Source: optking
Section: python
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>
Build-Depends: debhelper (>= 10),
               dh-python,
               pybuild-plugin-pyproject,
               python3-all (>= 3.6),
               python3-numpy,
               python3-setuptools,
               python3-pydantic,
               python3-pytest,
               python3-qcelemental,
Standards-Version: 4.1.3
Homepage: https://github.com/psi-rking/optking
Vcs-Browser: https://salsa.debian.org/debichem-team/optking
Vcs-Git: https://salsa.debian.org/debichem-team/optking.git

Package: python3-optking
Section: python
Architecture: all
Depends: ${python3:Depends},
         ${shlibs:Depends},
         ${misc:Depends},
Description: Molecular geometry optimization program
 OptKing is focused on optimization of molecular geometries: finding minima,
 transition states, and reaction paths.