Source: python-pymbar
Section: science
Priority: optional
Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
Uploaders:
 Andrius Merkys <merkys@debian.org>,
Rules-Requires-Root: no
Build-Depends:
 debhelper-compat (= 13),
 dh-python,
 dh-sequence-python3,
 python3-all,
 python3-numpy,
 python3-pytest <!nocheck>,
 python3-scipy <!nocheck>,
 python3-setuptools,
 python3-six,
Testsuite: autopkgtest-pkg-python
Standards-Version: 4.6.2
Homepage: https://simtk.org/home/pymbar
Vcs-Browser: https://salsa.debian.org/science-team/python-pymbar
Vcs-Git: https://salsa.debian.org/science-team/python-pymbar.git

Package: python3-pymbar
Architecture: all
Depends:
 python3-numpy,
 python3-scipy,
 python3-six,
 ${misc:Depends},
 ${python3:Depends},
Description: Python implementation of the multistate Bennett acceptance ratio (MBAR)
 Pymbar is a library that provides tools for optimally combining simulations
 from multiple thermodynamic states using maximum likelihood methods to compute
 free energies (normalization constants) and expectation values from all of the
 samples simultaneously.
 .
 This package installs the library for Python 3.