BSD Ports

science/atompaw 4.2.0.5_2 FreeBSD

Tool for projector augmented wave functions for molecular simulations

System
FreeBSD
Repository
FreeBSD ports
Maintainer
[email protected]
Last update
Commit
0a1c1843be
License
GPLv3
Categories
science

Description

atompaw is a tool to generate projector and basis functions needed for performing electronic structure calculations based on the projector augmented wave (PAW) method.

PAW method is based on the publication http://www.sciencedirect.com/science/article/pii/S0370157300000077

In the other systems

SystemPortVersion
FreeBSDscience/atompaw4.2.0.5_2
DragonFlyscience/atompaw4.2.0.3_2

Install

Binary package:

pkg install atompaw

From the ports tree:

cd /usr/ports/science/atompaw/ && make install clean

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

RUN_DEPENDS=	atompaw>0:science/atompaw

Packages

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

Repositoryaarch64amd64armv6armv7i386
FreeBSD:14:latest-4.2.0.5_2-4.2.0.3_24.2.0.5_2
FreeBSD:14:quarterly-4.2.0.5_2n/a4.2.0.3_24.2.0.5_2
FreeBSD:15:latest-4.2.0.5_2n/a4.2.0.3_24.2.0.3_2
FreeBSD:15:quarterly-4.2.0.5_2n/an/an/a
FreeBSD:16:latest-4.2.0.5_2n/an/an/a
FreeBSD:16:quarterlyn/an/an/an/an/a

Dependencies

The Makefile names none itself; they come from USES and USE_*.

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

Build dependencies 17
Run dependencies 16

Configuration

Options name: science_atompaw

OptionDefaultDescription
DOCSoffBuild and/or install documentation
LIBXConBuild with libxc
USES
blaslapack:openblas fortran gmake libtool
Service scripts
none

Files

distinfo 1
FileSizeSHA256
atompaw-4.2.0.5.tar.gz5.861314e+0645c66e02629252ba1065aa245a277af9528ed5d560c2f11979452a7ec6e99ac8
Master sites 1
  • http://users.wfu.edu/natalie/papers/pwpaw/

Commit history 1

DateCommitCreditsLog message
0a1c1843be Yuri Victorovich science/atompaw: Broken on aarch64
Reported by: fallout