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Move wandb, hydra-core, and pooch to optional [benchmark] extras - #10

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Move wandb, hydra-core, and pooch to optional [benchmark] extras#10
samuelstanton wants to merge 1 commit into
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optional-experiment-deps

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The core package now installs with only botorch/numpy/pandas/torch. Experiment-tracking (wandb, hydra-core) and dataset-download (pooch) dependencies move to a new benchmark extras group.

  • Add requirements-benchmark.in and wire it into pyproject.toml
  • Lazily import wandb/omegaconf inside wandb_setup() with an actionable ImportError pointing users to pip install pytorch-holo[benchmark]
  • Add AbstractLookup._retrieve() to centralise pooch download logic and lazily import pooch with the same actionable error
  • Add AbstractLookup._build_lookup() to dedupe the dict/sort boilerplate that was repeated across DHFR, TFBIND8, and TrpB lookups
  • Refactor the three lookup subclasses to use the new helpers, dropping the module-level pooch import so they can be imported without it
  • Extract TFBIND8's FLEXS fallback into _load_flexs_fallback() and ensure a missing-pooch ImportError is re-raised rather than swallowed by the broad fallback handler
  • Update README install instructions

Closes #9

The core package now installs with only botorch/numpy/pandas/torch.
Experiment-tracking (wandb, hydra-core) and dataset-download (pooch)
dependencies move to a new `benchmark` extras group.

- Add requirements-benchmark.in and wire it into pyproject.toml
- Lazily import wandb/omegaconf inside wandb_setup() with an actionable
  ImportError pointing users to `pip install pytorch-holo[benchmark]`
- Add AbstractLookup._retrieve() to centralise pooch download logic and
  lazily import pooch with the same actionable error
- Add AbstractLookup._build_lookup() to dedupe the dict/sort boilerplate
  that was repeated across DHFR, TFBIND8, and TrpB lookups
- Refactor the three lookup subclasses to use the new helpers, dropping
  the module-level pooch import so they can be imported without it
- Extract TFBIND8's FLEXS fallback into _load_flexs_fallback() and ensure
  a missing-pooch ImportError is re-raised rather than swallowed by the
  broad fallback handler
- Update README install instructions

Closes #9
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Move wandb, hydra-core, pooch to optional extras

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