environment.yml

name: psifold
channels:
  - pytorch
  - nvidia
  - defaults
dependencies:
  - _libgcc_mutex=0.1=main
  - _openmp_mutex=4.5=1_gnu
  - attrs=21.2.0=pyhd3eb1b0_0
  - blas=1.0=mkl
  - ca-certificates=2021.7.5=h06a4308_1
  - cached-property=1.5.2=py_0
  - certifi=2021.5.30=py38h06a4308_0
  - cudatoolkit=11.1.74=h6bb024c_0
  - h5py=3.2.1=py38h6c542dc_0
  - hdf5=1.10.6=hb1b8bf9_0
  - iniconfig=1.1.1=pyhd3eb1b0_0
  - intel-openmp=2021.3.0=h06a4308_3350
  - ld_impl_linux-64=2.35.1=h7274673_9
  - libffi=3.3=he6710b0_2
  - libgcc-ng=9.3.0=h5101ec6_17
  - libgfortran-ng=7.5.0=ha8ba4b0_17
  - libgfortran4=7.5.0=ha8ba4b0_17
  - libgomp=9.3.0=h5101ec6_17
  - libstdcxx-ng=9.3.0=hd4cf53a_17
  - libuv=1.40.0=h7b6447c_0
  - mkl=2021.3.0=h06a4308_520
  - mkl-service=2.4.0=py38h7f8727e_0
  - mkl_fft=1.3.0=py38h42c9631_2
  - mkl_random=1.2.2=py38h51133e4_0
  - more-itertools=8.8.0=pyhd3eb1b0_0
  - ncurses=6.2=he6710b0_1
  - ninja=1.10.2=hff7bd54_1
  - numpy=1.20.3=py38hf144106_0
  - numpy-base=1.20.3=py38h74d4b33_0
  - openssl=1.1.1l=h7f8727e_0
  - packaging=21.0=pyhd3eb1b0_0
  - pip=21.0.1=py38h06a4308_0
  - pluggy=0.13.1=py38h06a4308_0
  - py=1.10.0=pyhd3eb1b0_0
  - pyparsing=2.4.7=pyhd3eb1b0_0
  - pytest=6.2.4=py38h06a4308_2
  - python=3.8.11=h12debd9_0_cpython
  - pytorch=1.9.0=py3.8_cuda11.1_cudnn8.0.5_0
  - readline=8.1=h27cfd23_0
  - setuptools=58.0.4=py38h06a4308_0
  - six=1.16.0=pyhd3eb1b0_0
  - sqlite=3.36.0=hc218d9a_0
  - tk=8.6.10=hbc83047_0
  - toml=0.10.2=pyhd3eb1b0_0
  - tqdm=4.62.1=pyhd3eb1b0_1
  - typing_extensions=3.10.0.0=pyhca03da5_0
  - wheel=0.37.0=pyhd3eb1b0_1
  - xz=5.2.5=h7b6447c_0
  - zlib=1.2.11=h7b6447c_3
prefix: /home/joseph/.local/opt/miniconda3/envs/psifold