Conda recipe folder

$PYTHON setup.py install

package:

  name: {{ environ.get('package_name', 'deepchem') }}

  version: "1.2.0"

source:

    git_url: https://github.com/deepchem/deepchem.git

    git_tag: 1.2.0

build:

  number: 0

  skip: True  # [osx or win]

requirements:

  build:

    - python {{ environ.get('python_version', '3.5') }}

    - setuptools

    - pbr

    - numpy

  run:

    - python {{ environ.get('python_version', '3.5') }}

    - pdbfixer ==1.4

    - rdkit ==2017.03.1

    - mdtraj

    - joblib

    - scikit-learn ==0.18.1

    - keras ==1.2.2

    - networkx ==1.11

    - xgboost ==0.6a2

    - pillow ==4.2.1

    - pandas ==0.19.2

    - {{ environ.get('tensorflow_enabled','tensorflow') }} ==1.2.1

    - nose

    - nose-timer

    - flaky ==3.3.0

test:

  imports:

    - deepchem

about:

  home: https://github.com/deepchem/deepchem

  license: MIT

  summary: 'Deep-learning models for Drug Discovery and Quantum Chemistry '