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Remove GSD from optional test dependencies #4707

Merged
merged 12 commits into from
Sep 10, 2024
Merged

Remove GSD from optional test dependencies #4707

merged 12 commits into from
Sep 10, 2024

Commits on Sep 8, 2024

  1. Fixed high dimensional GroupBase indexing.

    @MattTDavies @yuxuanzhuang
    MattTDavies authored and yuxuanzhuang committed Sep 8, 2024
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  2. fixed pep8 issues

    @MattTDavies @yuxuanzhuang
    MattTDavies authored and yuxuanzhuang committed Sep 8, 2024
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  3. Removed sanitisation

    @MattTDavies @yuxuanzhuang
    MattTDavies authored and yuxuanzhuang committed Sep 8, 2024
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  4. Fix MDAnalysis#4687 -- rdkit values in azure CI (MDAnalysis#4688) 

    * Investigate rdkit issue

* Update azure-pipelines.yml

* fix numpy 2.0 import block

* fix imports
    @IAlibay @yuxuanzhuang
    IAlibay authored and yuxuanzhuang committed Sep 8, 2024
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  5. mark analysis.pca.PCA as not parallelizable (MDAnalysis#4684) 

    - fix MDAnalysis#4680
- PCA explicitly marked as not parallelizable (at least not with
  simple split-apply-combine)
- add tests
- update CHANGELOG
    @orbeckst @yuxuanzhuang
    orbeckst authored and yuxuanzhuang committed Sep 8, 2024
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  6. merge to main

    @yuxuanzhuang
    yuxuanzhuang committed Sep 8, 2024
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Commits on Sep 9, 2024

  1. Merge remote-tracking branch 'upstream/develop' into develop

    @yuxuanzhuang
    yuxuanzhuang committed Sep 9, 2024
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  2. disable gsd

    @yuxuanzhuang
    yuxuanzhuang committed Sep 9, 2024
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  3. disable gsd in azure

    @yuxuanzhuang
    yuxuanzhuang committed Sep 9, 2024
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  4. reduce timeout and set logical

    @yuxuanzhuang
    yuxuanzhuang committed Sep 9, 2024
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  5. fix azure

    @yuxuanzhuang
    yuxuanzhuang committed Sep 9, 2024
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  6. restore timeout to 200

    @yuxuanzhuang
    yuxuanzhuang committed Sep 9, 2024
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