The BerkeleyGW package is a set of computer codes that calculates the
quasiparticle properties and the optical responses of a large variety of
materials from bulk periodic crystals to nanostructures such as slabs, wires and
molecules. The package takes as input the mean-field results from various
electronic structure codes such as the Kohn-Sham DFT eigenvalues and
eigenvectors computed with PARATEC, Quantum ESPRESSO, SIESTA, PARSEC, Abinit,
Octopus, or TBPW (aka EPM). The package consists of the three main component
codes:
* Epsilon computes the irreducible polarizability in the Random Phase
Approximation and uses it to generate the dielectric matrix and its inverse.
* Sigma computes the self-energy corrections to the DFT eigenenergies using the
GW approximation of Hedin and Lundqvist, applying the first-principles
methodology of Hybertsen and Louie within the generalized plasmon-pole model
for the frequency-dependent dielectric matrix.
* BSE solves the Bethe-Salpeter equation for correlated electron-hole excitations.
===> The following configuration options are available for BerkeleyGW-4.0_4:
EXAMPLES=on: Build and/or install examples
===> Use 'make config' to modify these settings
science/berkeleygw: Constrain to gfortran
In its current form the port is wired to gcc. The same can be said about
upstream, which does not proved .mk files for Flang.
*/*: bump PORTREVISION after OpenBLAS upgrade
Remark: this souldn’t be necessary, because the version of the library is the
same, but due to many changes between these releases, it is safer this way.
PR: 284314
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 )
Mark BROKEN on i386 and GCC 10:
Type mismatch between actual argument at (1) and actual argument at (2)
(INTEGER(4)/REAL(4)).
Per the maintainer, this is probably an error in GCC 10's i386 Fortran
frontend. But, this should not hold up our update to GCC 10 as ports
default.
PR: 246700 (partial)
Approved by: maintainer
Bump 37 ports depending on math/openblas through USES=blaslapack:openblas
because after the recent math/openblas update the library name changed in
openblas
Fix math/openblas and bump dependent ports
* Fix build on i386 [1]
* Fix science/code_saturne build with new openblas [2]
* Avoid installing private headers [3]
* Prevent build from optimizing for host by correcting build confg [4]
* Bump portrevision of dependent ports [5]
This is correcting issues from r523749 [1][2][4] and r515970 [3]
PR: 231371
Reported by: build cluster [1]
Reported by: Dima Pasechnik <dimpase+freebsd@gmail.com> [2]
Reported by: many [5]
Reviewed by: mat, bapt
Approved by: implicit, since this is a build fix
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
