# This file created by conda-build 3.21.4
# meta.yaml template originally from:
# D:\a\1\s\recipe, last modified Wed Jun  9 13:28:45 2021
# ------------------------------------------------

package:
  name: rdkit
  version: 2021.03.3
source:
  fn: Release_2021_03_3.tar.gz
  sha256: e95f07adaee9280df077cb147210ee75e16957d81687ab0836d62ebf1f6f715f
  url: https://github.com/rdkit/rdkit/archive/Release_2021_03_3.tar.gz
build:
  number: '0'
  string: py38hac5d304_0
requirements:
  build:
    - cmake 3.20.3 h39d44d4_0
    - gettext 0.19.8.1 h1a89ca6_1005
    - jom 1.1.3 0
    - libffi 3.3 h0e60522_2
    - libglib 2.68.2 h1e62bf3_2
    - libiconv 1.16 he774522_0
    - pcre 8.44 ha925a31_0
    - pkg-config 0.29.2 h2bf4dc2_1008
    - vc 14.2 hb210afc_4
    - vs2015_runtime 14.28.29325 h5e1d092_4
    - vs2017_win-64 19.16.27038 h2e3bad8_2
    - vswhere 2.8.4 h57928b3_0
    - zlib 1.2.11 h62dcd97_1010
  host:
    - boost 1.74.0 py38h1266d08_3
    - boost-cpp 1.74.0 h5b4e17d_4
    - bzip2 1.0.8 h8ffe710_4
    - ca-certificates 2021.5.30 h5b45459_0
    - cairo 1.16.0 hb19e0ff_1008
    - eigen 3.3.9 h2d74725_1
    - fontconfig 2.13.1 h1989441_1005
    - freetype 2.10.4 h546665d_1
    - gettext 0.19.8.1 h1a89ca6_1005
    - icu 68.1 h0e60522_0
    - intel-openmp 2021.2.0 h57928b3_616
    - jbig 2.1 h8d14728_2003
    - jpeg 9d h8ffe710_0
    - lcms2 2.12 h2a16943_0
    - lerc 2.2.1 h0e60522_0
    - libblas 3.9.0 9_mkl
    - libcblas 3.9.0 9_mkl
    - libdeflate 1.7 h8ffe710_5
    - libffi 3.3 h0e60522_2
    - libglib 2.68.2 h1e62bf3_2
    - libiconv 1.16 he774522_0
    - liblapack 3.9.0 9_mkl
    - libpng 1.6.37 h1d00b33_2
    - libtiff 4.3.0 h0c97f57_1
    - libxml2 2.9.12 hf5bbc77_0
    - lz4-c 1.9.3 h8ffe710_0
    - mkl 2021.2.0 hb70f87d_389
    - numpy 1.17.5 py38h0cc643e_1
    - olefile 0.46 pyh9f0ad1d_1
    - openjpeg 2.4.0 hb211442_1
    - openssl 1.1.1k h8ffe710_0
    - pandas 1.2.4 py38h60cbd38_0
    - pcre 8.44 ha925a31_0
    - pillow 8.2.0 py38h9273828_1
    - pixman 0.40.0 h8ffe710_0
    - python 3.8.10 h7840368_1_cpython
    - python-dateutil 2.8.1 py_0
    - python_abi 3.8 1_cp38
    - pytz 2021.1 pyhd8ed1ab_0
    - six 1.16.0 pyh6c4a22f_0
    - sqlite 3.35.5 h8ffe710_0
    - tbb 2021.2.0 h2d74725_0
    - tk 8.6.10 h8ffe710_1
    - vc 14.2 hb210afc_4
    - vs2015_runtime 14.28.29325 h5e1d092_4
    - xz 5.2.5 h62dcd97_1
    - zlib 1.2.11 h62dcd97_1010
    - zstd 1.5.0 h6255e5f_0
  run:
    - boost >=1.74.0,<1.74.1.0a0
    - cairo >=1.16.0,<1.17.0a0
    - cairo >=1.16.0,<1.17.0a0
    - freetype >=2.10.4,<3.0a0
    - matplotlib-base
    - numpy >=1.17.5,<2.0a0
    - pandas
    - pillow
    - pycairo
    - python >=3.8,<3.9.0a0
    - python_abi 3.8.* *_cp38
    - reportlab
    - sqlalchemy
    - vc >=14.1,<15.0a0
    - vs2015_runtime >=14.16.27012
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:
  dev_url: https://github.com/rdkit/rdkit
  doc_url: http://www.rdkit.org/docs/index.html
  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.
extra:
  copy_test_source_files: true
  final: true
  recipe-maintainers:
    - jaimergp
    - mcs07
    - pstjohn
