wip/py-gpaw 0.9.0.8965nb1 NetBSD

Grid-based real-space PAW method DFT code

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System: NetBSD
Repository: pkgsrc-wip
Maintainer: [email protected]
License: gnu-gpl-v3
Categories: wip, biology, python

Description

A grid-based real-space Projector Augmented Wave (PAW) method Density Functional Theory (DFT) code featuring: Flexible boundary conditions, k-points and gradient corrected exchange-correlation functionals

Install

From pkgsrc-wip (no binary package):

cd /usr/pkgsrc/wip/py-gpaw && make install clean

Dependencies

Run dependencies 3

math/py-numpy
math/py-scipy
wip/py-ase

No port depends on this one.