Pyiron-workflow

The interface for `pyiron_base` jobs that use a `Node` has been updated.

What's Changed
* Explicitly depend on base by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/219
* [breaking] Rename NodeJob to StoredNodeJob by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/221
* [breaking] Replace the wrapper job with a more robust job subclass by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/222


**Full Changelog**: https://github.com/pyiron/pyiron_workflow/compare/pyiron_workflow-0.3.0...pyiron_workflow-0.4.0

What's Changed
* Bump pyiron-atomistics from 0.3.11 to 0.4.1 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/142
* Bump atomistics from 0.1.15 to 0.1.19 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/144
* Readthedocs polish by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/145
* Raise the intuitive type of error by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/146
* Notebooks env patch by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/149
* Don't remove a readme that isn't there by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/150
* Working dir emptiness check by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/157
* Move the `files` submodule over to `snippets` by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/158
* Registration by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/147
* Registration by identifier alone by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/156
* Bump pyiron-atomistics from 0.4.4 to 0.4.6 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/164
* Polish the docs by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/168
* Expose root node by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/165
* Introduce ~semantic~ graph path by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/167
* Add a shortcut for removing file(s) by name by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/159
* Bump pyiron-atomistics from 0.4.6 to 0.4.7 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/170
* Propagate version change to conda env by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/172
* Accumulate run signals with scoped labels not objects by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/173
* `NOT_DATA` should work like None in the if-statement by samwaseda in https://github.com/pyiron/pyiron_workflow/pull/185
* :bug: stop running by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/177
* Copy and update __dict__ by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/176
* Composites pass self instead of children and starting nodes by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/175
* Callbacks as strings by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/174
* Non-reflexive state by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/178
* `NotData` as singleton instead by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/179
* Parent decorated nodes to the module their function came from by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/180
* Store with h5io by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/181
* Bump atomistics from 0.1.20 to 0.1.21 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/183
* Bump pyiron-atomistics from 0.4.7 to 0.4.9 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/186
* Semantic storage path by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/187
* Purge and restore starting nodes from the state by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/188
* Patch tinybase safe save dynamics by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/198
* Add a convenience method for reporting importability by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/199
* Fail early if h5io won't be able to re-instantiate a node by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/197
* Bump pyiron-atomistics from 0.4.9 to 0.4.13 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/202
* Bump numpy from 1.26.3 to 1.26.4 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/201
* Bump atomistics from 0.1.21 to 0.1.23 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/204
* Bump pympipool from 0.7.9 to 0.7.13 by dependabot in https://github.com/pyiron/pyiron_workflow/pull/200
* Fix registration by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/206
* Add and test wrappers for sticking nodes in a pyiron job by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/189
* Make NodeJob compliant with the storage interface by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/209
* A first pass at storage by liamhuber in https://github.com/pyiron/pyiron_workflow/pull/160

New Contributors
* samwaseda made their first contribution in https://github.com/pyiron/pyiron_workflow/pull/185

**Full Changelog**: https://github.com/pyiron/pyiron_workflow/compare/pyiron_workflow-0.2.1...pyiron_workflow-0.3.0

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

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

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

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