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

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Merged
jan-janssen merged 31 commits into from
Oct 22, 2025
Merged

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

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3bdaee6
Implement Python Workflow Definition in pyiron_workflow
jan-janssen May 23, 2025
fbbcc08
black formatting
jan-janssen May 23, 2025
1df9b19
bug fix
jan-janssen May 23, 2025
2bc578b
add function to load workflow from JSOn - not working
jan-janssen May 23, 2025
55a0764
black formatting
jan-janssen May 23, 2025
9830048
Add json-to-Workfow function
liamhuber May 23, 2025
038bc85
Update python_workflow_definition/src/python_workflow_definition/pyir…
liamhuber May 23, 2025
9739b47
merge Liam's changes
jan-janssen May 24, 2025
602fa70
black formatting
jan-janssen May 24, 2025
aed419c
Merge remote-tracking branch 'origin/main' into pyiron_workflow
jan-janssen May 24, 2025
d743bea
update notebooks
jan-janssen May 24, 2025
81b7df7
fix file name
jan-janssen May 24, 2025
78ae48b
Add pyiron_workflow to all universal notebooks
jan-janssen May 24, 2025
4188e24
update notebooks for other workflow frameworks
jan-janssen May 24, 2025
264b43d
fix reuse of functions
jan-janssen May 24, 2025
0fd2a9a
black formatting
jan-janssen May 24, 2025
09a5db0
Add NFDI example
jan-janssen May 24, 2025
f72e7f1
dynamic get_dict() function
jan-janssen May 25, 2025
f0894f1
dynamic get_list() function
jan-janssen May 25, 2025
c027262
add s_ to input parameters
jan-janssen May 25, 2025
39b9d56
uniquue child names
jan-janssen May 25, 2025
1b245ae
silence validation
jan-janssen May 25, 2025
613db09
handle special case of get_list()
jan-janssen May 25, 2025
e80d591
black formatting
jan-janssen May 25, 2025
a127e65
test quantum espresso export
jan-janssen May 25, 2025
68e145f
Add files via upload
jan-janssen May 25, 2025
373df59
update write_workflow_json()
jan-janssen May 26, 2025
560fa19
black formatting
jan-janssen May 26, 2025
9e541a6
update notebook
jan-janssen May 26, 2025
9636be6
Add files via upload
jan-janssen May 26, 2025
2165917
Merge remote-tracking branch 'origin/main' into pyiron_workflow
jan-janssen Oct 22, 2025
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@jan-janssen
jan-janssen authored May 26, 2025
commit 9636be6410b8eb53443092f9f566724edf831e75
2 changes: 1 addition & 1 deletion example_workflows/quantum_espresso/pyiron_workflow.ipynb
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