<commit_before>package:
  name: openmoltools-dev
  version: 0.0.0

source:
  path: ../../

build:
  preserve_egg_dir: True
  number: 0

requirements:
  build:
    - python
    - setuptools
    - six
  run:
    - python
    - setuptools
    - pandas
    - six
    - mdtraj
    - lxml
    - pymbar
    - numpy
    - numpydoc
    - scipy
    - openmm
    - ambertools
    - pytables
    - openmmtools
    - packmol
    - rdkit    # optional dependency<commit_msg>Fix recipe<commit_after>package:
  name: openmoltools-dev
  version: 0.0.0

source:
  path: ../../

build:
  preserve_egg_dir: True
  number: 0

requirements:
  build:
    - python
    - setuptools
    - pandas
    - six
    - mdtraj
    - lxml
    - pymbar
    - numpy
    - numpydoc
    - scipy
    - openmm
    - ambertools
    - pytables
    - openmmtools
    - packmol
    - rdkit    # optional dependency
    - openeye-toolkits  # optional dependency
  run:
    - python
    - setuptools
    - pandas
    - six
    - mdtraj
    - lxml
    - pymbar
    - numpy
    - numpydoc
    - scipy
    - openmm
    - ambertools
    - pytables
    - openmmtools
    - packmol
    - rdkit    # optional dependency
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{'dir': 'git-commits-cleaned', 'id': '1983664', 'n_tokens_mistral': 452, 'n_tokens_neox': 425, 'n_words': 90}