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Update DeepRVAT environment #151

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Update DeepRVAT environment #151

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@meyerkm meyerkm commented Nov 19, 2024

What

This PR updates the deeprvat_env.yaml and deeprvat_env_no_gpu.yaml provided environment files. Specifically, updating the PyTorch and PyTorch-Lightning packs to 2.x versions.
Due to the PyTorch updates, subsequent updates were required in the PyTorch Lightning Trainer parameters, e.g. specified under pl_trainer in the respective config.yaml ,as well as, in the BaseModel.

This PR also addresses Issue #16 , and both Conda and Mamba can now correctly compile cuda with the provided deeprvat_env.yaml file. Note: It is still recommended by the developers to use Mamba due to speed in solving the environment over Conda, e.g. mamba env create -n deeprvat -f ~/deeprvat_env.yaml

Testing

Create the DeepRVAT environment from the .yaml file with various package managers and run the various DeepRVAT pipelines.

@meyerkm meyerkm linked an issue Nov 19, 2024 that may be closed by this pull request
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Deeprvat environment does not support cuda when created using conda
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