{% set version = "3.42.2" %}
{% set name = "ChemmineR" %}
{% set bioc = "3.12" %}

package:
  name: 'bioconductor-{{ name|lower }}'
  version: '{{ version }}'
source:
  url:
    - 'https://bioconductor.org/packages/{{ bioc }}/bioc/src/contrib/{{ 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: 9b61d99f62d30f0e846520e841e7a9c5
build:
  number: 0
  rpaths:
    - lib/R/lib/
    - lib/
# Suggests: RSQLite, scatterplot3d, gplots, fmcsR, snow, RPostgreSQL, BiocStyle, knitr, knitcitations, knitrBootstrap, ChemmineDrugs, png,rmarkdown, BiocManager
# SystemRequirements: GNU make
requirements:
  host:
    - 'bioconductor-biocgenerics >=0.36.0,<0.37.0'
    - r-base
    - r-base64enc
    - r-bh
    - r-dbi
    - r-digest
    - r-dt
    - r-ggplot2
    - r-gridextra
    - r-png
    - 'r-rcpp >=0.11.0'
    - r-rcurl
    - r-rjson
    - r-rsvg
    - libblas
    - liblapack
  run:
    - 'bioconductor-biocgenerics >=0.36.0,<0.37.0'
    - r-base
    - r-base64enc
    - r-bh
    - r-dbi
    - r-digest
    - r-dt
    - r-ggplot2
    - r-gridextra
    - r-png
    - 'r-rcpp >=0.11.0'
    - r-rcurl
    - r-rjson
    - r-rsvg
  build:
    - {{ compiler('c') }}
    - {{ compiler('cxx') }}
    - make
test:
  commands:
    - '$R -e "library(''{{ name }}'')"'
about:
  home: 'https://bioconductor.org/packages/{{ bioc }}/bioc/html/{{ name }}.html'
  license: Artistic-2.0
  summary: 'Cheminformatics Toolkit for R'
  description: 'ChemmineR is a cheminformatics package for analyzing drug-like small molecule data in R. Its latest version contains functions for efficient processing of large numbers of molecules, physicochemical/structural property predictions, structural similarity searching, classification and clustering of compound libraries with a wide spectrum of algorithms. In addition, it offers visualization functions for compound clustering results and chemical structures.'
extra:
  identifiers:
    - biotools:chemminer
  parent_recipe:
    name: bioconductor-chemminer
    path: recipes/bioconductor-chemminer
    version: 3.32.1

