<commit_before>package:
  name: perses
  version: 0.1.0

source:
  git_url: https://github.com/choderalab/perses.git
  git_tag: 0.1.0

build:
  preserve_egg_dir: True
  number: 0

requirements:
  build:
    - python
    - setuptools
    - numpy
    - scipy
    - numexpr
    - autograd
    - pymbar
    - openmm >=7.2.0
    - parmed
    - openmoltools
    - alchemy >=1.2.3
    - openmmtools
    - numba
    - netcdf4
    - matplotlib
    - seaborn
    - pdbfixer
    - mdtraj
    - parmed # for testing/debugging
    - pdbfixer
    - lxml
    - networkx >=2.0
    - yank

  run:
    - python
    - setuptools
    - numpy
    - scipy
    - numexpr
    - autograd
    - pymbar
    - openmm >=7.2.0
    - parmed
    - openmoltools
    - alchemy >=1.2.3
    - openmmtools
    - numba
    - netcdf4
    - matplotlib
    - seaborn
    - pdbfixer
    - mdtraj
    - parmed # for testing/debugging
    - pdbfixer
    - lxml
    - networkx >=2.0
    - openeye-toolkits
    - dask
    - distributed
    - progressbar2<commit_msg>Don't require openeye toolkits for perses to run<commit_after>package:
  name: perses
  version: 0.1.0

source:
  git_url: https://github.com/choderalab/perses.git
  git_tag: 0.1.0

build:
  preserve_egg_dir: True
  number: 0

requirements:
  build:
    - python
    - setuptools
    - numpy
    - scipy
    - numexpr
    - autograd
    - pymbar
    - openmm >=7.2.0
    - parmed
    - openmoltools
    - alchemy >=1.2.3
    - openmmtools
    - numba
    - netcdf4
    - matplotlib
    - seaborn
    - pdbfixer
    - mdtraj
    - parmed # for testing/debugging
    - pdbfixer
    - lxml
    - networkx >=2.0
    - yank

  run:
    - python
    - setuptools
    - numpy
    - scipy
    - numexpr
    - autograd
    - pymbar
    - openmm >=7.2.0
    - parmed
    - openmoltools
    - alchemy >=1.2.3
    - openmmtools
    - numba
    - netcdf4
    - matplotlib
    - seaborn
    - pdbfixer
    - mdtraj
    - parmed # for testing/debugging
    - pdbfixer
    - lxml
    - networkx >=2.0
    - dask
    - distributed
    - progressbar2
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