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Commits on Dec 4, 2025

• Fix output directory

  jan-janssen

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• Update version number

  jan-janssen

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• Fix pypi package release

  jan-janssen

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• Update dependencies (#148)

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  jan-janssen

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Commits on Oct 24, 2025

• Update citation (#144)

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  jan-janssen

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• pyiron_base update to 0.15.5 (#135)

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  jan-janssen

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• Update to quantum ESPRESSO 7.5 (#143)

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  jan-janssen

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Commits on Oct 23, 2025

• Upgrade to aiida-workgraph 0.7.4 (#136)

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Commits on Oct 22, 2025

• Update dependencies (#138)

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  jan-janssen

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• [New WfMS] Implement Python Workflow Definition in pyiron_workflow (#111)

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  jan-janssen

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  liamhuber

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Commits on Oct 21, 2025

• Update jobflow to 0.2.0 (#134)

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  jan-janssen

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  04c0adb

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• Update Quantum ESPRESSO to 7.4 (#125)

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  jan-janssen

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• Follow standard directory structure (#129)

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  jan-janssen

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Commits on May 29, 2025

• Create CITATION.cff (#120)

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  jan-janssen

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Commits on May 24, 2025

• Update notebooks (#113)

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  jan-janssen

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Commits on May 21, 2025

• Aiida remove name parameter (#110)

  jan-janssen

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Commits on May 17, 2025

• Update pyiron_base to 0.12.0 (#108)

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  jan-janssen

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• Move Workflow Management Systems to optional dependencies (#109)

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  jan-janssen

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Commits on May 16, 2025

• Bump Version Number to 0.1.0 (#106)

  jan-janssen

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Commits on May 15, 2025

• `cwl.load_workflow_json` -> `cwl.pwd_to_cwl` (#104)

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  jan-janssen

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  GeigerJ2

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  a9e68b3

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• Move CWL functionality to init (#102)

  jan-janssen

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  3af91a5

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Commits on May 14, 2025

• added explanatory text for the qe jobflow example (#87)

  QuantumChemist

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  71b2c30

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• Extend arithmetic example (#101)

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  jan-janssen

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• Implement export to cwl (#98)

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  jan-janssen

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

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  jan-janssen

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  3cc67cf

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• Add version number to JSON format (#100)

  jan-janssen

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  486ce11

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Commits on May 12, 2025

• Update readme data type

  jan-janssen

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Commits on May 11, 2025

• Add pydantic validation (#97)

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  jan-janssen

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• Add result/output node (#96)

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  jan-janssen

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• Implement input node names (#95)

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  jan-janssen

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  10d9f7f

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Commits on May 3, 2025

• Always define type in node definition (#92)

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  jan-janssen

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  ad4b8a9

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• Test NFDI4Ing issue (#93)

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  jan-janssen

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Commits on Apr 25, 2025

• Add installation instructions (#85)

  jan-janssen

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  d3ae576

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

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  jan-janssen

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• change path

  jan-janssen

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