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Source: gpaw
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Marcin Dulak <Marcin.Dulak@gmail.com>,
Graham Inggs <ginggs@debian.org>
Section: science
Priority: optional
Build-Depends: debhelper-compat (= 13),
dh-python,
gpaw-data,
libblas-dev,
libelpa-dev (>= 2017.12.01),
libfftw3-dev,
libscalapack-mpi-dev (>= 2.0.2),
libxc-dev,
mpi-default-dev,
python3-all-dev,
python3-ase (>= 3.21.0),
python3-numpy,
python3-pytest,
python3-scipy,
python3-setuptools
Standards-Version: 4.5.1
Rules-Requires-Root: no
Vcs-Browser: https://salsa.debian.org/debichem-team/gpaw
Vcs-Git: https://salsa.debian.org/debichem-team/gpaw.git
Homepage: https://wiki.fysik.dtu.dk/gpaw/
Package: gpaw
Architecture: any
Depends: gpaw-data,
openmpi-bin,
python3-ase (>= 3.21.0),
python3-scipy
${misc:Depends},
${python3:Depends},
${shlibs:Depends}
Description: DFT and beyond within the projector-augmented wave method
A density-functional theory (DFT) Python code
based on the projector-augmented wave (PAW) method and the
atomic simulation environment (ASE). It uses real-space uniform grids and
multigrid methods, atom-centered basis-functions or plane-waves.
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