py36-gpaw-1.5.2_1.txz


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Description

py36-gpaw - DFT and beyond within the projector-augmented wave method in chemistry

Property Value
Distribution FreeBSD 12
Repository FreeBSD Ports Latest i386
Package filename py36-gpaw-1.5.2_1.txz
Package name py36-gpaw
Package version 1.5.2
Package release 1
Package architecture i386
Package type txz
Category python science
Homepage https://wiki.fysik.dtu.dk/gpaw/
License GPLv3+
Maintainer yuri@FreeBSD.org
Download size 2.28 MB
Installed size 13.23 MB
GPAW is a density-functional theory (DFT) Python code based on the
projector-augmented wave (PAW) method and the atomic simulation
environment (ASE). It uses plane-waves, atom-centered basis-functions
or real-space uniform grids combined with multigrid methods.
WWW: https://wiki.fysik.dtu.dk/gpaw/
You installed GPAW, the system for DFT computations in quantum
chemistry.
In order to use this package you most likely need to also install
science/gpaw-setups that contains data files for electronic
configurations for many elements of the periodic table.
install

Alternatives

Package Version Architecture Repository
py36-gpaw-1.5.2_1.txz 1.5.2 amd64 FreeBSD Ports Latest
py36-gpaw-1.5.2_1.txz 1.5.2 i386 FreeBSD Ports Quarterly
py36-gpaw-1.5.2_1.txz 1.5.2 amd64 FreeBSD Ports Quarterly
py36-gpaw - - -

Requires

Name Value
gettext-runtime = 0.20.1
libintl.so.8 -
libmpi.so.12 -
libopenblas.so.0 -
libpython3.6m.so.1.0 -
libxc = 4.2.3_3
libxc.so.5 -
mpich = 3.2.1_5
openblas = 0.2.20_10,1
py36-ase = 3.18.0_1
py36-matplotlib = 2.2.4_1
py36-numpy = 1.16.4_1,1
py36-setuptools = 41.1.0
python36 = 3.6.9

Download

Type URL
Mirror pkg.freebsd.org
Binary Package py36-gpaw-1.5.2_1.txz
Source Package science/py-gpaw

Install Howto

Install py36-gpaw txz package:

# pkg install py36-gpaw

See Also

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