-
Notifications
You must be signed in to change notification settings - Fork 226
Doc: Add StashCalculation
explanation to RTD
#6861
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Conversation
.. code-block:: python | ||
|
||
from aiida.common.datastructures import StashMode | ||
from aiida.orm import load_node |
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
from aiida.orm import load_node | |
from aiida.orm import load_node, load_computer |
|
||
inputs = { | ||
'metadata': { | ||
'computer': Computer.collection.get(label="localhost"), |
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
'computer': Computer.collection.get(label="localhost"), | |
'computer': load_computer(label="localhost"), |
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
Isn't load_computer
much simples than Computer.collection.get
?
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
Both do the same job. Do you mean from user friendliness point of view?
Then yes maybe
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
Can we make computer optional in the
StashCalculation
? So by default the computer of the calcjob is used. Then in the docs we do not even mention it. Or we mention it in a separate section. I am not sure how the validation process kicks before one can change the metadata in the Calcjob.
https://github.com/aiidateam/aiida-core/pull/6861/files#r2081325332
I don't mean to make it in this PR optional, but if it is possible I would do it in another PR before merging this one
EDIT: discussed with @khsrali --> created issue for this #6871
EDIT#2: discussed with @agoscinski --> closed issue #6871
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #6861 +/- ##
==========================================
+ Coverage 78.59% 78.61% +0.02%
==========================================
Files 564 564
Lines 43128 43128
==========================================
+ Hits 33891 33899 +8
+ Misses 9237 9229 -8 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
|
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
Please reply to this https://github.com/aiidateam/aiida-core/pull/6861/files#r2081308084 then we can merge
NOTE:
|
bf168ba
to
20efa61
Compare
@khsrali can you squash merge. Not sure if you want specific commit message. EDIT: Sorry I want to finish up for release so I squashed. I hope message is fine |
20efa61
to
fb6746e
Compare
StashCalculation
StashCalculation
explanation to RTD
Following #6839