environment.yml

name: /Users/mpds/python/docktprep/venv
channels:
  - defaults
  - conda-forge
  - https://repo.anaconda.com/pkgs/main
  - https://repo.anaconda.com/pkgs/r
dependencies:
  - appnope=0.1.4
  - asttokens=2.4.1
  - biopython=1.84
  - bzip2=1.0.8
  - ca-certificates=2024.9.24
  - colorama=0.4.6
  - comm=0.2.2
  - debugpy=1.8.8
  - decorator=5.1.1
  - exceptiongroup=1.2.2
  - executing=2.1.0
  - expat=2.6.3
  - importlib-metadata=8.5.0
  - iniconfig=1.1.1
  - ipykernel=6.29.5
  - ipython=8.29.0
  - jedi=0.19.2
  - jupyter_client=8.6.3
  - jupyter_core=5.7.2
  - khronos-opencl-icd-loader=2024.05.08
  - krb5=1.21.3
  - libblas=3.9.0
  - libcblas=3.9.0
  - libcxx=19.1.3
  - libedit=3.1.20191231
  - libexpat=2.6.3
  - libffi=3.4.4
  - libgfortran=5.0.0
  - libgfortran5=13.2.0
  - liblapack=3.9.0
  - libopenblas=0.3.28
  - libsodium=1.0.20
  - libsqlite=3.46.0
  - libzlib=1.2.13
  - llvm-openmp=19.1.3
  - matplotlib-inline=0.1.7
  - ncurses=6.4
  - nest-asyncio=1.6.0
  - numpy=1.26.4
  - ocl_icd_wrapper_apple=1.0.0
  - openmm=8.2.0
  - openssl=3.4.0
  - packaging=24.2
  - parso=0.8.4
  - pdbfixer=1.10
  - pexpect=4.9.0
  - pickleshare=0.7.5
  - pip=24.2
  - platformdirs=4.3.6
  - pluggy=1.5.0
  - prompt-toolkit=3.0.48
  - psutil=6.1.0
  - ptyprocess=0.7.0
  - pure_eval=0.2.3
  - pygments=2.18.0
  - pytest=8.3.3
  - python=3.12.2
  - python-dateutil=2.9.0
  - python_abi=3.12
  - pyzmq=26.2.0
  - readline=8.2
  - scipy=1.13.1
  - setuptools=75.1.0
  - six=1.16.0
  - sqlite=3.45.3
  - stack_data=0.6.2
  - tk=8.6.14
  - tomli=2.0.1
  - tornado=6.4.1
  - traitlets=5.14.3
  - typing_extensions=4.12.2
  - tzdata=2024b
  - wcwidth=0.2.13
  - wheel=0.44.0
  - xz=5.4.6
  - zeromq=4.3.5
  - zipp=3.21.0
  - zlib=1.2.13
prefix: /Users/mpds/python/docktprep/venv