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rinikerlab / PyGromosTools

This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.
https://rinikerlab.github.io/PyGromosTools/
MIT License
16 stars 14 forks source link

CI Warnings #216

Closed MTLehner closed 2 years ago

MTLehner commented 2 years ago

CI Warnings

Problem

Currently many test throw a huge number of Warnings: image Leading to >60000 Warnings. Nobody reads all these warnings. Even though some might be useful information.

Possible solution

We could try to reduce the number of stupid warnings. Many come from the submission system and files not existing in the GitHub CI (for example GROMOS). My suggestion is to rework the test so that no more unimportant Warnings are thrown.

One tool would be too decrease the verbose level and turn of some verbosity completely. An other one would be to make the warnings smart.

Ides?

I'm open for other ideas of how to tackle this problem

MTLehner commented 2 years ago

@SchroederB @pultar any ideas/comments?

MTLehner commented 2 years ago

There seem to many of these errors image

pultar commented 2 years ago

Have we considered using the logging package? There we could have a global state of verbosity. However, I actually don't like turning off warnings - maybe it's better to address them. For example, we could debate having an Azure pipeline that has a local version of gromos installed. That should be compliant with gromos license while at the same time enabling better tests.

https://docs.microsoft.com/en-us/azure/devops/pipelines/get-started/what-is-azure-pipelines?view=azure-devops#:~:text=Azure%20Pipelines%20automatically%20builds%20and,ship%20it%20to%20any%20target.

pultar commented 2 years ago

Or we use service containers for GitHub actions: https://docs.github.com/en/actions/using-containerized-services/about-service-containers