science/py-gpaw 26.7.0 FreeBSD

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

System: FreeBSD
Repository: FreeBSD ports
Maintainer: [email protected]
Last update: 2026-09-30
Commit: ce410ce1e5
License: GPLv3+
Categories: science, python
Package size: 5194.3 KiB, 31115.2 KiB installed

Description

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.

In the other systems

System

Port

Version

FreeBSD

science/py-gpaw

26.7.0

DragonFly

science/py-gpaw

24.6.0_3

Install

Binary package:

pkg install py312-gpaw

From the ports tree:

cd /usr/ports/science/py-gpaw/ && make install clean

To depend on this port in another port's Makefile:

RUN_DEPENDS=	py312-gpaw>0:science/py-gpaw

Packages

The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.

Repository

aarch64

amd64

armv6

armv7

i386

FreeBSD:14:latest

26.7.0

24.6.0_3

26.7.0

FreeBSD:14:quarterly

26.7.0

n/a

24.6.0_3

26.7.0

FreeBSD:15:latest

26.7.0

n/a

24.6.0_3

FreeBSD:15:quarterly

26.7.0

n/a

FreeBSD:16:latest

26.7.0

n/a

FreeBSD:16:quarterly

n/a

Dependencies

As this port's Makefile names them.

Build 2

${PYTHON_PKGNAMEPREFIX}numpy>=1.20 : math/py-numpy
${PYTHON_PKGNAMEPREFIX}pybind11>=2.6.2 : devel/py-pybind11

Library 4

libblas.so : math/blas
libmpich.so : net/mpich
libopenblas.so : math/openblas
libxc.so : science/libxc

Runtime 5

${PYTHON_PKGNAMEPREFIX}ase>=3.29.0 : science/py-ase
${PYTHON_PKGNAMEPREFIX}matplotlib>0 : math/py-matplotlib
${PYTHON_PKGNAMEPREFIX}numpy>=1.20 : math/py-numpy
${PYTHON_PKGNAMEPREFIX}scipy>=1.6.0 : science/py-scipy
gpaw-setups>0 : science/gpaw-setups

The full lists below include those, and their dependencies in turn.

Build dependencies 31

Run dependencies 93

No port depends on this one.

Configuration

No options to configure.

USES: gettext-runtime localbase python
Service scripts: none

Message after installing

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.

Files

distinfo 1

File

Size

SHA256

gpaw-26.7.0.tar.gz

2.679607e+06

1509af00cfcd032bbbce197a5b3e37edb82bf458db5e200f6a105ec74efbca15

Master sites 1

PYPI

Commit history 1

Date Commit Credits Log message

2026-09-30 ce410ce1e5 Yuri Victorovich science/py-gpaw: update 25.7.0 → 26.7.0