openbabel

Summary

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It’s an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

Versions

  • 2.3.2

License

GPL

Meta

about:
  home: http://openbabel.org
  license: GPL
  summary: 'Open Babel is a chemical toolbox designed to speak the many languages
    of chemical data. It''s an open, collaborative project allowing anyone to search,
    convert, analyze, or store data from molecular modeling, chemistry, solid-state
    materials, biochemistry, or related areas.'

build:
  skip: True # [not py27]
  number: 1

package:
  name: openbabel
  version: 2.3.2

requirements:
  build:
  - python
  - gcc
  - cmake
  - eigen
  - libxml2
  - zlib
  - cairo
  run:
  - python
  - libgcc

source:
  fn: openbabel-2.3.2.tar.gz
  sha256: 4eaca26679aa6cc85ebf96af19191472ac63ca442c36b0427b369c3a25705188
  url: http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz

test:
  commands:
  - obabel --help