loongson/pypi/: openbabel-3.1.1.1 metadata and description

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Python interface to the Open Babel chemistry library

author Noel O'Boyle
author_email openbabel-discuss@lists.sourceforge.net
classifiers
  • Development Status :: 5 - Production/Stable
  • Environment :: Console
  • Environment :: Other Environment
  • Intended Audience :: Education
  • Intended Audience :: Science/Research
  • License :: OSI Approved :: GNU General Public License (GPL)
  • Natural Language :: English
  • Operating System :: MacOS :: MacOS X
  • Operating System :: Microsoft :: Windows
  • Operating System :: OS Independent
  • Operating System :: POSIX
  • Operating System :: POSIX :: Linux
  • Operating System :: Unix
  • Programming Language :: C++
  • Programming Language :: Python
  • Topic :: Scientific/Engineering :: Bio-Informatics
  • Topic :: Scientific/Engineering :: Chemistry
  • Topic :: Software Development :: Libraries
license GPL-2.0

Because this project isn't in the mirror_whitelist, no releases from root/pypi are included.

File Tox results History
openbabel-3.1.1.1-cp38-cp38-linux_loongarch64.whl
Size
750 KB
Type
Python Wheel
Python
3.8

This is a Python interface to the Open Babel chemistry library. For the main Open Babel project, see http://openbabel.org.

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. For installation instructions, tutorials and examples, please visit the Open Babel website.

This package provides two Python modules that can be used to access the functionality of the Open Babel toolkit:

For detailed installation instructions, API documentation and further information on the Python bindings, see the Python pages on the Open Babel website.

Dependencies

  • Python 2.4 or a more recent version.
  • Open Babel 3 or a more recent version.

Installation

Option 1: Use pip.

pip install openbabel

Option 2: Download the latest release and install yourself.

tar -xzvf openbabel-3-1-0.tar.gz
cd openbabel-openbabel-3-1-0
python setup.py install

Option 3: While building Open Babel itself.

cd openbabel
mkdir ob-build
cd ob-build
cmake -DRUN_SWIG=ON -DPYTHON_BINDINGS=ON ..
make install