow
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  from python_workflow_definition.shared import (
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  convert_nodes_list_to_dict,
@@ -109,9 +109,9 @@ def write_workflow_json(wg: WorkGraph, file_name: str) -> dict:
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  # if the from socket is the default result, we set it to None
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  if link_data["from_socket"] == "result":
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  link_data["from_socket"] = None
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- link_data[TARGET_LABEL] = node_name_mapping[link_data.pop("to_node")]
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+ link_data[TARGET_LABEL] = node_name_mapping[link_data.pop("to_task")]
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  link_data[TARGET_PORT_LABEL] = link_data.pop("to_socket")
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- link_data[SOURCE_LABEL] = node_name_mapping[link_data.pop("from_node")]
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+ link_data[SOURCE_LABEL] = node_name_mapping[link_data.pop("from_task")]
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  link_data[SOURCE_PORT_LABEL] = link_data.pop("from_socket")
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  data[EDGES_LABEL].append(link_data)
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