Pyiron-workflow

Latest version: v0.12.2

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0.2.1

What's Changed
* Don't enforce defaults for the bulk structure command by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/141


**Full Changelog**: https://github.com/pyiron/pyiron_workflow/compare/pyiron_workflow-0.2.0...pyiron_workflow-0.2.1

0.2.0

Big user facing changes are the ability to directly perform operations on output channels (or single value nodes), and to define macro IO in a function-like way (in addition/alternative to the IO maps).

What's Changed
* Bump pyiron-atomistics from 0.3.7 to 0.3.10 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/105
* Bump numpy from 1.26.0 to 1.26.2 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/76
* Simpler connection check by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/114
* Free `>` from its use in creating execution flows by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/118
* Introduce a readiness report and use it by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/119
* Canonically scoped labels for channels by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/120
* No owned creators by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/121
* Take class names directly from decorated functions by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/123
* Inject output nodes by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/125
* Extend standard nodes by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/124
* Nested packages by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/133
* Bump pyiron-atomistics from 0.3.10 to 0.3.11 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/130
* Bump atomistics from 0.1.12 to 0.1.15 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/135
* Hotfix `draw` by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/136
* Try adding a pip install to readthedocs.yml by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/137
* Macro interface by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/134


**Full Changelog**: https://github.com/pyiron/pyiron_workflow/compare/pyiron_workflow-0.1.2...pyiron_workflow-0.2.0

0.1.3

Re-release because publishing to pypi failed, and github doesn't actually reload upstream workflows on re-running.

What's Changed
* Unpin pytables by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/108
* Move generic stuff into a new submodule by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/109
* Stop version checking tests by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/110
* Clean dependency usage by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/111
* Test docs by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/112


**Full Changelog**: https://github.com/pyiron/pyiron_workflow/compare/pyiron_workflow-0.1.1...pyiron_workflow-0.1.3

0.1.2

Just some housekeeping, with tests for the docs and dependency management.

EDIT: The upstream reusable pypi release workflow borked; re-running the workflow doesn't use the updated upstream workflow, and I couldn't find a way to force-re-trigger the release:publish action from scratch. 0.1.3 is thus just a clean re-release of this version, and this version is defunct.

What's Changed
* Unpin pytables by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/108
* Move generic stuff into a new submodule by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/109
* Stop version checking tests by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/110
* Clean dependency usage by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/111
* Test docs by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/112


**Full Changelog**: https://github.com/pyiron/pyiron_workflow/compare/pyiron_workflow-0.1.1...pyiron_workflow-0.1.2

0.1.1

Biggest changes are support for `pympipool` executors and proper parallelism in the automatic DAG execution flow by leveraging new "accumulating" input signals, as well as a partial node library for the `atomistics` package.

What's Changed
* Make py files node packages by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/79
* Nodes for the `atomistics` package by jan-janssen in https://github.com/pyiron/pyiron_workflow/pull/78
* Refactor macros by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/80
* Bump matplotlib from 3.8.1 to 3.8.2 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/82
* Bump pyiron-base from 0.6.8 to 0.6.9 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/83
* Bump pyiron-atomistics from 0.3.5 to 0.3.7 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/89
* Handle actions itself in the dependabot updates by niklassiemer in https://github.com/pyiron/pyiron_workflow/pull/88
* Expose dict values as list by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/93
* Expose a subset of graphviz.Graph.render options inside Node.draw by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/94
* Can run right away by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/96
* Output labels as args by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/97
* Use the pympipool executor by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/77
* Full parallelism by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/98
* Move node packages by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/103

New Contributors
* niklassiemer made their first contribution in https://github.com/pyiron/pyiron_workflow/pull/88

**Full Changelog**: https://github.com/pyiron/pyiron_workflow/compare/pyiron_workflow-0.1.0...pyiron_workflow-0.1.1

0.1.0

The major change is that macros are now "walled gardens" with their own IO, while workflows (a parent-most object) retain the property of passing their children's IO by reference. The result is that both macros and workflows can be executed on an executor, and improved nesting of graphs.

What's Changed
* Fix node registration by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/53
* Bump pyiron-atomistics from 0.3.4 to 0.3.5 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/55
* Pull recursively by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/59
* Shuffle dependencies by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/63
* Draw channel links by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/64
* Allow trivial re-assignment by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/65
* Value validation by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/66
* Bump matplotlib from 3.8.0 to 3.8.1 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/69
* Spec and test by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/70


**Full Changelog**: https://github.com/pyiron/pyiron_workflow/compare/pyiron_workflow-0.0.3...pyiron_workflow-0.1.0

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