| Port details on branch 2022Q3 |
- berkeleygw Scientific program aimed at the ab initio virtual experimentation
- 3.0.1_2 science
 =0      3.0.1_2Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2018-11-19 21:56:45
- Last Update: 2024-02-06 03:17:59
- Commit Hash: abb44f5a
- License: BSD3CLAUSE
- WWW:
- https://berkeleygw.org
- Description:
- 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.
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- BerkeleyGW>0:science/berkeleygw
- To install the port:
- cd /usr/ports/science/berkeleygw/ && make install clean
- To add the package, run one of these commands:
- pkg install science/berkeleygw
- pkg install BerkeleyGW
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: BerkeleyGW
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1653108006
SHA256 (m1dgnhiemo47lhxczrn6si71bwxoxor8.gz) = 7d8c2cc1ee679afb48efbdd676689d4d537226b50e13a049dbcb052aaaf3654f
SIZE (m1dgnhiemo47lhxczrn6si71bwxoxor8.gz) = 63370642
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- bash : shells/bash
- gmake>=4.3 : devel/gmake
- gfortran12 : lang/gcc12
- python3.9 : lang/python39
- as : devel/binutils
- Test dependencies:
-
- python3.9 : lang/python39
- Runtime dependencies:
-
- bash : shells/bash
- gfortran12 : lang/gcc12
- python3.9 : lang/python39
- Library dependencies:
-
- libfftw3.so : math/fftw3
- libopenblas.so : math/openblas
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for BerkeleyGW-3.0.1_2:
EXAMPLES=on: Build and/or install examples
===> Use 'make config' to modify these settings
- Options name:
- science_berkeleygw
- USES:
- blaslapack:openblas gmake fortran python shebangfix
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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