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base repository: pythonworkflow/python-workflow-definition
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base: python_workflow_definition-0.0.1
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head repository: pythonworkflow/python-workflow-definition
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compare: python_workflow_definition-0.1.0
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  • 16 commits
  • 33 files changed
  • 3 contributors

Commits on Apr 25, 2025

  1. Conda set conda-remove-defaults: true (#84)

    * Conda set conda-remove-defaults: true
    
    * use conda config
    jan-janssen authored Apr 25, 2025
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Commits on May 3, 2025

  1. Test NFDI4Ing issue (#93)

    * Test commit
    
    * Fix sympy
    jan-janssen authored May 3, 2025
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  2. Always define type in node definition (#92)

    * Always define type in node definition
    
    * black formatting
    jan-janssen authored May 3, 2025
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Commits on May 11, 2025

  1. Implement input node names (#95)

    * Implement input node names
    
    * black formatting
    jan-janssen authored May 11, 2025
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  2. Add result/output node (#96)

    * Add result/output node
    
    * rename function parameter
    
    * update documentation
    
    * set result node
    
    * fix black
    
    * fix plot
    
    * fix node id
    jan-janssen authored May 11, 2025
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  3. Add pydantic validation (#97)

    * Add pydantic validation
    
    * remove unused import
    
    * black formatting
    
    * return dict rather than pydantic model
    
    * different dictionary conversion
    
    * nested conversion
    
    * fix dictionary conversion
    
    * use model dump again
    jan-janssen authored May 11, 2025
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Commits on May 12, 2025

  1. Update readme data type

    jan-janssen authored May 12, 2025
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Commits on May 14, 2025

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  2. NFDI: provide source path as external variable (#99)

    * NFDI: provide source path as external variable
    
    * Update jupyter notebooks
    
    * Remove hardcoded source path
    
    * Update workflow.py
    
    * Update workflow.py
    
    * Update workflow.py
    jan-janssen authored May 14, 2025
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  3. Implement export to cwl (#98)

    * Implement export to cwl
    
    * fixes
    
    * copy workflow file
    
    * fix
    
    * fix path
    
    * copy file
    
    * last fix for tonight
    
    * another try
    
    * fix function name
    
    * number all steps
    
    * fix links
    
    * add more CWL workflows
    
    * more fixes
    
    * more fixes
    
    * black formatting
    
    * iterate over keys
    
    * create a cwl file for every node
    
    * fix import of internal functions
    
    * fix internal functions
    
    * fix spelling
    
    * fix function import
    
    * fix quantum espresso
    
    * fix nfdi
    jan-janssen authored May 14, 2025
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  4. Extend arithmetic example (#101)

    * Extend arithmetic example
    
    * update jupyter notebooks
    
    * aiida fix
    
    * jobflow fix
    
    * pyiron_base fix
    jan-janssen authored May 14, 2025
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Commits on May 15, 2025

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  2. cwl.load_workflow_json -> cwl.pwd_to_cwl (#104)

    * `cwl.load_workflow_json` -> `cwl.pwd_to_cwl`
    
    * Rename to write_workflow
    
    ---------
    
    Co-authored-by: Julian Geiger <julian.geiger@psi.ch>
    jan-janssen and GeigerJ2 authored May 15, 2025
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Commits on May 16, 2025

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