nwchem-6.8.1.20190820.txz


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Description

nwchem - High-performance computational chemistry software

Property Value
Distribution FreeBSD 11
Repository FreeBSD Ports Latest amd64
Package filename nwchem-6.8.1.20190820.txz
Package name nwchem
Package version 6.8.1.20190820
Package release -
Package architecture amd64
Package type txz
Category science
Homepage http://www.nwchem-sw.org/index.php/Main_Page
License ECL20
Maintainer yuri@FreeBSD.org
Download size 8.84 MB
Installed size 55.53 MB
NWChem aims to provide its users with computational chemistry tools that are
scalable both in their ability to treat large scientific computational chemistry
problems efficiently, and in their use of available parallel computing resources
from high-performance parallel supercomputers to conventional workstation
clusters.
NWChem software can handle:
* Biomolecules, nanostructures, and solid-state
* From quantum to classical, and all combinations
* Ground and excited-states
* Gaussian basis functions or plane-waves
* Scaling from one to thousands of processors
* Properties and relativistic effects 
WWW: http://www.nwchem-sw.org/index.php/Main_Page

Alternatives

Package Version Architecture Repository
nwchem-6.8.1.20190820.txz 6.8.1.20190820 i386 FreeBSD Ports Latest
nwchem-6.8.1.20190820.txz 6.8.1.20190820 i386 FreeBSD Ports Quarterly
nwchem-6.8.1.20190820.txz 6.8.1.20190820 amd64 FreeBSD Ports Quarterly
nwchem - - -

Requires

Name Value
blas = 3.5.0_6
ga = 5.7_6
gcc9 = 9.2.0
libarmci.so.0 -
libblas.so.2 -
libcomex.so.0 -
libga.so.1 -
libgfortran.so.5 -
libmpi.so.12 -
libmpifort.so.12 -
libquadmath.so.0 -
mpich = 3.2.1_5
nwchem-data = 6.8.1.20190125

Download

Type URL
Mirror pkg.freebsd.org
Binary Package nwchem-6.8.1.20190820.txz
Source Package science/nwchem

Install Howto

Install nwchem txz package:

# pkg install nwchem

See Also

Package Description
nwchem-data-6.8.1.20190125.txz Data for NWChem, the computational chemistry software
nwreckdum-0.0.6_2.txz Utility for manipulating of Quake packed data files
nx-2.2.0.txz Highly flexible, Tcl-based, object-oriented scripting language
nxcomp-3.5.0.32_2.txz NX X11 protocol compression libraries
nxengine-2.6.4_2.txz Engine-rewrite of the classic platformer Cave Story
nxproxy-3.5.0.33.txz Helper program for x2go
ny-aspell-0.01.0_1,2.txz Aspell Nyanja dictionary
nyan-lang-g20180708_2.txz Data description language designed for openage
nyancat-1.5.2,1.txz Animated telnet server that renders a loop of the nyan cat animation
nylon-1.21_10.txz Unix SOCKS 4 and 5 proxy server
nyx-2.1.0_1.txz Command-line monitor for Tor
nzbget-21.0_2.txz Binary newsreader supporting NZB files
nzbhydra2-2.7.2.txz Usenet meta search
nzbperl-0.6.8_1.txz Perl script for downloading nzb files
o-2.3.1.txz Small, fast and limited text editor in Go
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