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.
===> The following configuration options are available for wannier90-4.0.3:
WITH_C=on: Build C interface
====> MPI (Message Passing Interface) support: you can only select none or one of them
NOMPI=on: MPI isn't used
MPICH=off: Parallel processing support via MPICH
OPENMPI=off: Parallel processing support via Open MPI
===> Use 'make config' to modify these settings
Remove WWW entries moved into port Makefiles
Commit b7f05445c00f has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.
This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.
Approved by: portmgr (tcberner)
Add WWW entries to port Makefiles
It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.
Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.
There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.
(Only the first 15 lines of the commit message are shown above )
science/wannier90: Rename the shared library libwannier90.so -> libwannier.so to
match the static library name that it creates
Project makefiles have LIBRARY=libwannier.a
Bump PORTREVISION for ports depending on the canonical version of GCC
as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3
to GCC 9.1 under most circumstances now after revision 507371.
This includes ports
- with USE_GCC=yes or USE_GCC=any,
- with USES=fortran,
- using Mk/bsd.octave.mk which in turn features USES=fortran, and
- with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, everything INDEX-11 shows with a dependency on lang/gcc9 now.
PR: 238330
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.
Suggested by: tijl
Bump PORTREVISION for ports depending on the canonical version of GCC
defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t
GCC 8.2 under most circumstances.
This includes ports
- with USE_GCC=yes or USE_GCC=any,
- with USES=fortran,
- using Mk/bsd.octave.mk which in turn features USES=fortran, and
- with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, as a double check, everything INDEX-11 showed depending on lang/gcc7.
PR: 231590
