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Implement optimade widget in Qeapp #632
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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 +/- ##
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- Coverage 75.79% 75.78% -0.01%
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Files 60 60
Lines 4300 4299 -1
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- 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. |
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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>
@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 2022.9.19 fresh container$ pip list | grep optimade
ipyoptimade 0.1.1
optimade 0.25.5
optimade-client 2022.9.19 I reinstalled the |
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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. |
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