cp2k-6.1.0_7.txz


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Description

cp2k - Quantum chemistry and solid state physics software package

Property Value
Distribution FreeBSD 11
Repository FreeBSD Ports Quarterly i386
Package filename cp2k-6.1.0_7.txz
Package name cp2k
Package version 6.1.0
Package release 7
Package architecture i386
Package type txz
Category science
Homepage https://www.cp2k.org/
License GPLv2+
Maintainer yuri@FreeBSD.org
Download size 17.28 MB
Installed size 62.16 MB
CP2K is a quantum chemistry and solid state physics software package that can
perform atomistic simulations of solid state, liquid, molecular, periodic,
material, crystal, and biological systems. CP2K provides a general framework for
different modeling methods such as DFT using the mixed Gaussian and plane waves
approaches GPW and GAPW. Supported theory levels include DFTB, LDA, GGA, MP2,
RPA, semi-empirical methods (AM1, PM3, PM6, RM1, MNDO, ...), and classical force
fields (AMBER, CHARMM, ...). CP2K can do simulations of molecular dynamics,
metadynamics, Monte Carlo, Ehrenfest dynamics, vibrational analysis, core level
spectroscopy, energy minimization, and transition state optimization using NEB
or dimer method.
WWW: https://www.cp2k.org/
Options:
- LIBINT: on
- SERIAL: on
- OPENMP: off
- MPI: off
- OPENMP_MPI: off

Alternatives

Package Version Architecture Repository
cp2k-6.1.0_7.txz 6.1.0 amd64 FreeBSD Ports Quarterly
cp2k - - -

Requires

Name Value
blas = 3.5.0_6
cp2k-data = 6.1.0
fftw3 = 3.3.8_4
gcc9 = 9.2.0
lapack = 3.5.0_8
libblas.so.2 -
libderiv.so.1 -
libfftw3.so.3 -
libgfortran.so.5 -
libint = 1.2.1.15
libint.so.1 -
liblapack.so.4 -
libquadmath.so.0 -

Download

Type URL
Mirror pkg.freebsd.org
Binary Package cp2k-6.1.0_7.txz
Source Package science/cp2k

Install Howto

Install cp2k txz package:

# pkg install cp2k

See Also

Package Description
cp2k-data-6.1.0.txz Data for cp2k quantum chemistry package
cpan-upload-2.2_2.txz Script for uploading distributions to CPAN
cpan-upload-http-2.4_1.txz Perl script to upload one or more files to CPAN, using PAUSE
cparser-0.9.14.txz C99 compiler using libFIRM as backend
cpdup-1.20.txz Comprehensive filesystem mirroring and backup program
cpige-1.5_1.txz Icecast/Shoutcast stream ripper
cpipe-3.0.2.txz Benchmarking tool for pipes
cplanet-0.9_2.txz RSS Feed Aggregator that generate static html
cplay-1.50_1.txz Curses-based front-end for various audio players
cpmemu-0.2.1.1.txz Cpm emulator
cpmtools-1.1_1.txz Utility to transfer files from/to CP/M (R) diskettes
cpmtools2-2.20.txz Tools to access CP/M disks and disk images
cpp-hocon-0.2.1_5.txz C++ configuration library
cpp-netlib-0.12.0_11.txz Cross-platform, standards compliant networking library
cpp-xmms2-0.8_21.txz C++ Bindings for XMMS2
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