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{bio}[foss/2021a] OpenFold v1.0.0, colossalai v0.1.8, einops v0.4.1, OpenMM 7.5.1 (incl. AlphaFold patch) w/ Python 3.9.5 + CUDA 11.3.1 #15971

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merged 6 commits into from
Aug 26, 2022
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{bio}[foss/2021a] OpenFold v1.0.0, colossalai v0.1.8, einops v0.4.1, OpenMM 7.5.1 (incl. AlphaFold patch) w/ Python 3.9.5 + CUDA 11.3.1 #15971

merged 6 commits into from
Aug 26, 2022

Commits on Aug 5, 2022

  1. adding easyconfigs: colossalai-0.1.8-foss-2021a-CUDA-11.3.1.eb, einop… 

    …s-0.4.1-GCCcore-10.3.0.eb, OpenFold-1.0.0-foss-2021a-CUDA-11.3.1.eb, OpenMM-7.5.1-foss-2021a_AlphaFold.eb and patches: OpenMM-7.5.1_AlphaFold.patch
    @migueldiascosta
    migueldiascosta committed Aug 5, 2022
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  2. remove download_dep_fail

    @migueldiascosta
    migueldiascosta committed Aug 5, 2022
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Commits on Aug 6, 2022

  1. clarify comments and remove redundant sanity check command

    @migueldiascosta
    migueldiascosta committed Aug 6, 2022
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  2. change versionsuffix of the OpenMM easyconfig that includes DeepMind'… 

    …s patch to -DeepMind-patch
    @migueldiascosta
    migueldiascosta committed Aug 6, 2022
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  3. manually remove renamed patch

    @migueldiascosta
    migueldiascosta committed Aug 6, 2022
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Commits on Aug 9, 2022

  1. remove unnecessary separate_build_dir

    @migueldiascosta
    migueldiascosta committed Aug 9, 2022
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