setup.yaml

name: openpathsampling
version: 0.9.2

authors:
  - David W.H. Swenson
  - Jan-Hendrik Prinz
  - John D. Chodera
  - Peter Bolhuis

emails:
  - dwhs@hyperblazer.net
  - jan.prinz@choderalab.org,
  - choderaj@mskcc.org
  - p.g.bolhuis@uva.nl

description: 'OpenPathSampling: A python package to do path sampling simulations'

long_description: |
  OpenPathSampling (http://github.com/choderalab/openpathsampling) is a
  python library to do transition interface sampling.

classifiers: |
  Development Status :: 3 - Alpha
  Intended Audience :: Science/Research
  Intended Audience :: Developers
  License :: OSI Approved :: GNU Lesser General
  Public License v2.1 or later (LGPLv2.1+)
  Programming Language :: C
  Programming Language :: Python
  Programming Language :: Python :: 2
  Topic :: Scientific/Engineering :: Bio-Informatics
  Topic :: Scientific/Engineering :: Chemistry
  Operating System :: Microsoft :: Windows
  Operating System :: POSIX
  Operating System :: Unix
  Operating System :: MacOS

download_url: http://github.com/openpathsampling/openpathsampling
url: http://www.openpathsampling.org

package_data:
  openpathsampling:
    - openpathsampling/css/*.css

packages:
  - openpathsampling
  - openpathsampling.storage
  - openpathsampling.storage.stores
  - openpathsampling.tests
  - openpathsampling.analysis
  - openpathsampling.high_level
  - openpathsampling.numerics
  - openpathsampling.netcdfplus
  - openpathsampling.engines
  - openpathsampling.engines.features
  - openpathsampling.engines.openmm
  - openpathsampling.engines.openmm.features
  - openpathsampling.engines.toy
  - openpathsampling.engines.toy.features

platforms:
  - Linux
  - Mac OS X
  - Windows

released: false

requires:
  - python
  - numpy
  - scipy
  - pandas
  - jupyter
  - netcdf4
  - openmm
  - openmmtools
  - mdtraj
  - svgwrite
  - networkx
  - matplotlib
  - ujson

license: LGPL 2.1 or later
license_file: LICENSE