<commit_before>{% set name = "e3fp" %}
{% set version = "1.2.1" %}


package:
  name: {{ name|lower }}
  version: {{ version }}

source:
  url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/e3fp-{{ version }}.tar.gz
  sha256: f079b78c6575d812424972d16ba9b824eef0733d839a14585257e38496bc133f

build:
  number: 0
  script: {{ PYTHON }} -m pip install . -vv

requirements:
  build:
    - {{ compiler('c') }}
    - {{ compiler('cxx') }}
  host:
    - cython
    - numpy >=1.14
    - pip
    - python
  run:
    - python
    - {{ pin_compatible('numpy') }}
    - cython >=0.25.2
    - mmh3 >=2.3.1
    - numpy >=1.11.3
    - scipy >=0.18.0
    - rdkit >=2016.03.4
    - sdaxen_python_utilities >=0.1.4
    
test:
  imports:
    - e3fp
    - e3fp.config
  commands:
    - pip check
  requires:
    - pip

about:
  home: https://github.com/keiserlab/e3fp
  summary: Molecular 3D fingerprinting
  license: LGPL-3.0-only
  license_file: LICENSE.txt

extra:
  recipe-maintainers:
    - hadim
<commit_msg>move cython<commit_after>{% set name = "e3fp" %}
{% set version = "1.2.1" %}


package:
  name: {{ name|lower }}
  version: {{ version }}

source:
  url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/e3fp-{{ version }}.tar.gz
  sha256: f079b78c6575d812424972d16ba9b824eef0733d839a14585257e38496bc133f

build:
  number: 0
  script: {{ PYTHON }} -m pip install . -vv

requirements:
  build:
    - {{ compiler('c') }}
    - {{ compiler('cxx') }}
  host:
    - cython
    - numpy >=1.14
    - pip
    - python
    - cython >=0.25.2
  run:
    - python
    - {{ pin_compatible('numpy') }}
    - mmh3 >=2.3.1
    - numpy >=1.11.3
    - scipy >=0.18.0
    - rdkit >=2016.03.4
    - sdaxen_python_utilities >=0.1.4
    
test:
  imports:
    - e3fp
    - e3fp.config
  commands:
    - pip check
  requires:
    - pip

about:
  home: https://github.com/keiserlab/e3fp
  summary: Molecular 3D fingerprinting
  license: LGPL-3.0-only
  license_file: LICENSE.txt

extra:
  recipe-maintainers:
    - hadim

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