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
License GPLv3+
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.
You installed GPAW, the system for DFT computations in quantum
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.


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 - - -


Name Value
gettext-runtime = 0.20.1 - - - -
libxc = 4.2.3_3 -
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


Type URL
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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