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aiidateam / qe-tools

A set of useful tools for Quantum ESPRESSO
MIT License
28 stars 13 forks source link

Add GitHub actions CI #57

Closed greschd closed 3 years ago

greschd commented 3 years ago

Fixes #58

Part 1 of moving to GHA (#54): Travis CI still enabled. Will remove that once we switched over. The actions can be viewed at https://github.com/greschd/qe-tools/actions

Using the same setup as for aiida-wannier90: The workflows are defined in .github/workflows_source using YAML anchors, which are expanded into .github/workflows by the script .utils/interpolate_yaml_anchors.py.

Drops support for Python 3.5, adds 3.9 to the CI matrix. As a consequence the prospector run fails, which is why I have replaced it with a plain pylint and made some minor changes to make that pass.

Also added a top-level repos to .pre-commit-config.yaml, because my editor complained about that not matching the schema 🙃

greschd commented 3 years ago

The failing "workflow interpolation" on Python 3.5 can be ignored IMO - that's just because Python 3.5 doesn't accept pathlib object in the open interface.

greschd commented 3 years ago

Note: Since the version of pylint shipped with prospector has troubles with Python 3.9, I'm dropping prospector in favor of plain pylint - this all makes everything a bit more complicated, which is why I think we should merge this after #53.

greschd commented 3 years ago

So this has become a bit of an unwieldy PR - if desired I can separate the "move to GHA" from the "drop Python3.5, add Python3.9" to get more manageable chunks.

Currently these two steps are just separate commits. Note that those probably shouldn't be squashed together when merging.