Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron
python_workflow_definition-0.1.4
python_workflow_definition-0.1.4
What’s Changed
- Update pydantic limits by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/169
- Update jobflow to 0.3.1 by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/171
- Update cwl to 3.1.20260108082145 by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/172
- Update aiida-workgraph to 0.8.1 by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/170
Full Changelog: https://github.com/pythonworkflow/python-workflow-definition/compare/python_workflow_definition-0.1.3...python_workflow_definition-0.1.4
Download
python_workflow_definition-0.1.3
python_workflow_definition-0.1.3
What’s Changed
- Add unit tests by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/150
- feat: Add unit tests for the plot module by @google-labs-jules[bot] in https://github.com/pythonworkflow/python-workflow-definition/pull/153
- Add Unit Tests for Pydantic Models by @google-labs-jules[bot] in https://github.com/pythonworkflow/python-workflow-definition/pull/152
- Use Codecov to report coverage by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/154
- Add tests for workflow frameworks by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/155
- Add test for executorlib interface by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/158
- Add test for python interface by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/157
- Add pyiron_workflow test by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/156
- Add test for Common Workflow Language interface by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/159
- Update pyiron_base to 0.15.12 by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/160
- Add example notebooks for executorlib by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/161
- Fix the order of nodes for pyiron_base by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/163
- Restrict input values by @liamhuber in https://github.com/pythonworkflow/python-workflow-definition/pull/166
- Get version from git tag by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/149
Full Changelog: https://github.com/pythonworkflow/python-workflow-definition/compare/python_workflow_definition-0.1.2...python_workflow_definition-0.1.3
Download
python_workflow_definition-0.1.2
python_workflow_definition-0.1.2
What’s Changed
- Create CITATION.cff by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/120
- Follow standard directory structure by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/129
- Update Quantum ESPRESSO to 7.4 by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/125
- Update jobflow to 0.2.0 by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/134
- [New WfMS] Implement Python Workflow Definition in pyiron_workflow by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/111
- Update dependencies by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/138
- Test with aiida-workgraph 0.7.4 by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/136
- Update to quantum ESPRESSO 7.5 by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/143
- pyiron_base update to 0.15.5 by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/135
- Update citation by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/144
- Update dependencies by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/148
Full Changelog: https://github.com/pythonworkflow/python-workflow-definition/compare/python_workflow_definition-0.1.1...python_workflow_definition-0.1.2
Download
python_workflow_definition-0.1.1
python_workflow_definition-0.1.1
What’s Changed
- Move Workflow Management Systems to optional dependencies by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/109
- Update pyiron_base to 0.12.0 by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/108
- Aiida remove name parameter by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/110
- Update notebooks by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/113
Full Changelog: https://github.com/pythonworkflow/python-workflow-definition/compare/python_workflow_definition-0.1.0...python_workflow_definition-0.1.1
Download
python_workflow_definition-0.1.0
python_workflow_definition-0.1.0
What’s Changed
- Conda set conda-remove-defaults: true by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/84
- Add installation instructions by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/85
- Test NFDI4Ing issue by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/93
- Always define type in node definition by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/92
- Implement input node names by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/95
- Add result/output node by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/96
- Add pydantic validation by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/97
- Add version number to JSON format by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/100
- NFDI: provide source path as external variable by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/99
- Implement export to cwl by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/98
- Extend arithmetic example by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/101
- added explanatory text for the QE jobflow example by @QuantumChemist in https://github.com/pythonworkflow/python-workflow-definition/pull/87
- Move CWL functionality to init by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/102
cwl.load_workflow_json->cwl.pwd_to_cwlby @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/104- Bump Version Number to 0.1.0 by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/106
Full Changelog: https://github.com/pythonworkflow/python-workflow-definition/compare/python_workflow_definition-0.0.1...python_workflow_definition-0.1.0
Download
python_workflow_definition-0.0.1
python_workflow_definition-0.0.1
What’s Changed
- fix continuous integration by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/1
- reformat JSON file by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/2
- Test on mybinder by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/4
- Add jobflow test by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/3
- Export from pyiron_base to jobflow by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/5
- Fix jobflow loading pyiron_base by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/6
- Add simple example by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/7
- Fix bug in simple workflow by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/9
- The simple workflow produced from pyiron_base is broken by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/10
- Use JSON structure by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/12
- Use dict keys as strings by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/13
- Add aiida as requirement by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/14
- Add pure python interface by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/15
- Collect shared functionality in a shared module by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/16
- Test Executorlib by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/17
- Update pyiron_base by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/21
- Use JSON conversion for ASE atoms by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/20
- Use optimade to convert ASE atoms to JSON by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/22
- Adjust index handling in pyiron to be compatible to aiida by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/23
- Add AiiDA infrastructure by @GeigerJ2 in https://github.com/pythonworkflow/python-workflow-definition/pull/11
- Fix mybinder aiida installation by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/24
- Update Aiida workflow to show construction in notebook by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/25
- Combine notebooks for exporting to other frameworks by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/26
- Refactor quantum espresso parser by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/29
- Install aiida-workgraph from conda by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/28
- add notebooks by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/30
- Reduce number of notebooks by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/31
- Simplify aiida notebook through one-shot WG creation by @GeigerJ2 in https://github.com/pythonworkflow/python-workflow-definition/pull/32
- Execute aiida example by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/33
- Reduce JSON format by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/34
- Bug fix for pyiron_base interface by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/36
- Replace pythonjob task by normal task, drop usage of
pickle_nodeby @superstar54 in https://github.com/pythonworkflow/python-workflow-definition/pull/35 - Sort by workflows by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/38
- Fix file name by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/40
- Add a third workflow - comptaibility to NFDI4Ing by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/37
- Fixes by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/42
- Explain the abbreviation in the readme by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/43
- Update Jupyter notebooks by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/45
- Reduce aiida notebook by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/46
- Install aiida-workgraph from conda-forge by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/47
- Merge Workflows in one Pipeline by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/48
- Add jupyter book by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/49
- Use conda_subprocess in NFDI example by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/50
- Resort imports in AiiDA module by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/51
- Replace cryptic edges notation with elk inspired edges by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/52
- Convert nodes to list of dictionaries by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/53
- Simplify updating the format by defining the labels only once by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/55
- Add plotting function by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/54
- Update simple example to be a bit more complex by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/58
- Update notebooks by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/59
- Plot: switch order of arguments by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/60
- Use dictionary notation in plot by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/61
- update plots in notebooks by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/62
- black formatting by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/64
- pyiron return list of objects rather than just the last object by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/63
- change input after reloading workflow by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/65
- Update pyiron_base by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/66
- pyiron: set local folder as default project by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/67
- Add type hints by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/68
- Rename add_x_and_y() to get_sum() by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/69
- Rename simple to arithmetic by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/70
- execute all notebooks on mybinder by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/71
- Add black formatting by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/72
- Remove quantum espresso parser from NFDI example by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/74
- Update pyiron_base by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/75
- Move examples to separate folder by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/73
- Rename book to documentation by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/76
- Add LICENSE by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/77
- Update links to markdown files by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/78
- remove data from datastore by @JaGeo in https://github.com/pythonworkflow/python-workflow-definition/pull/79
- added explanatory text to the jobflow tutorial by @QuantumChemist in https://github.com/pythonworkflow/python-workflow-definition/pull/80
- update jobflow updates by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/81
- Update URL for jupyterbook by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/82
- Add pip check by @jan-janssen in https://github.com/pythonworkflow/python-workflow-definition/pull/83
New Contributors
- @GeigerJ2 made their first contribution in https://github.com/pythonworkflow/python-workflow-definition/pull/11
- @superstar54 made their first contribution in https://github.com/pythonworkflow/python-workflow-definition/pull/35
- @JaGeo made their first contribution in https://github.com/pythonworkflow/python-workflow-definition/pull/79
- @QuantumChemist made their first contribution in https://github.com/pythonworkflow/python-workflow-definition/pull/80
Full Changelog: https://github.com/pythonworkflow/python-workflow-definition/commits/python_workflow_definition-0.0.1
Download
- Source: https://github.com/pythonworkflow/python-workflow-definition
- JSON API: repos.ecosyste.ms
-
PURL:
pkg:github/pythonworkflow/python-workflow-definition
- Stars 17
- Forks 8
- Open issues 24
- License bsd-3-clause
- Language Jupyter Notebook
- Size 5.23 MB
- Created at 12 months ago
- Updated at 12 days ago
- Pushed at 12 days ago
- Last synced at 11 days ago
- Dependencies parsed at Pending