quantum-espresso - Package for research in electronic structure, simulation, optimization

Property Value
Distribution FreeBSD 12
Repository FreeBSD Ports Latest amd64
Package filename quantum-espresso-6.4.1_2.txz
Package name quantum-espresso
Package version 6.4.1
Package release 2
Package architecture amd64
Package type txz
Category science
Homepage https://www.quantum-espresso.org/
License GPLv2
Maintainer yuri@FreeBSD.org
Download size 28.22 MB
Installed size 257.08 MB
Quantum ESPRESSO is an integrated suite of open-source computer codes
for electronic-structure calculations and materials modeling at the nanoscale.
It is based on density-functional theory, plane waves, and pseudopotentials.
Quantum ESPRESSO has evolved into a distribution of independent and
inter-operable codes in the spirit of an open-source project. The Quantum
ESPRESSO distribution consists of a "historical" core set of components, and
a set of plug-ins that perform more advanced tasks, plus a number of third-party
packages designed to be inter-operable with the core components. Researchers
active in the field of electronic-structure calculations are encouraged to
participate in the project by contributing their own codes or by implementing
their own ideas into existing codes.
You probably also need to install the Quantum ESPRESSO pseudopotentials library:
quantum-espresso-pseudopotentials (science/quantum-espresso-pseudopotentials).
WWW: https://www.quantum-espresso.org/


Package Version Architecture Repository
quantum-espresso-6.4.1_2.txz 6.4.1 i386 FreeBSD Ports Latest
quantum-espresso-6.4.1_2.txz 6.4.1 i386 FreeBSD Ports Quarterly
quantum-espresso-6.4.1_2.txz 6.4.1 amd64 FreeBSD Ports Quarterly
quantum-espresso - - -


Name Value
blas = 3.5.0_6
gcc9 = 9.1.0_1
lapack = 3.5.0_8
libblas.so.2 -
libgfortran.so.5 -
liblapack.so.4 -
libmpi.so.12 -
libmpifort.so.12 -
libquadmath.so.0 -
mpich = 3.2.1_5
python36 = 3.6.9


Type URL
Mirror pkg.freebsd.org
Binary Package quantum-espresso-6.4.1_2.txz
Source Package science/quantum-espresso

Install Howto

Install quantum-espresso txz package:

# pkg install quantum-espresso

See Also

Package Description
quantum-espresso-pseudopotentials-g20180406_2.txz Pseudopotentials for use with Quantum Espresso
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