{% set name = "rdkit" %}
{% set version = "2019.03.1" %}
{% set filename = "Release_%s.tar.gz" % version.replace(".", "_") %}

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

source:
  fn:  {{ filename }}
  url: https://github.com/rdkit/rdkit/archive/{{ filename }}
  sha256: 41d0d9b82daaca8662b269096361577537fe098176c7da9cf5301c42d2f2068e
  patches:
    - vs2015.patch  # [win and py>=35]

build:
  number: 0
  skip: true  # [py27]

requirements:
  build:
    - {{ compiler('cxx') }}
    - cmake
    - jom  # [win]
  host:
    - boost
    - cairo
    - eigen
    - freetype
    - python
    - numpy
    - pillow
    - pandas
  run:
    - boost
    - cairo
    - python
    - pillow
    - pandas
    - {{ pin_compatible('numpy') }}
    - pycairo
    - six

test:
  imports:
    - rdkit
    - rdkit.Avalon
    - rdkit.Chem
    - rdkit.Chem.AllChem
    - rdkit.DataManip
    - rdkit.Dbase
    - rdkit.DistanceGeometry
    - rdkit.ForceField
    - rdkit.Geometry
    - rdkit.ML
    - rdkit.Numerics
    - rdkit.SimDivFilters
    - rdkit.VLib
    - rdkit.VLib.NodeLib

about:
  home: http://rdkit.org
  license: BSD 3-Clause
  license_file: license.txt
  summary: 'RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.'
  doc_url: http://www.rdkit.org/docs/index.html
  dev_url: https://github.com/rdkit/rdkit

extra:
  recipe-maintainers:
    - pstjohn
    - mcs07
