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[CI] switch from Travis CI to GitHub actions

Open orbeckst opened this issue 3 years ago • 7 comments

Fixes #146

Changes made in this Pull Request:

  • removed travis.yml and ci/deploy_docs.sh (not needed anymore)
  • add GH actions test and doc deployment
  • test MDAnalysis >= 1.1.1, <2 (noted in CHANGELOG)

PR Checklist

  • n/a Tests?
  • n/a Docs?
  • [x] CHANGELOG updated?
  • [x] Issue raised/referenced?

orbeckst avatar Oct 10 '21 09:10 orbeckst

Various issues

  • missing mdanalysistests >= 1.1.1 for some Python versions — not sure why because the packages seems to exist in https://anaconda.org/conda-forge/mdanalysistests/files
  • one RDF test is failing — maybe @VOD555 has any ideas?

orbeckst avatar Oct 10 '21 10:10 orbeckst

We don't provide conda packages for Python 2.7 for 1.1.1. So we can either try to install the pip package for the 2.7 tests or drop 2.7 very quickly... I think it's going to be the latter.

orbeckst avatar Oct 21 '21 21:10 orbeckst

@VOD555 can you please figure out why one RDF test is failing

pmda/test/test_rdf_s.py::test_density[False] FAILED                      [ 22%]

This needs to be fixed/figured out so that this PR can progress. Thank you!

orbeckst avatar Oct 29 '21 00:10 orbeckst

ping @VOD555 please have a look

orbeckst avatar Nov 10 '21 19:11 orbeckst

@orbeckst I found the density option of InterRDF_s in current MDAnalysis and pmda are different, in which density=False in MDA means density=True in pmda. It's necessary to make pmda the same as MDA. Do we need to do this change in this PR or in a new one?

VOD555 avatar Nov 11 '21 04:11 VOD555

It's corresponding to #130

VOD555 avatar Nov 11 '21 04:11 VOD555

Make a new PR, please — let me know when you have it ready to review. Thanks!

orbeckst avatar Nov 11 '21 10:11 orbeckst