environment.yaml

name: jwave
channels:
  - defaults
dependencies:
  - _libgcc_mutex=0.1=main
  - _openmp_mutex=5.1=1_gnu
  - bzip2=1.0.8=h5eee18b_6
  - ca-certificates=2024.9.24=h06a4308_0
  - ld_impl_linux-64=2.40=h12ee557_0
  - libffi=3.4.4=h6a678d5_1
  - libgcc-ng=11.2.0=h1234567_1
  - libgomp=11.2.0=h1234567_1
  - libstdcxx-ng=11.2.0=h1234567_1
  - libuuid=1.41.5=h5eee18b_0
  - ncurses=6.4=h6a678d5_0
  - openssl=3.0.15=h5eee18b_0
  - pip=24.2=py310h06a4308_0
  - python=3.10.15=he870216_1
  - readline=8.2=h5eee18b_0
  - setuptools=75.1.0=py310h06a4308_0
  - sqlite=3.45.3=h5eee18b_0
  - tk=8.6.14=h39e8969_0
  - tzdata=2024b=h04d1e81_0
  - wheel=0.44.0=py310h06a4308_0
  - xz=5.4.6=h5eee18b_1
  - zlib=1.2.13=h5eee18b_1
  - pip:
      - annotated-types==0.7.0
      - anyio==4.6.2.post1
      - click==8.1.7
      - exceptiongroup==1.2.2
      - fastapi==0.115.2
      - filelock==3.16.1
      - fsspec==2024.9.0
      - h11==0.14.0
      - idna==3.10
      - jinja2==3.1.4
      - markupsafe==3.0.1
      - mpmath==1.3.0
      - networkx==3.4.1
      - numpy==2.1.2
      - nvidia-cublas-cu12==12.1.3.1
      - nvidia-cuda-cupti-cu12==12.1.105
      - nvidia-cuda-nvrtc-cu12==12.1.105
      - nvidia-cuda-runtime-cu12==12.1.105
      - nvidia-cudnn-cu12==9.1.0.70
      - nvidia-cufft-cu12==11.0.2.54
      - nvidia-curand-cu12==10.3.2.106
      - nvidia-cusolver-cu12==11.4.5.107
      - nvidia-cusparse-cu12==12.1.0.106
      - nvidia-nccl-cu12==2.20.5
      - nvidia-nvjitlink-cu12==12.6.77
      - nvidia-nvtx-cu12==12.1.105
      - pillow==10.4.0
      - pydantic==2.9.2
      - pydantic-core==2.23.4
      - rdkit==2024.3.5
      - sniffio==1.3.1
      - starlette==0.40.0
      - sympy==1.13.3
      - torch==2.4.1
      - torchaudio==2.4.1
      - torchvision==0.19.1
      - triton==3.0.0
      - typing-extensions==4.12.2
      - uvicorn==0.31.1
prefix: /root/miniconda3/envs/jwave