BSD Ports

science/qwalk 1.0.1.300_6 FreeBSD

Quantum Monte Carlo package for quantum chemistry computations

System
FreeBSD
Repository
FreeBSD ports
Maintainer
[email protected]
License
GPLv2
Categories
science
Package size
1294.6 KiB, 5987.1 KiB installed

Description

QWalk is a high-accuracy quantum Monte Carlo (QMC) program designed for electronic structure calculations in molecules and solids. It serves as a research vehicle for developing new algorithms and methods, capable of scaling up to large system sizes and finding very accurate solutions to the stationary Schrodinger equation for atoms, molecules, solids, and various model systems.

Its primary application lies in computational condensed-matter physics and chemistry, particularly for studying correlated electron systems and determining both ground-state and excited-state properties of quantum systems. QWalk provides a robust platform for advanced research in quantum chemistry and materials science.

In the other systems

SystemPortVersion
FreeBSDscience/qwalk1.0.1.300_6
DragonFlyscience/qwalk1.0.1.300_6

Install

Binary package:

pkg install qwalk

From the ports tree:

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

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

RUN_DEPENDS=	qwalk>0:science/qwalk

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:latest1.0.1.300_61.0.1.300_6-1.0.1.300_61.0.1.300_6
FreeBSD:14:quarterly1.0.1.300_61.0.1.300_6n/a1.0.1.300_61.0.1.300_6
FreeBSD:15:latest1.0.1.300_61.0.1.300_6n/a1.0.1.300_61.0.1.300_6
FreeBSD:15:quarterly1.0.1.300_61.0.1.300_6n/an/an/a
FreeBSD:16:latest1.0.1.300_61.0.1.300_6n/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 13
Run dependencies 11

No port depends on this one.

Configuration

No options to configure.

USES
compiler:c++11-lang fortran gmake gnome perl5
Service scripts
none

Files

pkg-plist 10
  • bin/abinit2qmc
  • bin/crystal2qmc
  • bin/g032qmc
  • bin/gamess2qmc
  • bin/gamessci2qmc
  • bin/gosling
  • bin/heg2qmc
  • bin/nwchem2qmc
  • bin/qwalk
  • bin/siesta2qmc
distinfo 1
FileSizeSHA256
QWalk-mainline-v1.0.1-300-g1b7e381_GH0.tar.gz9807714d33a16cc0ad9ec3ca339b102f2a16cb6a70609212d06c19c75163547f0282f7

Commit history 0

No commits in the history this site was built from.