pyiron_workflow-0.3.0

What's Changed

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

New Contributors

• @samwaseda made their first contribution in #185

Full Changelog: pyiron_workflow-0.2.1...pyiron_workflow-0.3.0

pyiron_workflow-0.2.1

What's Changed

• Don't enforce defaults for the bulk structure command by @liamhuber in #141

Full Changelog: pyiron_workflow-0.2.0...pyiron_workflow-0.2.1

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

Full Changelog: pyiron_workflow-0.1.2...pyiron_workflow-0.2.0

pyiron_workflow-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 #108
• Move generic stuff into a new submodule by @liamhuber in #109
• Stop version checking tests by @liamhuber in #110
• Clean dependency usage by @liamhuber in #111
• Test docs by @liamhuber in #112

Full Changelog: pyiron_workflow-0.1.1...pyiron_workflow-0.1.3

pyiron_workflow-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 #108
• Move generic stuff into a new submodule by @liamhuber in #109
• Stop version checking tests by @liamhuber in #110
• Clean dependency usage by @liamhuber in #111
• Test docs by @liamhuber in #112

Full Changelog: pyiron_workflow-0.1.1...pyiron_workflow-0.1.2

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

New Contributors

• @niklassiemer made their first contribution in #88

Full Changelog: pyiron_workflow-0.1.0...pyiron_workflow-0.1.1

pyiron_workflow-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 #53
• Bump pyiron-atomistics from 0.3.4 to 0.3.5 by @dependabot in #55
• Pull recursively by @liamhuber in #59
• Shuffle dependencies by @liamhuber in #63
• Draw channel links by @liamhuber in #64
• Allow trivial re-assignment by @liamhuber in #65
• Value validation by @liamhuber in #66
• Bump matplotlib from 3.8.0 to 3.8.1 by @dependabot in #69
• Spec and test by @liamhuber in #70

Full Changelog: pyiron_workflow-0.0.3...pyiron_workflow-0.1.0

pyiron_workflow-0.0.3

What's Changed

• Bump pyiron-base from 0.6.7 to 0.6.8 by @dependabot in #44
• Bump cloudpickle from 2.2.1 to 3.0.0 by @dependabot in #45
• Add a pull() method by @liamhuber in #47

Full Changelog: pyiron_workflow-0.0.2...pyiron_workflow-0.0.3

pyiron_workflow-0.0.2

What's Changed

• Remove the references to the server by @liamhuber in #21
• Add explicit conda env dependency on pyiron-data by @liamhuber in #22
• Have input channels pull instead of output channels pushing by @liamhuber in #24
• Better input interface by @liamhuber in #25
• Allow replacing nodes by @liamhuber in #26
• Allow the function node to be a method by @liamhuber in #27
• Update versioneer for Python 3.12 compatibility by @jan-janssen in #31
• Bump maggma from 0.57.1 to 0.57.4 by @dependabot in #29
• Copy more than connections by @liamhuber in #34
• Executors for composite by @liamhuber in #39
• No io by reference for macros by @liamhuber in #37
• Introduce coupling between input channels by @liamhuber in #36
• EDIT: Executable Composites by @liamhuber in #23

New Contributors

• @jan-janssen made their first contribution in #31
• @dependabot made their first contribution in #29

Full Changelog: pyiron_workflow-0.0.1...pyiron_workflow-0.0.2

pyiron_workflow-0.0.1

What's Changed

• Transfer executor by @liamhuber in #16
• Transfer workflow files by @liamhuber in #2
• Patch labels by @liamhuber in #17
• Update module name by @liamhuber in #1

New Contributors

• @liamhuber made their first contribution in #16

Full Changelog: https://github.com/pyiron/pyiron_workflow/commits/pyiron_workflow-0.0.1