python-workflow-definition - 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/pythonworkflowdefinition-0.1.0...pythonworkflowdefinition-0.1.1

- Jupyter Notebook
Published by jan-janssen 9 months ago

python-workflow-definition - 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_cwl by @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/pythonworkflowdefinition-0.0.1...pythonworkflowdefinition-0.1.0

- Jupyter Notebook
Published by jan-janssen 10 months ago

python-workflow-definition - 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_node by @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 addxandy() to getsum() 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/pythonworkflowdefinition-0.0.1

- Jupyter Notebook
Published by jan-janssen 11 months ago