package:
  name: openmmforcefields
  version: 0.7.4

source:
  git_url: https://github.com/openmm/openmmforcefields.git
  git_tag: 0.7.4

build:
  preserve_egg_dir: True
  number: 0 # Build number and string do not work together.
  #string: py{{ py }}_a1 # Alpha version 1.
  skip: True # [win or py27 or py35]
  noarch: python

extra:
  #force_upload: True
  upload: main # Upload to anaconda with the "main" label.

requirements:
  build:
    # Base depends
    - python
    - pip

    # Testing
    - pytest
    - pytest-cov
    - codecov

    # Requirements for converted force field installer
    - openmm >=7.4.2

    # Requirements for conversion tools
    - pyyaml
    - ambertools >=18.0 # contains sufficiently recent ParmEd
    - lxml
    - networkx

    # JSON caching of residue templates
    - tinydb

    # openforcefield toolkit and force fields
    - openforcefield >=0.6.0
    - openforcefields >=1.0.0

    # OpenEye toolkits are only used to speed up testing; they are not required for use
    #- openeye-toolkits

  run:
    # Base depends
    - python
    - pip

    # Testing
    - pytest
    - pytest-cov
    - codecov

    # Requirements for converted force field installer
    - openmm >=7.4.1

    # Requirements for conversion tools
    - pyyaml
    - ambertools >=18.0 # contains sufficiently recent ParmEd
    - lxml
    - networkx

    # JSON caching of residue templates
    - tinydb

    # openforcefield toolkit and force fields
    - openforcefield >=0.6.0
    - openforcefields >=1.0.0

    # OpenEye toolkits are only used to speed up testing; they are not required for use
    #- openeye-toolkits

about:
  home: https://github.com/openmmforcefields/openmmforcefields
  license: MIT
  license_file: LICENSE
  description: Support for AMBER and CHARMM force fields and small molecule parameterization with GAFF and the Open Force Field Toolkit for OpenMM.
