<commit_before>package:
  name: yank
  version: "0.15.2"

source:
    git_url: https://github.com/choderalab/yank.git
    git_tag: "0.15.2"

build:
  number: 0
  skip: True  # [win]

requirements:
  build:
    - python
    - cython
    - numpy
    - scipy
    - setuptools
    - netcdf4
    - hdf4 >=4.2.12 # Remove this line when netcdf4 moves up to at least this version
    - openmm >=7.0.1
    - mdtraj >=1.7.2
    - openmmtools
    - pymbar
    - ambermini >=16.16.0
    - docopt
    - openmoltools
    - sphinxcontrib-bibtex
    - alchemy
    - schema >=0.6.2
    #- gcc 4.8.2 # [linux]
    #- gcc 4.8.2 # [osx]

  run:
    - python
    - pandas
    - numpy
    - scipy
    - cython
    - netcdf4
    - hdf4 >=4.2.12 # Remove this line when netcdf4 moves up to at least this version
    - openmm >=7.0.1
    - mdtraj >=1.7.2
    - openmmtools
    - pymbar
    - ambermini >=16.16.0
    - docopt
    - openmoltools
    - mpi4py # [not win]
    - pyyaml
    - clusterutils
    - sphinxcontrib-bibtex
    - alchemy
    - schema >=0.6.2
    #- libgcc

test:
  requires:
    - nose
    - nose-timer
  imports:
    - yank
  commands:
    - yank --help

about:
  home: https://github.com/choderalab/yank
  license: MIT License
<commit_msg>Bump Yank 0.16.0<commit_after>package:
  name: yank
  version: "0.16.0"

source:
    git_url: https://github.com/choderalab/yank.git
    git_tag: "0.16.0"

build:
  number: 0
  skip: True  # [win]

requirements:
  build:
    - python
    - cython
    - numpy
    - scipy
    - setuptools
    - netcdf4
    - openmm >=7.1
    - mdtraj >=1.7.2
    - openmmtools >=0.10.0
    - pymbar
    - ambermini >=16.16.0
    - docopt
    - openmoltools
    - sphinxcontrib-bibtex
    - schema >=0.6.2
    #- gcc 4.8.2 # [linux]
    #- gcc 4.8.2 # [osx]

  run:
    - python
    - pandas
    - numpy
    - scipy
    - cython
    - netcdf4
    - openmm >=7.1
    - mdtraj >=1.7.2
    - openmmtools >=0.10.0
    - pymbar
    - ambermini >=16.16.0
    - docopt
    - openmoltools
    - mpi4py
    - pyyaml
    - clusterutils
    - sphinxcontrib-bibtex
    - schema >=0.6.2
    #- libgcc

test:
  requires:
    - nose
    - nose-timer
  imports:
    - yank
  commands:
    - yank --help

about:
  home: https://github.com/choderalab/yank
  license: MIT License

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{'dir': 'git-commits-cleaned', 'id': '1947401', 'n_tokens_mistral': 1002, 'n_tokens_neox': 951, 'n_words': 200}