BSD Ports

science/wannier90 4.0.3 FreeBSD

Maximally-localized Wannier functions (MLWFs) and Wannier90

System
FreeBSD
Repository
FreeBSD ports
Maintainer
[email protected]
Last update
Commit
8618a7e73a
License
GPLv2
Categories
science
Package size
939.7 KiB, 2091.8 KiB installed

Description

Wannier90 is an open-source software package for generating maximally- localized Wannier functions (MLWFs) and utilizing them to calculate advanced electronic properties of materials with high efficiency and accuracy. It is widely used in computational materials science and interfaced with numerous popular electronic structure codes such as Quantum ESPRESSO, ABINIT, VASP, and Siesta.

The program exploits the real-space localization of MLWFs for efficient Wannier interpolation of spectral and Fermi-surface properties. Its applications include calculating electronic band structures, densities of states, Fermi surfaces, and various transport properties. Wannier90 also supports advanced functionalities like symmetry-adapted MLWFs, calculation of shift currents, and Berry-curvature dipole, making it a versatile tool for analyzing chemical bonding, dielectric properties, and topological features in materials.

In the other systems

SystemPortVersion
FreeBSDscience/wannier904.0.3
DragonFlyscience/wannier903.1.0_5
HardenedBSDscience/wannier904.0.2
GhostBSDscience/wannier904.0.2

Install

Binary package:

pkg install wannier90

From the ports tree:

cd /usr/ports/science/wannier90/ && make install clean

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

RUN_DEPENDS=	wannier90>0:science/wannier90
LIB_DEPENDS=	libwannier90.so:science/wannier90

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:latest4.0.24.0.3-3.1.0_54.0.3
FreeBSD:14:quarterly4.0.24.0.2n/a3.1.0_54.0.2
FreeBSD:15:latest4.0.34.0.3n/a3.1.0_53.1.0_5
FreeBSD:15:quarterly4.0.24.0.2n/an/an/a
FreeBSD:16:latest4.0.24.0.3n/an/an/a
FreeBSD:16:quarterlyn/an/an/an/an/a

Dependencies

As this port's Makefile names them.

Test 1

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

Build dependencies 19
Run dependencies 10

Configuration

Options name: science_wannier90

OptionDefaultDescription
MPICHoffParallel processing support via MPICH
NOMPIonMPI isn't used
OPENMPIoffParallel processing support via Open MPI
WITH_ConBuild C interface
USES
cmake:testing blaslapack:netlib fortran python:test shebangfix
Service scripts
none

Files

pkg-plist 32
  • bin/postw90.x
  • bin/wannier90.x
  • include/wannier90.h
  • lib/GNU-14.2.0/modules/Wannier90/w90_comms.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_constants.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_disentangle_mod.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_error.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_error_base.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_hamiltonian.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_io.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_kmesh.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_library.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_library_extra.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_overlap.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_plot_mod.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_readwrite.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_sitesym.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_transport_mod.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_types.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_utility.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_wannier90_readwrite.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_wannier90_types.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_wannierise_mod.mod
  • lib/GNU-14.2.0/modules/Wannier90/w90_ws_distance.mod
  • lib/cmake/Wannier90/Wannier90Config.cmake
  • lib/cmake/Wannier90/Wannier90ConfigVersion.cmake
  • lib/cmake/Wannier90/Wannier90Targets-.cmake
  • lib/cmake/Wannier90/Wannier90Targets.cmake
  • lib/libwannier90.so
  • lib/libwannier90.so.4
  • lib/libwannier90.so.
  • libdata/pkgconfig/wannier90.pc
distinfo 1
FileSizeSHA256
wannier-developers-wannier90-v4.0.3_GH0.tar.gz2.27398429e+088f6577939eecba6f07ea6946b8ed09b7a86beec20159b32a5d8278e7223d58ad

Commit history 3

DateCommitCreditsLog message
8618a7e73a Yuri Victorovich science/wannier90: update 4.0.2 → 4.0.3
31ff04a6fb Yuri Victorovich science/wannier90: update 4.0.1 → 4.0.2
e81ad2d91b Yuri Victorovich science/wannier90: update 3.1.0 → 4.0.1
ChangeLog: https://github.com/wannier-developers/wannier90/releases/tag/v4.0.1