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Becksteinlab / propkatraj Public

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Added compatibility with MDAnalysis 2.4#36

Merged

IAlibay merged 28 commits intodevBecksteinlab/propkatraj:devfrom mda2.4Becksteinlab/propkatraj:mda2.4Copy head branch name to clipboard

Feb 3, 2023

+1,196-1,073

Conversation Commits28 (28)Checks Files changed

Commits

Commits on Jan 27, 2023

Added compatibility with MDAnalysis 2.4
ianmkenney
committed
Added GitHub actions workflow
ianmkenney
committed
updated dev environment requiremnets
ianmkenney
committed
pytest -n from a plugin?
ianmkenney
committed
Missing pkatraj variable in revised test
ianmkenney
committed
Including pylintrc from MDAKit cookiecutter
ianmkenney
committed
Python 2 style super call confuses pylint?
ianmkenney
committed

Commits on Jan 31, 2023

Added GitHub CI badge for master
ianmkenney
committed
Removed find_packages import, added py3.8+ requirement, removed six install requirement
ianmkenney
committed
Added py311 to tested versions
ianmkenney
committed
MDA>=2.0.0 needed, remove six
ianmkenney
committed
Remove support for selection by index/list
ianmkenney
committed
test_single_frame_regression parameters changed
ianmkenney
committed
Pylint probably failing because MDA not installed
ianmkenney
committed
Fix required python and MDA versions
ianmkenney
committed

Commits on Feb 1, 2023

Removed __future__ imports
ianmkenney
committed

Commits on Feb 2, 2023

Formatting for gh-ci.yaml
ianmkenney
committed
Moved all results from PropkaTraj to results container
ianmkenney
committed
Improved selection handling of test_single_frame_regression
ianmkenney
committed
Set license to GPLv2+
ianmkenney
committed
Simplified test_single_frame_regression
ianmkenney
committed

Commits on Feb 3, 2023

Updated documentation to reflect the use of the results container
ianmkenney
committed
Example notebook should use container
ianmkenney
committed
documentation updates
orbeckst
authored
fixed my doc changes
orbeckst
authored
more docs update
orbeckst
authored
docfix
orbeckst
authored
Formatting and license fix
ianmkenney
committed

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