Model Inference: eos4x30 22.05.2024

[GemmaTuron]

Model

3D pharmacophore descriptor - eos4x30

Molecules

O=C1C(C2=CC=C(OCO3)C3=C2)=C(C)OC4=C1C=C(CCC)C(OC(C)C)=C4

[GemmaTuron]

@jmassardo

In this case, the model is fetched from docker but github actions does not seem to like it. Is that due to the model itself (which works locally with Docker) or the installation?

Error message:

Error while fetching server API version: Not supported URL scheme http+docker
If this error message is not helpful, open an issue at:
 - https://github.com/ersilia-os/ersilia
Or feel free to reach out to us at:
 - hello[at]ersilia.io

If you haven't, try to run your command in verbose mode (-v in the CLI)
 - You will find the console log file in: /home/runner/eos/current.log

[jmassardo]

I never could get the docker images to run which is why I thought I had it configured to pull from github.

[GemmaTuron]

hmm I don't understand why it is pulling from docker then, @DhanshreeA you did not do any work on this yet right?

[DhanshreeA]

Umm the action simply runs ersilia -v fetch which by default fetches from Docker. The only time it resorts to fetching through github is when there is no docker image available for the given model, or through the use of a from_github flag.

However, this issue does not seem to be from ersilia (at least not directly), this seems to be an upstream issue from docker_py. I'll investigate/triage this asap because I think it can potentially make ersilia crash during all model fetches, especially within new environments.

[GemmaTuron]

omg seems they created a bug with the latest release, do we maybe pin requests to 2.31? if I understood the thread that seems the issue. Let me know @DhanshreeA if that is the problem

[DhanshreeA]

@GemmaTuron yep that seems to be the issue. Just checked the requests version installed in the environment for this run and et voila!, it is 2.32.2. I'll add a specific dep for requests <= 2.31 and re run this action.

[github-actions[bot]]

Greetings @GemmaTuron!

We have successfully completed your model inference run. You can download your results here

Please note that these results will only be available for 30 days after which they will be removed and this issue closed.

[DhanshreeA]

Okay seems like that fixed it. :)

[jmassardo]

YAY!!! I'm glad it was a simple fix!

[github-actions[bot]]

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