Implement optimade widget in Qeapp #632
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
unkcpz
force-pushed
the
fix/use-ipyoptimade
branch
from
d92add6
to
ec92398
Compare
|
blocked by #633, rebase after merge. |
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #632 +/- ##
==========================================
- Coverage 75.79% 75.78% -0.01%
==========================================
Files 60 60
Lines 4300 4299 -1
==========================================
- Hits 3259 3258 -1
Misses 1041 1041
Flags with carried forward coverage won't be shown. Click here to find out more. ☔ View full report in Codecov by Sentry. |
danielhollas
requested changes
Mar 12, 2024
There was a problem hiding this comment.
Thanks @unkcpz, I think reusing the optimade widget from AWB makes sense.
Just one question about the version
Co-authored-by: Daniel Hollas <danekhollas@gmail.com>
danielhollas
approved these changes
Mar 13, 2024
|
@unkcpz @danielhollas I can not install the QE App from after this PR. Using cached notebook-5.7.0-py2.py3-none-any.whl (9.0 MB)
Using cached notebook-5.6.0-py2.py3-none-any.whl (8.9 MB)
Using cached notebook-5.5.0-py2.py3-none-any.whl (8.4 MB)
Using cached notebook-5.4.1-py2.py3-none-any.whl (8.0 MB)
Using cached notebook-5.4.0-py2.py3-none-any.whl (8.0 MB)
Using cached notebook-5.3.1-py2.py3-none-any.whl (8.0 MB)
Using cached notebook-5.3.0-py2.py3-none-any.whl (8.0 MB)
Using cached notebook-5.2.2-py2.py3-none-any.whl (8.0 MB)
Using cached notebook-5.2.1-py2.py3-none-any.whl (8.0 MB)
Using cached notebook-5.2.0-py2.py3-none-any.whl (8.0 MB)
Using cached notebook-5.1.0-py2.py3-none-any.whl (8.0 MB)
Using cached notebook-5.0.0-py2.py3-none-any.whl (6.9 MB)
Using cached notebook-4.4.1-py2.py3-none-any.whl (6.9 MB)
INFO: pip is looking at multiple versions of nest-asyncio to determine which version is compatible with other requirements. This could take a while.
Collecting nest_asyncio~=1.5
Using cached nest_asyncio-1.6.0-py3-none-any.whl (5.2 kB)
Using cached nest_asyncio-1.5.9-py3-none-any.whl (5.3 kB)
INFO: pip is looking at multiple versions of jinja2 to determine which version is compatible with other requirements. This could take a while.
Using cached nest_asyncio-1.5.8-py3-none-any.whl (5.3 kB)
INFO: pip is looking at multiple versions of nbclassic to determine which version is compatible with other requirements. This could take a while.
Using cached nest_asyncio-1.5.7-py3-none-any.whl (5.3 kB)
INFO: This is taking longer than usual. You might need to provide the dependency resolver with stricter constraints to reduce runtime. See https://pip.pypa.io/warnings/backtracking for guidance. If you want to abort this run, press Ctrl + C.
Using cached nest_asyncio-1.5.6-py3-none-any.whl (5.2 kB)
Using cached nest_asyncio-1.5.5-py3-none-any.whl (5.2 kB)
INFO: This is taking longer than usual. You might need to provide the dependency resolver with stricter constraints to reduce runtime. See https://pip.pypa.io/warnings/backtracking for guidance. If you want to abort this run, press Ctrl + C.
Using cached nest_asyncio-1.5.4-py3-none-any.whl (5.1 kB)
INFO: pip is looking at multiple versions of nest-asyncio to determine which version is compatible with other requirements. This could take a while.
Using cached nest_asyncio-1.5.3-py3-none-any.whl (5.1 kB)
Using cached nest_asyncio-1.5.2-py3-none-any.whl (5.1 kB)
Using cached nest_asyncio-1.5.1-py3-none-any.whl (5.0 kB)
Using cached nest_asyncio-1.5.0-py3-none-any.whl (5.0 kB)
INFO: pip is looking at multiple versions of matplotlib to determine which version is compatible with other requirements. This could take a while.
Collecting matplotlib>=3.3.4,~=3.3
Using cached matplotlib-3.8.3-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (11.6 MB)
INFO: This is taking longer than usual. You might need to provide the dependency resolver with stricter constraints to reduce runtime. See https://pip.pypa.io/warnings/backtracking for guidance. If you want to abort this run, press Ctrl + C.And, the test also failed for this commit, could you check? |
|
@superstar54 are you installing inside aiidalab docker image? From the output you sent I don't see any error, just a warning that it takes a long time. Can you provide more info what happened and which commands you've used? |
|
The tests far arm64 failed since the self-hosted machine is not turned on (It is @mbercx's workstation, please check when he is back from holiday maybe). |
|
Thanks for the quick reply! Then, after around 10 mins, the installation is still in progress, which is un-normal. I didn't wait and cancel it. Could you also try? |
|
I've tested locally outside of the docker image with the new uv installer which is much faster than pip, and in the end it did find a resolution. I suspect the issue comes from switching from |
|
@superstar54 I am unable to reproduce this. I ran the following command and it succeeded fairly promptly in a fresh AiiDAlab container. Perhaps there is an issue with previously installed dependencies? Can you verify that it is indeed this commit that introduces the issue? (i.e. installation from previous one succeeds?). Otherwise, please make it run longer and open a new issue with all the pip output. |
|
@superstar54 can you try from a newly created aiidalab-launch instance? I guess the same that it is other dependencies cause the issue, because the docker build test explicitly run the installation and didn't take too much time to resolve the dependencies. |
|
@danielhollas @unkcpz thanks for the feedback. In a fresh docker container, run container with issue$ pip list | grep optimade
ipyoptimade 0.2.0
optimade 1.0.3
optimade-client 2022.9.19fresh container$ pip list | grep optimade
ipyoptimade 0.1.1
optimade 0.25.5
optimade-client 2022.9.19I reinstalled the |
|
|
|
Hmm, but switching to pydantic 2 should not cause pip to choke on it. @superstar54 can I still ask to leave the pip running to completion in the problem it container and provide the full output? |
|
I think it never ends, but maybe you can already get some ideas from the outputs |
|
10 mins later, the output updated a little bit @danielhollas I cancel the installation since I still need to work on the container for other stuff. If you need more output, I may run this later. |
Thanks, it would be useful, because at the end you could list the packages that have been installed, which might be valuable. |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
No description provided.