What's Changed
- Use build_zone logic from node-graph by @superstar54 in #484
- Update graph-level input/output documentation by @edan-bainglass in #494
- Move Scheduler out by @superstar54 in #495
- Move note regarding
add_input
to after running the workgraph by @edan-bainglass in #498 - Do not split ctx in the GUI by @superstar54 in #499
- Rename active zones to
If
,While
, andMap
by @GeigerJ2 in #501 - Improving error message when no workgraph is returned in graph builder by @ayushjariyal in #455
- Serialize the group_inputs and ctx by @superstar54 in #503
- Discard protocol docs by @edan-bainglass in #504
- Rework the how-to about integration aiida-core components into WorkGraph by @agoscinski in #497
- Update map by @superstar54 in #510
- Fix the outputs parameters of the graph_builder decorator by @superstar54 in #506
- Introduce graph builder in concept section in RTD by @superstar54 in #515
- Rework while how-to by @agoscinski in #524
- Consolidate map zone and aggregate into parallel how-to by @agoscinski in #517
- Update continue finished workgraphs how-to section by @edan-bainglass in #513
- Revise RTD HowTos/graph_builder by @GeigerJ2 in #485
- Revise RTD HowTo/context by @GeigerJ2 in #514
- Support submitting WorkGraph builder by @superstar54 in #527
- Always return the task's outputs by @superstar54 in #529
- Add back missing doc sections by @agoscinski in #534
- Update continue-finished-workgraph section by @edan-bainglass in #528
- Implement
WorkGraph.__call__
to allow graph-to-task creation in context managers by @edan-bainglass in #536 - Use the sphinx gallery version of context how-to by @agoscinski in #533
- Docs: HowTo/if updates by @GeigerJ2 in #489
- Add namespace doc by @superstar54 in #520
- Docs: HowTo/zone to autogen py file by @GeigerJ2 in #537
- Remove the zero to hero section by @agoscinski in #549
- Refactor
@task.graph_builder
to@task.graph
by @superstar54 in #554 - Support
lshift
andrshit
operators between Task and Socket by @superstar54 in #553 - Unify
inputs
API by @edan-bainglass in #556 - Fix the outputs of the WorkGraph task by @superstar54 in #558
- Refactor the WorkGraph concepts by @superstar54 in #539
- Update "how to combine workgraphs" section by @edan-bainglass in #507
- Add migration from aiida-core section by @superstar54 in #548
- Rename parallel section to
Run tasks in parallel
by @agoscinski in #550 - Revise how-to about error resistant workflows by @agoscinski in #541
- Fix pickle error for AiiDA process by @superstar54 in #568
- Add default interval and timeout inputs for monitor task by @superstar54 in #569
- Fix serialization failure of the outputs in Widget view by @superstar54 in #570
- Update
node-graph
dependency to0.2.13
by @edan-bainglass in #573 - Add
shelljob
function, and update the docs by @superstar54 in #572 - Set default name for all AiiDA component tasks by @superstar54 in #571
- Update monitoring task how to by @edan-bainglass in #565
- Refactor
awaitable
decorator to a new how-to section by @edan-bainglass in #566 - Merge save and restart into continue a workflow section by @edan-bainglass in #562
- Update graph-level inputs-outputs section by @edan-bainglass in #559
- Merge graph-level tasks to the normal tasks by @superstar54 in #576
- Clean the files left over from the Scheduler by @superstar54 in #578
- Remove
While
WorkGraph in the engine by @superstar54 in #579 - [Docs] add remote_job by @superstar54 in #577
- Convert how-to sections to gallery scripts by @edan-bainglass in #575
- Allow graph-level inputs directly by @edan-bainglass in #580
- Remove usage of aiida-scheduler by @superstar54 in #581
- Remove outdated builtin sections (monitor) by @superstar54 in #585
- Update to
node-graph
v0.2.15
and exposegroup
utility by @edan-bainglass in #586 - Remove references to protocol section by @agoscinski in #542
- Docs: Add HowTo control-flow by @GeigerJ2 in #547
- [Docs] add
Graph
task for While logic by @superstar54 in #587 - Map tuple results to the wg outputs by @superstar54 in #595
- decorator uses dict as socket data by @superstar54 in #592
- Update GUI docs by @superstar54 in #596
- use function name as the name of the WorkGraph generated from the task by @superstar54 in #597
- Replace
get_graph
bybuild_graph
by @superstar54 in #598 - Docs: Interoperate with
aiida-core
components by @edan-bainglass in #600 - [Doc] add
Control task execution order
by @superstar54 in #599 - Fix
required metadata
when constructing ports by @t-reents in #602 - Write workflow using node-graph programming paradigm by @agoscinski in #546
- Support aiida-core 2.7 by @superstar54 in #605
- Fix aiida-core dependency by @superstar54 in #606
- Clean unused doc files by @superstar54 in #607
- Add overview page by @superstar54 in #604
- Update quick start docs by @edan-bainglass in #591
- Bump node-graph to 0.2.19 by @superstar54 in #608
New Contributors
- @edan-bainglass made their first contribution in #494
- @t-reents made their first contribution in #602
Full Changelog: v0.5.3...v0.6.0