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base repository: pythonworkflow/python-workflow-definition
base: 0b9d580
head repository: pythonworkflow/python-workflow-definition
compare: 1660b50
- 14 commits
- 37 files changed
- 5 contributors
Commits on May 29, 2025
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* Create CITATION.cff * Update README.md * Update README.md
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Commits on Oct 21, 2025
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Follow standard directory structure (#129)
* Follow standard directory structure * fix license * Update environment.yml * Update pipeline.yml * Update environment.yml * Update pipeline.yml * Update environment.yml * Update environment.yml
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Update jobflow to 0.2.0 (#134)
* Update pyproject.toml * Update environment.yml * Update pyproject.toml * Update environment.yml
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Commits on Oct 22, 2025
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[New WfMS] Implement Python Workflow Definition in pyiron_workflow (#111
) * Implement Python Workflow Definition in pyiron_workflow * black formatting * bug fix * add function to load workflow from JSOn - not working * black formatting * Add json-to-Workfow function Signed-off-by: liamhuber <liamhuber@greyhavensolutions.com> * Update python_workflow_definition/src/python_workflow_definition/pyiron_workflow.py * merge Liam's changes * black formatting * update notebooks * fix file name * Add pyiron_workflow to all universal notebooks * update notebooks for other workflow frameworks * fix reuse of functions * black formatting * Add NFDI example * dynamic get_dict() function * dynamic get_list() function * add s_ to input parameters * uniquue child names * silence validation * handle special case of get_list() * black formatting * test quantum espresso export * Add files via upload * update write_workflow_json() * black formatting * update notebook * Add files via upload --------- Signed-off-by: liamhuber <liamhuber@greyhavensolutions.com> Co-authored-by: liamhuber <liamhuber@greyhavensolutions.com> Co-authored-by: Liam Huber <liam.huber@gmail.com>
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* Update pyproject.toml * Update environment.yml * Update pyproject.toml * Update environment.yml * Update environment.yml * Update environment.yml * Update environment.yml * Update environment.yml * Update environment.yml
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Commits on Oct 23, 2025
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Upgrade to aiida-workgraph 0.7.4 (#136)
--------- Co-authored-by: Julian Geiger <julian.geiger@gmx.net> Co-authored-by: superstar54 <xingwang1991@gmail.com>
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Commits on Oct 24, 2025
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Update to quantum ESPRESSO 7.5 (#143)
* Update environment.yml * Add files via upload
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pyiron_base update to 0.15.5 (#135)
* Update pyproject.toml * Update environment.yml * Update environment.yml * Update environment.yml * Update pyiron_base.py * Update environment.yml * Update environment.yml * Update pyiron_base.py * test with latest version * Update environment.yml * Add files via upload
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* Update README.md * Update README.md * Update CITATION.cff
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Commits on Dec 4, 2025
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* Update dependencies * Update pyproject.toml * Update pyproject.toml * Update environment.yml * Update environment.yml * Update environment.yml * Update environment.yml * Update environment.yml
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