python-workflow-definition 0.1.3__tar.gz → 0.1.4__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/PKG-INFO +4 -4
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/pyproject.toml +3 -3
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/_version.py +2 -2
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/aiida.py +3 -3
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/.gitignore +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/LICENSE +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/__init__.py +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/cwl/__init__.py +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/cwl/__main__.py +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/executorlib.py +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/jobflow.py +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/models.py +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/plot.py +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/purepython.py +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/pyiron_base.py +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/pyiron_workflow.py +0 -0
- {python_workflow_definition-0.1.3 → python_workflow_definition-0.1.4}/src/python_workflow_definition/shared.py +0 -0
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Metadata-Version: 2.4
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Name: python_workflow_definition
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Version: 0.1.
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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
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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
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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.
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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.
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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'
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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
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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.
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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.
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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",
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commit_id: COMMIT_ID
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__commit_id__: COMMIT_ID
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__version__ = version = '0.1.
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__version_tuple__ = version_tuple = (0, 1,
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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
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@@ -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.
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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,
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@@ -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("
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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("
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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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