Package: gpaw (25.7.0-1 and others)

[ Source: gpaw  ]

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.

Other Packages Related to gpaw

• dep: gpaw-data

  gpaw datasets/setups

• dep: libblas3 [x32]

  Basic Linear Algebra Reference implementations, shared library

  or libblas.so.3

  virtual package provided by libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial

• dep: libc6 (>= 2.16) [x32]

  GNU C Library: Shared libraries
  also a virtual package provided by libc6-udeb

  dep: libc6 (>= 2.3.4) [hppa]

  dep: libc6 (>= 2.37) [sh4]

  dep: libc6 (>= 2.38) [not alpha, hppa, loong64, m68k, sh4, x32]

  dep: libc6 (>= 2.4) [m68k]

  dep: libc6 (>= 2.41) [loong64]

• dep: libc6.1 (>= 2.38) [alpha]

  GNU C Library: Shared libraries
  also a virtual package provided by libc6.1-udeb

• dep: libelpa19 (>= 2022.11.001) [not x32]

  Eigenvalue SoLvers for Petaflop-Applications

• dep: libfftw3-dev [x32]

  Library for computing Fast Fourier Transforms - development

• dep: libfftw3-double3 (>= 3.3.10) [not x32]

  Library for computing Fast Fourier Transforms - Double precision

• dep: libopenmpi3 (>= 4.0.4) [x32]

  high performance message passing library -- shared library

• dep: libopenmpi3t64 (>= 4.1.6) [hppa, m68k, sh4]

  high performance message passing library -- shared library

• dep: libopenmpi40 (>= 5.0.9) [not hppa, m68k, sh4, x32]

  high performance message passing library -- shared library

• dep: libscalapack-openmpi2.2 (>= 2.2.1) [hppa, m68k, sh4]

  Scalable Linear Algebra Package - Shared libs for OpenMPI

  dep: libscalapack-openmpi2.2 (>= 2.2.2) [not hppa, m68k, sh4, x32]

• dep: libxc5 (>= 4.2.1) [x32]

  Package not available

• dep: libxc9 (>= 5.0.0) [not x32]

  Library of Exchange-Correlation Functionals

• dep: openmpi-bin

  high performance message passing library -- binaries

• dep: python3

  interactive high-level object-oriented language (default python3 version)

  dep: python3 (<< 3.13) [hppa, m68k, sh4]

  dep: python3 (<< 3.15) [not hppa, m68k, sh4, x32]

  dep: python3 (<< 3.9) [x32]

  dep: python3 (>= 3.11~) [hppa, m68k, sh4]

  dep: python3 (>= 3.13~) [not hppa, m68k, sh4, x32]

  dep: python3 (>= 3.8~) [x32]

• dep: python3-ase (>= 3.18.0) [x32]

  Atomic Simulation Environment (Python 3)

  dep: python3-ase (>= 3.22.1) [hppa, m68k, sh4]

  dep: python3-ase (>= 3.25.0) [not hppa, m68k, sh4, x32]

• dep: python3-numpy [not hppa, m68k, sh4, x32]

  Python library for numerical computations (Python 3)

  dep: python3-numpy (>= 1:1.16.0~rc1) [x32]

  dep: python3-numpy (>= 1:1.25.0) [hppa, m68k, sh4]

• dep: python3-numpy-abi9 [hppa, m68k, sh4, x32]

  virtual package provided by python3-numpy

• dep: python3-numpy2-abi0 [not hppa, m68k, sh4, x32]

  virtual package provided by python3-numpy

  or python3-numpy-abi9

  virtual package provided by python3-numpy

• dep: python3-scipy [not x32]

  scientific tools for Python 3

• dep: python3-yaml [hppa, m68k, sh4]

  YAML parser and emitter for Python3

• rec: python3-scipy

  scientific tools for Python 3

Download gpaw

Download for all available architectures

Architecture	Version	Package Size	Installed Size	Files
alpha (unofficial port)	25.7.0-1+b1	1,532.8 kB	8,888.0 kB	[list of files]
amd64	25.7.0-1+b1	1,537.9 kB	8,820.0 kB	[list of files]
arm64	25.7.0-1+b1	1,518.2 kB	8,756.0 kB	[list of files]
hppa (unofficial port)	24.1.0-1	1,433.8 kB	8,186.0 kB	[list of files]
loong64 (unofficial port)	25.7.0-1+b1	1,522.8 kB	8,756.0 kB	[list of files]
m68k (unofficial port)	24.1.0-1	1,416.2 kB	8,192.0 kB	[list of files]
ppc64 (unofficial port)	25.7.0-1+b1	1,543.8 kB	9,012.0 kB	[list of files]
ppc64el	25.7.0-1+b1	1,546.2 kB	8,884.0 kB	[list of files]
riscv64	25.7.0-1+b1	1,537.9 kB	8,620.0 kB	[list of files]
s390x	25.7.0-1+b1	1,546.3 kB	8,836.0 kB	[list of files]
sh4 (unofficial port)	24.1.0-1	1,462.3 kB	8,130.0 kB	[list of files]
sparc64 (unofficial port)	25.7.0-1+b1	1,517.3 kB	10,174.0 kB	[list of files]
x32 (unofficial port)	20.1.0-2	1,126.8 kB	6,028.0 kB	[list of files]