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Add MD-SAPT to MDAKits #47

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Add MD-SAPT to MDAKits #47

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Commits on Apr 17, 2023

  1. Create metadata.yaml

    @ALescoulie
    ALescoulie authored Apr 17, 2023
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Commits on Sep 18, 2023

  1. Update metadata.yaml

    @orbeckst
    orbeckst authored Sep 18, 2023
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  2. install mdsapt properly 

    - conda package requires dev label
- install pre-requisites for source installation
    @orbeckst
    orbeckst authored Sep 18, 2023
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  3. get tests from checked out source

    @orbeckst
    orbeckst authored Sep 18, 2023
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Commits on Jun 24, 2024

  1. Merge branch 'MDAnalysis:main' into main

    @ALescoulie
    ALescoulie authored Jun 24, 2024
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  2. add conda-forge install

    @ALescoulie
    ALescoulie committed Jun 24, 2024
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  3. make src-install into a list 

    Co-authored-by: Irfan Alibay <[email protected]>
    @ALescoulie @IAlibay
    ALescoulie and IAlibay authored Jun 24, 2024
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  4. fix test dependencies

    @ALescoulie
    ALescoulie committed Jun 24, 2024
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Commits on Jul 2, 2024

  1. fix comma typo in test deps install

    @ALescoulie
    ALescoulie committed Jul 2, 2024
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  2. Update mdakits/mdsapt/metadata.yaml 

    Co-authored-by: Irfan Alibay <[email protected]>
    @orbeckst @IAlibay
    orbeckst and IAlibay authored Jul 2, 2024
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