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Recent Releases of https://github.com/aiidateam/aiida-workgraph

https://github.com/aiidateam/aiida-workgraph - v0.6.0

What's Changed

  • Use build_zone logic from node-graph by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/484
  • Update graph-level input/output documentation by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/494
  • Move Scheduler out by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/495
  • Move note regarding add_input to after running the workgraph by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/498
  • Do not split ctx in the GUI by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/499
  • Rename active zones to If, While, and Map by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/501
  • Improving error message when no workgraph is returned in graph builder by @ayushjariyal in https://github.com/aiidateam/aiida-workgraph/pull/455
  • Serialize the group_inputs and ctx by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/503
  • Discard protocol docs by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/504
  • Rework the how-to about integration aiida-core components into WorkGraph by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/497
  • Update map by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/510
  • Fix the outputs parameters of the graph_builder decorator by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/506
  • Introduce graph builder in concept section in RTD by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/515
  • Rework while how-to by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/524
  • Consolidate map zone and aggregate into parallel how-to by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/517
  • Update continue finished workgraphs how-to section by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/513
  • Revise RTD HowTos/graph_builder by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/485
  • Revise RTD HowTo/context by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/514
  • Support submitting WorkGraph builder by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/527
  • Always return the task's outputs by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/529
  • Add back missing doc sections by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/534
  • Update continue-finished-workgraph section by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/528
  • Implement WorkGraph.__call__ to allow graph-to-task creation in context managers by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/536
  • Use the sphinx gallery version of context how-to by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/533
  • Docs: HowTo/if updates by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/489
  • Add namespace doc by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/520
  • Docs: HowTo/zone to autogen py file by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/537
  • Remove the zero to hero section by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/549
  • Refactor @task.graph_builder to @task.graph by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/554
  • Support lshift and rshit operators between Task and Socket by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/553
  • Unify inputs API by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/556
  • Fix the outputs of the WorkGraph task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/558
  • Refactor the WorkGraph concepts by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/539
  • Update "how to combine workgraphs" section by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/507
  • Add migration from aiida-core section by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/548
  • Rename parallel section to Run tasks in parallel by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/550
  • Revise how-to about error resistant workflows by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/541
  • Fix pickle error for AiiDA process by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/568
  • Add default interval and timeout inputs for monitor task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/569
  • Fix serialization failure of the outputs in Widget view by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/570
  • Update node-graph dependency to 0.2.13 by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/573
  • Add shelljob function, and update the docs by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/572
  • Set default name for all AiiDA component tasks by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/571
  • Update monitoring task how to by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/565
  • Refactor awaitable decorator to a new how-to section by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/566
  • Merge save and restart into continue a workflow section by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/562
  • Update graph-level inputs-outputs section by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/559
  • Merge graph-level tasks to the normal tasks by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/576
  • Clean the files left over from the Scheduler by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/578
  • Remove While WorkGraph in the engine by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/579
  • [Docs] add remote_job by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/577
  • Convert how-to sections to gallery scripts by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/575
  • Allow graph-level inputs directly by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/580
  • Remove usage of aiida-scheduler by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/581
  • Remove outdated builtin sections (monitor) by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/585
  • Update to node-graph v0.2.15 and expose group utility by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/586
  • Remove references to protocol section by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/542
  • Docs: Add HowTo control-flow by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/547
  • [Docs] add Graph task for While logic by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/587
  • Map tuple results to the wg outputs by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/595
  • decorator uses dict as socket data by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/592
  • Update GUI docs by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/596
  • use function name as the name of the WorkGraph generated from the task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/597
  • Replace get_graph by build_graph by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/598
  • Docs: Interoperate with aiida-core components by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/600
  • [Doc] add Control task execution order by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/599
  • Fix required metadata when constructing ports by @t-reents in https://github.com/aiidateam/aiida-workgraph/pull/602
  • Write workflow using node-graph programming paradigm by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/546
  • Support aiida-core 2.7 by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/605
  • Fix aiida-core dependency by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/606
  • Clean unused doc files by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/607
  • Add overview page by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/604
  • Update quick start docs by @edan-bainglass in https://github.com/aiidateam/aiida-workgraph/pull/591
  • Bump node-graph to 0.2.19 by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/608

New Contributors

  • @edan-bainglass made their first contribution in https://github.com/aiidateam/aiida-workgraph/pull/494
  • @t-reents made their first contribution in https://github.com/aiidateam/aiida-workgraph/pull/602

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.5.3...v0.6.0

- Python
Published by superstar54 7 months ago

https://github.com/aiidateam/aiida-workgraph - v0.5.3

What's Changed

  • Heper function to submit WorkChain to scheduler by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/461
  • Fix stale process in scheduler: by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/462
  • Check if node exist before adding to the waiting list by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/464
  • Improve scheduler performance by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/465
  • Repair stuck processes in scheduler by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/466
  • Add set-max-workflows cli by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/467
  • Use link label to build the task name by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/468
  • Fix pk in continue_process by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/469
  • Add meta tasks for group_inputs, group_outputs and ctx by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/470
  • Fix failed docs build by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/471
  • Add unsafe load option by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/476

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.5.2...v0.5.3

- Python
Published by superstar54 8 months ago

https://github.com/aiidateam/aiida-workgraph - v0.5.2

What's Changed

  • Adding function for custom type mapping by @ayushjariyal in https://github.com/aiidateam/aiida-workgraph/pull/457
  • Add Scheduler by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/459
  • Fix max-calcjobs in scheduler by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/460

New Contributors

  • @ayushjariyal made their first contribution in https://github.com/aiidateam/aiida-workgraph/pull/457

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.5.1...v0.5.2

- Python
Published by superstar54 10 months ago

https://github.com/aiidateam/aiida-workgraph - v0.5.1

What's Changed

  • Use pyfunction by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/454
  • Do not run widget hook by default by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/458

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.5.0...v0.5.1

- Python
Published by superstar54 11 months ago

https://github.com/aiidateam/aiida-workgraph - v0.5.0

What's Changed

  • Small fix in the doc by @mikibonacci in https://github.com/aiidateam/aiida-workgraph/pull/394
  • Fix PythonJob need aiida_workgraph on remote computer by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/396
  • De-serialize safe by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/400
  • Migrate workgraph data from base.extras to base.attributes by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/410
  • WorkGraph task with proper sub-tasks by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/411
  • Add __repr__ and __str__ to WG by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/418
  • Save pickled data as an updatable attribute by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/412
  • Refactor the decorator.py using TaskFactory by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/420
  • Refactor task manager by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/421
  • Add logic instruction: if_ and while_ by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/409
  • Use EntryPointPool by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/422
  • Refactor If_ and While_ using BaseFlowBlock, fix task zone handling by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/423
  • Fix PythonJob deserializer by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/424
  • Add Map tasks by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/426
  • Enhancing WorkGraphEngine Execution in aiida-workgraph by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/428
  • Add schema by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/429
  • Fix the function outputs of PythonJob by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/430
  • Add map info to the attribute by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/431
  • Support dynamic inputs by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/434
  • Fix PythonJob inputs by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/435
  • Add feature to create Task from AiiDA ProcessBuilder by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/432
  • Add graph manager and task wrapper by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/437
  • Implements context namespace with accessor for syntactic sugar by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/433
  • Add graph attribute to Task: by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/440
  • Fix link limit for the calcfunction task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/441
  • Check task's parent is None before adding it as child by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/442
  • Rename TaskCollection to TaskSet by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/443
  • Drop usage of {{}} and remove str type in property by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/444
  • Fix imported pythonjob task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/446
  • Improved makefile for docs build by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/416
  • Update quick start by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/447
  • Add shold_serialize key by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/449
  • Do not de-serialize data when loading PytohnJob task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/451
  • Remove execution count and while workgraph type by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/452

New Contributors

  • @mikibonacci made their first contribution in https://github.com/aiidateam/aiida-workgraph/pull/394

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.10...v0.5.0

- Python
Published by superstar54 11 months ago

https://github.com/aiidateam/aiida-workgraph -

- Python
Published by superstar54 11 months ago

https://github.com/aiidateam/aiida-workgraph - v0.5.0a5

What's Changed

  • Add feature to create Task from AiiDA ProcessBuilder by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/432
  • Add graph manager and task wrapper by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/437
  • Implements context namespace by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/433
  • Add graph attribute to Task: by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/440

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.5.0a4...v0.5.0a5

- Python
Published by superstar54 11 months ago

https://github.com/aiidateam/aiida-workgraph - v0.5.0a4

What's Changed

  • Fix the function outputs of PythonJob by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/430
  • Add map info to the attribute by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/431
  • Support dynamic inputs by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/434
  • Fix PythonJob inputs by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/435

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.5.0a3...v0.5.0a4

- Python
Published by superstar54 11 months ago

https://github.com/aiidateam/aiida-workgraph - v0.5.0a3

What's Changed

  • Add Map zone and map_ instruction by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/426
  • Use WorkGraph object inside the engine by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/428
  • Add schema by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/429

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.5.0a2...v0.5.0a3

- Python
Published by superstar54 12 months ago

https://github.com/aiidateam/aiida-workgraph - v0.5.0a2

What's Changed

  • Refactor If_ and While_ using BaseFlowBlock, fix task zone handling by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/423
  • Fix PythonJob deserializer by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/424

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.5.0a1...v0.5.0a2

- Python
Published by superstar54 12 months ago

https://github.com/aiidateam/aiida-workgraph - v0.5.0a1

What's Changed

  • Small fix in the doc by @mikibonacci in https://github.com/aiidateam/aiida-workgraph/pull/394
  • Fix PythonJob need aiida_workgraph on remote computer by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/396
  • De-serialize safe by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/400
  • Migrate workgraph data from base.extras to base.attributes by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/410
  • WorkGraph task with proper sub-tasks by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/411
  • Add __repr__ and __str__ to WG by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/418
  • Save pickled data as an updatable attribute by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/412
  • Refactor the decorator.py using TaskFactory by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/420
  • Refactor task manager by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/421
  • Add logic instruction: if_ and while_ by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/409
  • Use EntryPointPool by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/422

New Contributors

  • @mikibonacci made their first contribution in https://github.com/aiidateam/aiida-workgraph/pull/394

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.10...v0.5.0a1

- Python
Published by superstar54 12 months ago

https://github.com/aiidateam/aiida-workgraph - v0.4.10

What's Changed

  • Add test for setting inputs for non dynamic namespace by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/386
  • Refactor AIIDA_CONFIG_FOLDER -> AiiDAConfigDir by @khsrali in https://github.com/aiidateam/aiida-workgraph/pull/387
  • Add AiiDAProcessTask by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/389
  • Raise an exception explicitly when the timeout is exceeded by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/390
  • Syntactic sugar to add a task to the zone by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/391

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.8...v0.4.10

- Python
Published by superstar54 about 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.4.9

What's Changed

  • Add test for setting inputs for non dynamic namespace by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/386
  • Refactor AIIDA_CONFIG_FOLDER -> AiiDAConfigDir by @khsrali in https://github.com/aiidateam/aiida-workgraph/pull/387
  • Add AiiDAProcessTask by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/389
  • Raise an exception explicitly when the timeout is exceeded by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/390

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.8...v0.4.9

- Python
Published by superstar54 about 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.4.8

What's Changed

  • Add more test by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/378
  • bump node-graph to 0.1.5 by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/380
  • create input sockets and links for items inside a dynamic socket by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/381
  • Save pickled function as AiiDA node by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/383
  • Recursively process nested dictionaries when setting a dynamic port socket by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/384

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.7...v0.4.8

- Python
Published by superstar54 about 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.4.7

What's Changed

  • Bump aiida-pythonjob to 0.1.4 by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/373
  • Use node-graph-widget by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/375
  • Remove web app by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/376
  • Move to src folder by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/377

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.6...v0.4.7

- Python
Published by superstar54 about 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.4.6

What's Changed

  • Pass list of names for task input/output directly by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/343
  • Add .vscode directory to gitignore by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/344
  • Make "name" specifier of parser_outputs optional by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/349
  • Avoid passing None to arguments of prepare_shell_job_inputs by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/351
  • Visualize nodes inputs for ShellJob tasks by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/347
  • bump node-graph to 0.1.2 by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/352
  • Update root property in the case of nest namespace by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/350
  • Refactor TaskSocket by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/363
  • Move PythonJob out by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/364
  • remove createcondaenv from pythonjob by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/366
  • Refactor engine by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/367
  • Clean unused code by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/369
  • swap key and value in set_context by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/371
  • Allow mixed str/dict inputs/outputs to tasks by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/345
  • Hide metadata inputs for tasks in HTML visualization. by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/346
  • Improve test coverage by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/372

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.5...v0.4.6

- Python
Published by superstar54 about 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.4.5

What's Changed

  • Create subsection "Nested workflow" in the docs by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/277
  • GUI: add task control for int, float, string and structure by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/295

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.4...v0.4.5

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.4.4

What's Changed

  • Set the default value of the namespace socket to None by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/341

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.3...v0.4.4

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.4.3

What's Changed

  • Use groupinputs and groupoutputs when creating Task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/335

Fixes

  • Add _wait Socket for Context Transitions and Fix Allowed Types for AiiDA Property by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/339

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.2...v0.4.3

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.4.2

What's Changed

  • Set the default value to an empty dictionary for namespace socket by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/317
  • Allow passing [] and {} as argument. by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/328
  • Update task's outputs if the corresponding node is finished ok by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/330
  • add padding for scope by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/331
  • Update parser signature for aiida-shell v0.8, extend ShellJob docs, use prepare_shell_job_inputs by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/326

Docs

  • Add aggregate notebook that explains how to aggregate dynamically sized outputs by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/287

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.1...v0.4.2

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.4.1

What's Changed

  • Update README, and fix/web executor by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/306
  • Fix serialization and desrialization the pythonjob data by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/308
  • only serialize the pythonjob data when launching by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/309
  • Update parent task's state even if the task fails by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/311
  • Add node_value & get_node_value to TaskSocket by @GeigerJ2 in https://github.com/aiidateam/aiida-workgraph/pull/299
  • Error handler can use the label of the ExitCode by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/312

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.4.0...v0.4.1

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.4.0

What's Changed

  • Create a short version of the workgraph data for the connectivity analysis by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/291
  • Use type_mapping from aiida-workgraph by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/294
  • Add executor for WorkGraph task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/292
  • Remove property class from node-graph by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/297
  • refactor property by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/298
  • PythonJob spports exit code output by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/300
  • Refactor task's data, bumps node-graph to 0.0.19 by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/304
  • Refactor the error handler by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/302

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.26...v0.4.0

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.26

What's Changed

  • Decorator allow users to define the inputs manually for dynamic input by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/281

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.25...v0.3.26

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.25

What's Changed

Fix

  • Serialize the init context by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/279

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.23...v0.3.25

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.24

Fix

Fix executioncount, and only show newdata if it not empty, https://github.com/aiidateam/aiida-workgraph/pull/273

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.23...v0.3.24

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.23

What's Changed

Fix

  • handle empty zone by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/272

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.22...v0.3.23

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.22

What's Changed

  • Docs: migrate tutorials using sphnix-gallery by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/268

Fix

  • Use PickledFunction.build_executor by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/270

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.21...v0.3.22

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.21

What's Changed

  • Migrate quick_start to sphinx-gallery by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/243

Fix

  • Only check process_class for calcfunction and workfunction by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/258
  • if user already defined the var_args in the inputs, skip it by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/264
  • Handle NodeLinksManager when reading the input value by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/265
  • Pickle the input value if it is a function by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/262

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.20...v0.3.21

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.20

What's new

  • Integrating sphinx gallery to run documentation by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/234
  • Monitor task: add timeout for monitor task, and support killing by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/247

Fix

  • Save task state info in the ctx for checkpoint by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/245
  • Create and submit the process using self.submit by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/253

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.19...v0.3.20

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.19

What's Changed

  • Add PickledFunction data by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/229
  • Show timeline of called_process by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/238
  • Move conditional tasks out while zone by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/241
  • Add monitor and awaitable task decorators to create tasks that to poll some state by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/235

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.18...v0.3.19

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.18

What's Changed

  • support nested while task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/219
  • Add If task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/222
  • Add Zone task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/224
  • Add option to set path for python executable for tests by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/226
  • Add rudimentary frontend tests for all functionalities by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/221
  • Add TaskCollection for waiting_on and children. by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/223
  • Add _ for variables inside workgraph engine by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/227
  • Add select, from_context and to_context tasks by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/228
  • Adding a prompt to confirm the deletion of a node by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/193

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.17...v0.3.18

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.17

What's Changed

  • Use uvicorn web server for frontend tests by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/202
  • Fix: avoid empty module set when inspecting the type annotations by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/220

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.16...v0.3.17

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.16

What's Changed

  • Set the node's label as the workgraph/task's name. by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/213
  • Fix task selection inside while zone by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/215
  • Update any remaining instances of Worktree to WorkGraph. by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/216

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.15...v0.3.16

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.15

What's Changed

  • Fix: handle exception when inspecting the function by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/196
  • Cleaning unused html files that cause problems for case-insensitive filesystems by @khsrali in https://github.com/aiidateam/aiida-workgraph/pull/201
  • Add built-in While task by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/198
  • Speed up unit test and skip unstable test by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/205
  • Allow nonfunctional usage of decorators by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/199
  • Register entry point for each class (Task, Socket, Property) by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/209
  • PythonJob use task name as process label by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/210
  • PythonJob: stores the input data file before passing to the local_copy_list by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/211

New Contributors

  • @khsrali made their first contribution in https://github.com/aiidateam/aiida-workgraph/pull/201

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.14...v0.3.15

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.14

What's Changed

Bug fixs

  • fix loading WorkGraph with PythonJob by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/172
  • use get_processes_latest for workgraph.update by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/174
  • raise message when _widget is None in to_html() by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/187
  • Support Python 3.12 for the entry points by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/188
  • Fix the error when inspecting the typing annotations by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/177
  • Add executed_task to record the tasks that have already been submitted. by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/186

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.13...v0.3.14

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.13

What's Changed

  • update README by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/160
  • simplify the run method for WorkGraph by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/162
  • Make widget feature optional by @agoscinski in https://github.com/aiidateam/aiida-workgraph/pull/165
  • add task.pythonjob decorator by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/170
  • add add_node and add_link by @superstar54 in https://github.com/aiidateam/aiida-workgraph/pull/75

New Contributors

  • @agoscinski made their first contribution in https://github.com/aiidateam/aiida-workgraph/pull/165

Full Changelog: https://github.com/aiidateam/aiida-workgraph/compare/v0.3.12...v0.3.13

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.12

What's Changed

  • Use workgraph to create task by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/156
  • Workchain call workgraph by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/157
  • Refactor test by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/158

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.11...v0.3.12

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.11

What's Changed

  • update docs for group_outputs by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/152
  • rename Socket "General" to "Any" by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/153
  • Web: fix timeline by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/154

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.10...v0.3.11

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.10

What's Changed

  • rename select to serializers by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/147
  • use set_context by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/148
  • New syntax for the graph_builder's output by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/150

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.9...v0.3.10

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.9

What's Changed

  • update AtomsData by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/142
  • speed up loading workgraph in web by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/144

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.8...v0.3.9

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.8

What's Changed

  • PythonJob: update docs and test for retrieving files by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/135
  • PythonJob: support nest namespace output by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/139
  • PythonJob: check duplicate entry points for data serializer by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/140

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.7...v0.3.8

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.7

What's Changed

  • fix graph_builder in GUI by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/134
  • use PythonJob explicitly by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/132

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.6...v0.3.7

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.6

What's Changed

  • support namespace output in PythonJob by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/129

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.5...v0.3.6

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.5

What's Changed

  • Add error handler for WorkGraph by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/124
  • Refactor errorhandler to support maxretries and custom parameters by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/126

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.4...v0.3.5

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.4

What's Changed

  • Refactor the syntax of decorator parameters for inputs, outputs and properties. by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/123

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.3...v0.3.4

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.3

  • Fix building frontend in release workflow

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.2...v0.3.3

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.2

What's Changed

  • Support pausing task by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/111
  • ♻️ Rename ShellTask to ShellJob by @GeigerJ2 in https://github.com/superstar54/aiida-workgraph/pull/121
  • Save task running info (state, process, action) in extras by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/120
  • Fix task title color in GUI by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/122

New Contributors

  • @GeigerJ2 made their first contribution in https://github.com/superstar54/aiida-workgraph/pull/121

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.1...v0.3.2

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.1

What's Changed

  • ShellTask Set the nodes during/after the creation of the task. by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/113
  • PythonTask add create_conda_env by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/112

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.3.0...v0.3.1

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.3.0

What's Changed

  • rename node to task by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/108
  • set child tasks of a failed task to SKIPPED by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/109
  • add build widget and frontend in docs by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/110

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.2.8...v0.3.0

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.2.8

What's Changed

  • Disable user editing the link in GUI by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/101
  • add how to transfer WorkChain to WorkGraph by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/103
  • Support passing output socket to the nodes inputs for ShellJob by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/105

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.2.7...v0.2.8

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.2.7

What's Changed

  • Use the workgraph name as the process label. by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/86
  • Fix data provenance for graph_builder with PythonJob by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/89
  • Support typing hint in PythonJob by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/91
  • PythonJob supports var_kwargs by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/92
  • Refactor engine by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/93

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.2.6...v0.2.7

- Python
Published by superstar54 over 1 year ago

https://github.com/aiidateam/aiida-workgraph - v0.2.6

What's Changed

Automatically serialize the inputs into AiiDA data for PythonJob, #85

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.2.5...v0.2.6

- Python
Published by superstar54 almost 2 years ago

https://github.com/aiidateam/aiida-workgraph - v0.2.5

What's Changed

  • rename WorkGraph engine class to WorkGraphEngine by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/81

  • Add builtin PythonJob to run any Python function on a remote computer by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/83

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.2.4...v0.2.5

- Python
Published by superstar54 almost 2 years ago

https://github.com/aiidateam/aiida-workgraph - v0.2.4

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.2.3...v0.2.4

What's Changed

  • Add codecov by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/73
  • support aiida-core < 2.5 by adding _varargs of calcfunction by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/77
  • add exit code if workgraph failed. by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/78
  • Add basic socket type by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/79

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.2.3...v0.2.4

- Python
Published by superstar54 almost 2 years ago

https://github.com/aiidateam/aiida-workgraph - v0.2.3

What's Changed

  • rename to WorkGraph by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/47
  • rename wt to wg by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/49
  • Update state position by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/54
  • 🔧 pyproject.toml: Fix typo in Source URL by @mbercx in https://github.com/superstar54/aiida-workgraph/pull/66
  • add zerotohero by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/67
  • rename group to graph_builder by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/68
  • rename append to extend by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/70
  • show required sockets (the args) by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/71
  • rename ctx to context by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/72
  • use typing by @superstar54 in https://github.com/superstar54/aiida-workgraph/pull/58

New Contributors

  • @mbercx made their first contribution in https://github.com/superstar54/aiida-workgraph/pull/66

Full Changelog: https://github.com/superstar54/aiida-workgraph/compare/v0.1.8...v0.2.3

- Python
Published by superstar54 almost 2 years ago

https://github.com/aiidateam/aiida-workgraph - v0.1.8

What's Changed

  • Add built-in sockets: _outputs and _wait by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/36
  • Support appending worktree by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/37
  • Support visualizing worktree and node in Jupyer-notebook @superstar54 in https://github.com/superstar54/aiida-worktree/pull/39
  • Improve while condition by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/40
  • create node from worktree by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/41
  • supports the use of both the node name and the node on the wait list. by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/45

Full Changelog: https://github.com/superstar54/aiida-worktree/compare/v0.1.3...v0.1.8

- Python
Published by superstar54 almost 2 years ago

https://github.com/aiidateam/aiida-workgraph - V0.1.3

What's Changed

New

  • add maxnumberjobs by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/22

  • Add data node route by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/23

Bug fixed

  • continue worktree for non awaitable by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/28

Full Changelog: https://github.com/superstar54/aiida-worktree/compare/v0.1.0...v0.1.3

- Python
Published by superstar54 about 2 years ago

https://github.com/aiidateam/aiida-workgraph - V0.1.0

What's Changed

  • Use node graph by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/3
  • Add Web App (FastAPI + React + Rete) by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/17
  • support var_kwargs and for, fix normal function by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/2
  • Fix build node by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/7
  • Resume worktree when an available is finished, add setfromprotocol by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/8
  • Feature/cli by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/11
  • Pass pool to the Collection by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/12
  • Support Save and Restart by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/14
  • Update UI by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/18
  • Use react calendar timeline by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/19
  • fix react route when refresh the page by @superstar54 in https://github.com/superstar54/aiida-worktree/pull/20

- Python
Published by superstar54 about 2 years ago