pmda
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[CI] switch from Travis CI to GitHub actions
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?
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?
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.
@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!
ping @VOD555 please have a look
@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?
It's corresponding to #130
Make a new PR, please — let me know when you have it ready to review. Thanks!