{% set version = "1.38.0" %}
{% set name = "ChemmineOB" %}
{% set bioc = "3.17" %}

package:
  name: 'bioconductor-{{ name|lower }}'
  version: '{{ version }}'
source:
  url:
    - 'https://bioconductor.org/packages/{{ bioc }}/bioc/src/contrib/{{ name }}_{{ version }}.tar.gz'
    - 'https://bioconductor.org/packages/{{ bioc }}/bioc/src/contrib/Archive/{{ name }}/{{ name }}_{{ version }}.tar.gz'
    - 'https://bioarchive.galaxyproject.org/{{ name }}_{{ version }}.tar.gz'
    - 'https://depot.galaxyproject.org/software/bioconductor-{{ name|lower }}/bioconductor-{{ name|lower }}_{{ version }}_src_all.tar.gz'
  md5: 5d721ca0fa36f8b42fecca0ab4f98910
  patches:
    - patch
build:
  number: 0
  rpaths:
    - lib/R/lib/
    - lib/
# Suggests: ChemmineR, BiocStyle, knitr, knitrBootstrap, BiocManager, rmarkdown,RUnit
# SystemRequirements: OpenBabel (>= 3.0.0) with headers (http://openbabel.org). Eigen3 with headers.
requirements:
  host:
    - 'bioconductor-biocgenerics >=0.46.0,<0.47.0'
    - 'bioconductor-zlibbioc >=1.46.0,<1.47.0'
    - r-base
    - r-bh
    - 'r-rcpp >=0.11.0'
    - libblas
    - liblapack
    - openbabel >=3
    - eigen
  run:
    - 'bioconductor-biocgenerics >=0.46.0,<0.47.0'
    - 'bioconductor-zlibbioc >=1.46.0,<1.47.0'
    - r-base
    - r-bh
    - 'r-rcpp >=0.11.0'
    - openbabel >=3
    - eigen
  build:
    - {{ compiler('c') }}
    - {{ compiler('cxx') }}
    - automake
    - make
test:
  commands:
    - '$R -e "library(''{{ name }}'')"'
about:
  home: 'https://bioconductor.org/packages/{{ bioc }}/bioc/html/{{ name }}.html'
  license: 'file LICENSE'
  summary: 'R interface to a subset of OpenBabel functionalities'
  description: 'ChemmineOB provides an R interface to a subset of cheminformatics functionalities implemented by the OpelBabel C++ project. OpenBabel is an open source cheminformatics toolbox that includes utilities for structure format interconversions, descriptor calculations, compound similarity searching and more. ChemineOB aims to make a subset of these utilities available from within R. For non-developers, ChemineOB is primarily intended to be used from ChemmineR as an add-on package rather than used directly.'
  license_file: LICENSE

