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openkinome / kinoml

Structure-informed machine learning for kinase modeling
https://openkinome.org/kinoml/
MIT License
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Manage testing with tox #11

Closed 4383 closed 4 years ago

4383 commented 4 years ago

Description

Manage testing with tox.

Tox aim to provide a command line driven CI frontend and development task automation tool.

tox is a mainstream project used widely in by python community it could help us to standardize the way we tests and we develop on kinoml.

Also these changes could help us to reduce the cost to contribute to this project by providing mainstream features.

Also these changes could help us to more formalize with which version of python this project is compatible. We could synchronize packaging metadata in setup.py in a second time to inform users about supported versions (and tested versions).

Todos

It could allow us to define several tasks to run which could help us to improve the project quality and stability by introducing specific and reproductible tasks like:

Status

jchodera commented 4 years ago

Thanks so much for suggesting this!

We've elected to standardize on the best practices from the Molecular Sciences Software Institute (MolSSI), which provides the MolSSI Cookiecutter in an attempt to standardize testing practices and GitHub repo organization across the computational chemistry community.

We're in agreement that standardizing good practice across communities can break down barriers for collaboration, but I think we want to make sure that these barriers are as low as possible within the computational molecular sciences community right now.

If you have suggestions for improvements in best practices, perhaps we should start with suggesting improvements within the MolSSI Cookiecutter that should be disseminated more broadly within the community? https://github.com/MolSSI/cookiecutter-cms/issues

4383 commented 4 years ago

Thanks so much for suggesting this!

We've elected to standardize on the best practices from the Molecular Sciences Software Institute (MolSSI), which provides the MolSSI Cookiecutter in an attempt to standardize testing practices and GitHub repo organization across the computational chemistry community.

We're in agreement that standardizing good practice across communities can break down barriers for collaboration, but I think we want to make sure that these barriers are as low as possible within the computational molecular sciences community right now.

If you have suggestions for improvements in best practices, perhaps we should start with suggesting improvements within the MolSSI Cookiecutter that should be disseminated more broadly within the community? https://github.com/MolSSI/cookiecutter-cms/issues

Sure, I'll take a look to your suggested project.

My goal is too help you so if you think that you need help on a specific topic then I'll follow your suggestions.

Thanks for your heads up.