name: dnabind3
channels:
  - conda-forge
  - defaults

dependencies:
  - python=3.10
  - pip>=24
  # compiled / heavy libs via conda-forge
  - numpy>=2.0,<3.0
  - scikit-learn>=1.5,<1.7
  - pandas>=2.2,<2.3
  - matplotlib>=3.8,<3.11
  - lxml>=5.2,<6
  - lightning=2.5.1
  - torchmetrics>=1.3
  - dask
  - distributed
  - dask-ml
  # toolchain for JIT/building CUDA extensions (mamba-ssm, Triton kernels)
  - cuda-toolkit=12.4
  - cmake
  - ninja

  - pip:
      # Force CUDA wheels and keep them from being overwritten by CPU builds
      - --index-url=https://download.pytorch.org/whl/cu124
      - torch==2.6.0+cu124

      # HF stack + hard deps used at runtime
      - transformers==4.53.0
      - tokenizers>=0.21,<0.22
      - safetensors>=0.4.3
      - huggingface-hub==0.34.4
      - regex

      # Your libs
      - rootutils==1.0.7
      - hydra-core==1.3.2
      - hydra-colorlog==1.2.0
      - omegaconf==2.3.0
      - pymex==0.9.31
      - gitpython==3.1.44
      - black==25.1.0
      - tqdm==4.67.1
      - biopython==1.85
      - ortools==9.14.6206
      - fair-esm==2.0.0
      - rich==14.1.0
      - wandb==0.21.1

      # Mamba + Triton (for CUDA kernels)
      - mamba-ssm==2.2.4
      - triton>=3.0,<3.5

      # your package
      - -e .