DOC: add section on how to write plugin #463

superstar54 · 2023-09-08T13:53:53Z

This PR adds the doc for the plugin.

Add a development section:
- architecture page
- plugin page

codecov · 2023-09-08T13:54:08Z

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (7224f00) 79.07% compared to head (546e0d0) 79.07%.

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@@           Coverage Diff           @@
##             main     #463   +/-   ##
=======================================
  Coverage   79.07%   79.07%           
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  Files          47       47           
  Lines        3211     3211           
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  Hits         2539     2539           
  Misses        672      672

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python-3.10	`79.07% <ø> (ø)`
python-3.8	`79.11% <ø> (ø)`
python-3.9	`79.11% <ø> (ø)`

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unkcpz · 2023-10-09T07:22:17Z

docs/source/development/plugin.rst

+    workchain_and_builder = {
+        "workchain": HelloWorldWorkChain,
+        "get_builder": get_builder,
+        }


This is quite an essential specification of the workchain definition. If I understand correctly, the key name and the value type can not be changed. So I would recommend to add a validator to the function who use this value and raise proper exception if the user passes an invalid dictionary.

Yes, I opened issue #503 for this.

unkcpz

Thanks @superstar54. Here is first go, I add some comments. I think there are more need to change can you first try to add a line break to every sentence so it is easy to review?

docs/source/_static/images/plugin_example.png

unkcpz · 2023-10-10T11:49:42Z

docs/source/_static/images/plugin_outline.png

Can you make the description of the plugin the line "A aiidalab-qe plugin to print hello world" indent properly. I know it is the description, but seems like an isolated line. Maybe put a border on the widget?

I removed this description line from the plugin.

unkcpz · 2023-10-10T11:52:58Z

docs/source/development/architecture.rst

+Wizards UI
+==========
+
+Quantum ESPRESSO app (QeApp) uses the Wizards UI, which divides one calculation into four steps. Each step may contain several sections (panels), as shown below.


Suggested change

Quantum ESPRESSO app (QeApp) uses the Wizards UI, which divides one calculation into four steps. Each step may contain several sections (panels), as shown below.

Quantum ESPRESSO app uses the `WizardAppWidget` to divide one calculation into four steps.

Each step can contain several sections (panels), as shown below.

I prefer to use the Wizards UI instead of the class name WizardAppWidget. Here we give the overview of the architecture instead of detailed code.

docs/source/development/architecture.rst

docs/source/development/plugin.rst

unkcpz

Thanks @superstar54, the reading experience is smooth. I have quite some nitpick changes please have a look. I'd ask @mikibonacci to have a look as well because he is the real user of this new feature.

Two points require discussion:

Using the name "Hello world" or "Structure Render" for the demo plugin?
Using a gif to show the tabs displayed or two static figures?

I'd just wait for you two to vote and then Xing can start to change, no need to involve more people from the team I guess, better if @AndresOrtegaGuerrero also want to have a look and vote? 😄

unkcpz · 2023-10-22T12:49:30Z

docs/source/_static/images/plugin_example.png

This example is not very clear, in the text it says "when the user selects to run the properties." but here the properties are not shown. Could you include the properties list and maybe using two figures to show the differents before and after selecting a new property?
Only if you agree with my suggestion, I think PS and replot the figures are tedious and may not make things better, I'll pining @mikibonacci for comments to see which way is better.

I will vote for Hello world (if we do not use MultiplyAdd instead) and for the gif, as it will be more dynamic and less tedious.

Sorry for being late, I am pro Hello world since this is more a feature for developers, though i would be more incline to specify something like "Plugin: Custom Property" or "Plugin: Your New Feature" (or property) i think is more related to the idea that each plugin is linked to a new property

docs/source/development/architecture.rst

unkcpz · 2023-10-22T13:25:27Z

docs/source/development/plugin.rst

+    from aiidalab_qe.common.panel import ResultPanel
+
+    class Result(ResultPanel):
+        title = "Hello world"


In my opinion, "hello world" example is used very specifically for programming language, I guess even aiida plugin didn't use a "hello world" example. Here more specific name could be better. Please consider to change it.

should we use the "MultiplyAddWorkChain" from AiiDA tutorial? https://aiida.readthedocs.io/projects/aiida-core/en/latest/intro/tutorial.html . This is just a detail, but maybe we can make the very same example.

docs/source/development/plugin.rst

…into doc_plugin

superstar54 · 2023-11-03T15:57:07Z

Hi @unkcpz @mikibonacci @AndresOrtegaGuerrero , thanks all for reviewing the PR and suggestions.

I replaced the hello_world plugin with a new example plugin: Equation of State (EOS). I think it is a good example because:

it's simple and often used as an example for the first-principles calculation, e.g., in ASE, so many people know.
it's also used as a real-world example in AiiDA.
it uses almost all the parameters from QeApp core, including the advanced settings; thus, it is a good example to tell developers how to use parameters from the GUI.

I also add examples of the latest features:

structure importer and editor
result panel for multiple plugins
add new code

Please give it another review.

unkcpz · 2023-11-03T16:00:40Z

docs/source/_static/images/plugin_result.png

Super cool!

AndresOrtegaGuerrero

Nice work, LGTM!

mikibonacci

Thanks a lot for the work, Xing!

unkcpz

Thanks a lot! Some tiny requests, ready to ship then. @superstar54

docs/source/development/architecture.rst

docs/source/development/plugin.rst

docs/source/development/architecture.rst

unkcpz

Looks all good to me. thanks and nice work! @superstar54

add plugin page

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superstar54 added 4 commits September 8, 2023 14:49

add introduction

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update intro

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udpate index page

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update workchain

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superstar54 marked this pull request as draft September 20, 2023 13:46

superstar54 added 5 commits September 20, 2023 14:17

update doc

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add architecture

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update parameters

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Merge branch 'main' into doc_plugin

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udpate doc

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superstar54 marked this pull request as ready for review September 22, 2023 14:00

superstar54 requested review from edan-bainglass and unkcpz September 22, 2023 14:08

superstar54 added 2 commits October 7, 2023 13:59

add detail parameters

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Merge branch 'main' into doc_plugin

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unkcpz requested changes Oct 9, 2023

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Merge branch 'main' into doc_plugin

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superstar54 requested a review from unkcpz October 10, 2023 07:47

add reset example

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superstar54 added 6 commits October 12, 2023 08:14

break lines

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break lines

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check grammar

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add second and third plugin examples

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Merge branch 'main' into doc_plugin

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format the code

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superstar54 requested a review from unkcpz October 22, 2023 06:54

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superstar54 added 7 commits November 3, 2023 09:55

Merge branch 'main' into doc_plugin

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Merge branch 'main' into doc_plugin

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revise text

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Merge branch 'doc_plugin' of https://github.com/aiidalab/aiidalab-qe …

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…into doc_plugin

replace hello_world by eos

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replace plugin_example image

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fix format

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superstar54 requested review from AndresOrtegaGuerrero, unkcpz and mikibonacci November 3, 2023 15:57

unkcpz reviewed Nov 3, 2023

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Super cool!

AndresOrtegaGuerrero approved these changes Nov 6, 2023

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mikibonacci approved these changes Nov 6, 2023

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unkcpz requested changes Nov 7, 2023

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unkcpz added 2 commits November 7, 2023 15:20

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Update docs/source/development/plugin.rst

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unkcpz approved these changes Nov 8, 2023

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superstar54 merged commit 251e423 into main Nov 8, 2023
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superstar54 deleted the doc_plugin branch November 8, 2023 08:53

unkcpz changed the title ~~add plugin page~~ DOC: add section on how to write plugin Nov 9, 2023

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DOC: add section on how to write plugin #463

DOC: add section on how to write plugin #463

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	Quantum ESPRESSO app (QeApp) uses the Wizards UI, which divides one calculation into four steps. Each step may contain several sections (panels), as shown below.
	Quantum ESPRESSO app uses the `WizardAppWidget` to divide one calculation into four steps.
	Each step can contain several sections (panels), as shown below.

DOC: add section on how to write plugin #463

DOC: add section on how to write plugin #463

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