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Source: gau2grid
Section: libs
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>
Build-Depends: debhelper-compat (= 13),
cmake (>= 3.0.2),
dh-python,
python3-dev (>= 3.6),
python3-numpy,
python3-pytest,
python3-setuptools
Standards-Version: 4.6.1
Rules-Requires-Root: no
Homepage: https://github.com/dgasmith/gau2grid/
Testsuite: autopkgtest-pkg-python
Vcs-Browser: https://salsa.debian.org/debichem-team/gau2grid
Vcs-Git: https://salsa.debian.org/debichem-team/gau2grid.git
Package: python3-gau2grid
Architecture: any
Section: python
Depends: ${shlibs:Depends},
${misc:Depends},
${python3:Depends}
Description: Computing gaussians on a grid (Python 3 module)
gau2grid is a python-generated C library for vectorized computation of grid to
gaussian collocation matrices. The core of gau2grid is generating the
collocation matrices between a real space grid and a gaussian basis set
expanded to a given angular momenta.
.
This package contains the python3 module.
Package: libgg2
Architecture: any
Multi-Arch: same
Depends: ${shlibs:Depends},
${misc:Depends},
Description: Computing gaussians on a grid
gau2grid is a python-generated C library for vectorized computation of grid to
gaussian collocation matrices. The core of gau2grid is generating the
collocation matrices between a real space grid and a gaussian basis set
expanded to a given angular momenta.
.
This package contains the shared library.
Package: libgg-dev
Architecture: any
Section: libdevel
Depends: libgg2 (= ${binary:Version}),
${shlibs:Depends},
${misc:Depends},
Description: Computing gaussians on a grid (development files)
gau2grid is a python-generated C library for vectorized computation of grid to
gaussian collocation matrices. The core of gau2grid is generating the
collocation matrices between a real space grid and a gaussian basis set
expanded to a given angular momenta.
.
This package contains the header and cmake support files.
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