name: dnabind
channels:
  - conda-forge
  - bioconda
dependencies:
  - python=3.10
  - pip>=23
  # dask "complete" equivalent via conda packages
  - dask
  - distributed
  - rich=13.*
  # ghostscript 9.18 is very old; keep only if you truly need that exact version.
  # If not, drop the pin or use the conda-forge version (>=10).
  - ghostscript
  - lxml=5.3.0
  - pandas=2.2.3
  - gitpython=3.1.*
  - tqdm=4.67.*
  - matplotlib=3.10.*
  - pip:
      # Pull GPU wheels (CUDA 12.8) from PyTorch's cu128 index; fall back to PyPI for others
      - --index-url https://download.pytorch.org/whl/cu129
      - --extra-index-url https://pypi.org/simple

      # PyTorch + CUDA 12.9
      - torch==2.8
      - torchvision==0.23
      # - torchaudio==2.7.1   # optional, if you need it

      # Lightning (classic)
      - pytorch-lightning

      # Your pinned Python libs
      - rootutils==1.0.7
      - polars==1.32.2
      - hydra-core==1.3.2
      - hydra-colorlog==1.2.0
      - omegaconf==2.3.0
      - pymex==0.9.31
      - transformers==4.51.2
      - scikit-learn==1.7.1
      - biopython==1.85
      - ortools==9.14.6206
      - esm==3.2.1.post1
      # Your package in editable mode
      - -e .