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CI: restore PyPI installation#611

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gcroci2 merged 17 commits intodevDeepRank/deeprank2:devfrom remove_conda_depsDeepRank/deeprank2:remove_conda_depsCopy head branch name to clipboardJun 20, 2024

+25-25

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Commits on Jun 17, 2024

• move dssp and msms out of the yml env file

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  c0c77f3

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• move standard deps to project.toml

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  0b09ad7

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• fix markov-clustering dep

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  89fe334

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• add dev0 to markov clustering

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  9581682

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• fix numpy version

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  ee08b3a

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• fix ruff error

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  476fd65

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• add freesasa and biopython to pip deps

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• move libcifpp out of the env file

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• add quotation marks

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• move torch installation to pip

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• set torchvision and torchaudio versions

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  b0f1060

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• move torch back to conda

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  56929ff

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• remove env file

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• remove env yml from action.yml

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Commits on Jun 20, 2024

• move the remaining conda deps to a yml file

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  bd53c1f

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• readd the path to the env file

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  90a6c06

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• add pip installation to the docker file

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