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Deprecate PSA and replace with PathSimAnalysis mdakit #4403

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merged 6 commits into from
Jan 9, 2024
Merged

Deprecate PSA and replace with PathSimAnalysis mdakit #4403

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8d0455d
Import psa instead of using local one
IAlibay Dec 29, 2023
4365e88
remove docs
IAlibay Dec 29, 2023
158a56d
Add import warning
IAlibay Dec 29, 2023
fdc9ce1
Remove tests, add warning
IAlibay Dec 29, 2023
80a541d
update changelog
IAlibay Dec 29, 2023
0ab9fdc
fix duecredit for psa
IAlibay Jan 7, 2024
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3 changes: 3 additions & 0 deletions .github/actions/setup-deps/action.yaml
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Expand Up @@ -39,6 +39,8 @@ inputs:
default: 'numpy'
packaging:
default: 'packaging'
pathsimanalysis:
default: 'pathsimanalysis'
pip:
default: 'pip'
pytest:
Expand Down Expand Up @@ -116,6 +118,7 @@ runs:
${{ inputs.mmtf-python }}
${{ inputs.numpy }}
${{ inputs.packaging }}
${{ inputs.pathsimanalysis }}
${{ inputs.pip }}
${{ inputs.pytest }}
${{ inputs.scipy }}
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3 changes: 3 additions & 0 deletions package/CHANGELOG
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Expand Up @@ -26,6 +26,9 @@ Enhancements
Changes

Deprecations
* The MDAnalysis.analysis.psa module has been deprecated in favour of
the PathSimAnalysis MDAKit and will be removed in version 3.0.0
(PR #4403)


12/26/23 IAlibay, ianmkenney, PicoCentauri, pgbarletta, p-j-smith,
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