Releases: aiidateam/aiida-workgraph
Releases · aiidateam/aiida-workgraph
v0.7.3
What's Changed
- Bump node-graph to 0.3.16 to handle nested name when appending spec by @superstar54 in #707
- Support loading of a WorkGraph via its uuid by @t-reents in #709
- [Docs] fix format of
Reshaping specifications with select
section by @superstar54 in #711 - Bump node-graph to 0.4.0 by @superstar54 in #712
Full Changelog: v0.7.2...v0.7.3
v0.7.2
What's Changed
- DevOps: AiiDA core tech stack in CI by @GeigerJ2 in #682
- [Docs] Update tutorial by @superstar54 in #679
- Add
type_promotions
for link check by @superstar54 in #685 - Use short aliases for SocketSpecSelect and SocketSpecMeta by @superstar54 in #686
- Enable ruff and ruff-format pre-commit hooks and apply by @GeigerJ2 in #688
- Support async process by @superstar54 in #689
- Fix the github link in docs conf.py by @superstar54 in #690
- [Docs] Add
Limiting maximum running jobs in a WorkGraph
by @superstar54 in #691 - Clean cli by @superstar54 in #692
- Remove flow instruction by @superstar54 in #694
- Clean code and improve test coverage by @superstar54 in #693
- Fix
.git-blame-ignore-rev
by @GeigerJ2 in #695 - Use
call_link_label
to set task name by @superstar54 in #698 - Bump pythonjob to 0.4.4 by @superstar54 in #699
- Fix loading process outputs by @superstar54 in #701
- Update task and link names when using
call_link_label
by @superstar54 in #703 - Use spec-centric design by @superstar54 in #704
- Map zone adds
gather
method by @superstar54 in #638 - Update to use Pydantic model for inputs/outputs specification by @superstar54 in #705
Full Changelog: v0.7.1...v0.7.2
v1.0.0b3
What's Changed
- Fix loading process outputs by @superstar54 in #701
- Update task and link names when using
call_link_label
by @superstar54 in #703 - Use spec-centric design by @superstar54 in #704
- Map zone adds
gather
method by @superstar54 in #638
Full Changelog: v1.0.0b2...v1.0.0b3
v1.0.0b2
What's Changed
- DevOps: AiiDA core tech stack in CI by @GeigerJ2 in #682
- [Docs] Update tutorial by @superstar54 in #679
- Add
type_promotions
for link check by @superstar54 in #685 - Use short aliases for SocketSpecSelect and SocketSpecMeta by @superstar54 in #686
- Enable ruff and ruff-format pre-commit hooks and apply by @GeigerJ2 in #688
- Support async process by @superstar54 in #689
- Fix the github link in docs conf.py by @superstar54 in #690
- [Docs] Add
Limiting maximum running jobs in a WorkGraph
by @superstar54 in #691 - Clean cli by @superstar54 in #692
- Remove flow instruction by @superstar54 in #694
- Clean code and improve test coverage by @superstar54 in #693
- Fix
.git-blame-ignore-rev
by @GeigerJ2 in #695 - Use
call_link_label
to set task name by @superstar54 in #698 - Bump pythonjob to 0.4.4 by @superstar54 in #699
Full Changelog: v0.7.1...v1.0.0b2
v0.7.1
v1.0.0b1
Full Changelog: v0.7.0...v1.0.0b1
v0.7.0
What's Changed
- Add basic tests for cli by @superstar54 in #610
- Move node-graph programming to new advanced topic section by @edan-bainglass in #611
- Fix top level outputs link by @superstar54 in #613
- Fix graph-level sockets by @superstar54 in #616
- Consolidate context-manager-specific features under new context manager advanced topic by @edan-bainglass in #619
- Switch a few sections already to decorator-paradigm by @edan-bainglass in #622
- Add built-in monitor tasks via decotrated functions by @edan-bainglass in #623
- [Docs] Refactor Tutorials by @superstar54 in #609
- Use
TaggedValue
to track the graph inputs by @superstar54 in #627 - Use spec by @superstar54 in #630
- Update PythonJob using new spec API by @superstar54 in #632
- Improve graph level inputs/outputs api using
spec
by @superstar54 in #635 - Load
wg
when restart by @superstar54 in #633 - Add AiiDA node for
datetime.datetime
by @superstar54 in #634 - Fix Graph task return namespace as outputs by @superstar54 in #641
- Replace factory with TaskSpec by @superstar54 in #645
- Socket supports
NoneData
for None by @superstar54 in #649 - Bump aiida-pythonjob to 0.3.5 by @superstar54 in #651
- Decorator accept
use_pickle
argument by @superstar54 in #653 - Add
collection.group
to the public API by @edan-bainglass in #658 - Format the name of outputs for shelljob by @superstar54 in #662
- [Docs] Update how-to sections w.r.t recent developments by @edan-bainglass in #661
- Changes to installation by @GeigerJ2 in #655
- Organize engine process inputs by @superstar54 in #660
- Add
run
andsubmit
to the TaskHandler by @superstar54 in #663 - Check calling a task from inside another task by @superstar54 in #652
- Remove PickleData by @superstar54 in #665
- Use safe and runtime executor by @superstar54 in #666
- Update zone tests by @superstar54 in #667
- Refactor to use minimal db by @superstar54 in #668
- Apply decorator build by @superstar54 in #669
- Update README and development doc by @superstar54 in #671
- Add Warning note for experimental features by @superstar54 in #672
- Use
is_metadata
for AiiDA process by @superstar54 in #674 - Add
max_depth
to graph task by @superstar54 in #673 - Fix shelljob inputs by @superstar54 in #676
Full Changelog: v0.6.0...v0.7.0
v0.6.0
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
v0.5.3
What's Changed
- Heper function to submit WorkChain to scheduler by @superstar54 in #461
- Fix stale process in scheduler: by @superstar54 in #462
- Check if node exist before adding to the waiting list by @superstar54 in #464
- Improve scheduler performance by @superstar54 in #465
- Repair stuck processes in scheduler by @superstar54 in #466
- Add set-max-workflows cli by @superstar54 in #467
- Use link label to build the task name by @superstar54 in #468
- Fix pk in
continue_process
by @superstar54 in #469 - Add meta tasks for
group_inputs
,group_outputs
andctx
by @superstar54 in #470 - Fix failed docs build by @superstar54 in #471
- Add unsafe load option by @superstar54 in #476
Full Changelog: v0.5.2...v0.5.3
v0.5.2
What's Changed
- Adding function for custom type mapping by @ayushjariyal in #457
- Add Scheduler by @superstar54 in #459
- Fix
max-calcjobs
in scheduler by @superstar54 in #460
New Contributors
- @ayushjariyal made their first contribution in #457
Full Changelog: v0.5.1...v0.5.2