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Changes needed to support execution via alchemiscale-fah #218

Merged
merged 32 commits into from
Jul 15, 2024
Merged

Changes needed to support execution via alchemiscale-fah #218

merged 32 commits into from
Jul 15, 2024

Commits on Jan 4, 2024

  1. Adjustments to API to accommodate needs in alchemiscale-fah

    @dotsdl
    dotsdl committed Jan 4, 2024
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  2. Merge branch 'main' into alchemiscale-fah

    @dotsdl
    dotsdl committed Jan 4, 2024
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Commits on Jan 5, 2024

  1. Test fixes, compute service settings refactor, and addition of protoc… 

    …ol selection
    @dotsdl
    dotsdl committed Jan 5, 2024
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  2. Black!

    @dotsdl
    dotsdl committed Jan 5, 2024
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Commits on Mar 1, 2024

  1. Merge branch 'main' into alchemiscale-fah

    @dotsdl
    dotsdl authored Mar 1, 2024
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Commits on Mar 2, 2024

  1. Added __init__.py files so alchemiscale_fah can import components

    @dotsdl
    dotsdl committed Mar 2, 2024
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Commits on Mar 7, 2024

  1. Merge branch 'main' into alchemiscale-fah

    @dotsdl
    dotsdl authored Mar 7, 2024
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Commits on Mar 20, 2024

  1. Merge branch 'main' into alchemiscale-fah

    @dotsdl
    dotsdl authored Mar 20, 2024
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Commits on Apr 16, 2024

  1. Add pydantic option arbitrary_types_allowed for comute settings

    @dotsdl
    dotsdl committed Apr 16, 2024
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  2. Add optional Protocols filtering in claiming code

    @dotsdl
    dotsdl committed Apr 16, 2024
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  3. Black!

    @dotsdl
    dotsdl committed Apr 16, 2024
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  4. Merge branch 'main' into alchemiscale-fah

    @dotsdl
    dotsdl authored Apr 16, 2024
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  5. Getting errors from pytest for fixtures being registered as a plugin … 

    …already
    @dotsdl
    dotsdl committed Apr 16, 2024
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Commits on Apr 30, 2024

  1. Fixes to test suite

    @dotsdl
    dotsdl committed Apr 30, 2024
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  2. Fix to statestore for broken tests

    @dotsdl
    dotsdl committed Apr 30, 2024
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  3. Merge branch 'main' into alchemiscale-fah

    @dotsdl
    dotsdl authored Apr 30, 2024
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  4. Attempting to fix broken tests

    @dotsdl
    dotsdl committed Apr 30, 2024
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  5. Believe I've fixed the tests...

    @dotsdl
    dotsdl committed Apr 30, 2024
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  6. Black!

    @dotsdl
    dotsdl committed Apr 30, 2024
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  7. Merge branch 'main' into alchemiscale-fah

    @dotsdl
    dotsdl authored Apr 30, 2024
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Commits on May 30, 2024

  1. Added __init__.py files to make modules more importable

    @dotsdl
    dotsdl committed May 30, 2024
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Commits on May 31, 2024

  1. Small fix to docstrings

    @dotsdl
    dotsdl committed May 31, 2024
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Commits on Jun 13, 2024

  1. Merge branch 'main' into alchemiscale-fah

    @dotsdl
    dotsdl authored Jun 13, 2024
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Commits on Jul 9, 2024

  1. Merge branch 'main' into alchemiscale-fah

    @dotsdl
    dotsdl authored Jul 9, 2024
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Commits on Jul 11, 2024

  1. Specify protocols as Protocol subclasses or str

    @ianmkenney
    ianmkenney committed Jul 11, 2024
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  2. Add new DummyProtocol subclasses 

    * New protocols: DummyProtocolA, DummyProtocolB, DummyProtocolC
* network_tyk2 now uses a variety of protocols for testing purposes
    @ianmkenney
    ianmkenney committed Jul 11, 2024
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  3. Extend testing for claim_taskhub_tasks 

    * Test if Tasks can be claimed by Protocol
* Test if Tasks can be claimed by many Protocols
    @ianmkenney
    ianmkenney committed Jul 11, 2024
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  4. Moved imports out of test method

    @ianmkenney
    ianmkenney committed Jul 11, 2024
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Commits on Jul 15, 2024

  1. Merge pull request #279 from openforcefield/alchemiscale-fah-protocol… 

    …-claim

Test TaskHub Task claiming by Protocol
    @dotsdl
    dotsdl authored Jul 15, 2024
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  2. Update alchemiscale/compute/api.py 

    Co-authored-by: Ian Kenney <[email protected]>
    @dotsdl @ianmkenney
    dotsdl and ianmkenney authored Jul 15, 2024
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  3. Update alchemiscale/compute/api.py 

    Co-authored-by: Ian Kenney <[email protected]>
    @dotsdl @ianmkenney
    dotsdl and ianmkenney authored Jul 15, 2024
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  4. Adjustments from @ianmkenney review

    @dotsdl
    dotsdl committed Jul 15, 2024
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