| Port details |
- berkeleygw Scientific program aimed at the ab initio virtual experimentation
- 4.0_2 science
 =2      4.0_1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2018-11-19 21:56:45
- Last Update: 2025-01-28 16:42:55
- Commit Hash: e54e2c6
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- 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 = 1718407729
SHA256 (22edl07muvhfnd900tnctsjjftbtcqc4.gz) = 1a85b03b83b339056f65124bfa96832ca61152236d9bb1cb372e3040fc686a49
SIZE (22edl07muvhfnd900tnctsjjftbtcqc4.gz) = 80715740
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>=4.4.1 : devel/gmake
- gfortran13 : lang/gcc13
- python3.11 : lang/python311
- as : devel/binutils
- Test dependencies:
-
- python3.11 : lang/python311
- Runtime dependencies:
-
- bash : shells/bash
- gfortran13 : lang/gcc13
- python3.11 : lang/python311
- 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-4.0_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:
|
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
4.0_2
28 Jan 2025 16:42:55
 |
Thierry Thomas (thierry) |
*/*: 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 |
4.0_1
21 Jun 2024 17:49:24
|
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade to OpenBLAS |
4.0
15 Jun 2024 09:12:39
|
Yuri Victorovich (yuri) |
science/berkeleygw: update 3.0.1 → 4.0 |
3.0.1_2
06 Feb 2024 03:17:59
|
Yuri Victorovich (yuri) |
science/berkeleygw: Broken on powerpc64le
Reported by: fallout |
3.0.1_2
12 Dec 2023 19:03:50
|
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade of OpenBLAS
PR: 273219 |
3.0.1_1
23 Apr 2023 09:09:58
|
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
07 Sep 2022 21:58:51
|
Stefan Eßer (se) |
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) |
3.0.1
07 Sep 2022 21:10:59
|
Stefan Eßer (se) |
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  ) |
3.0.1
20 Jul 2022 02:27:06
|
Yuri Victorovich (yuri) |
science/berkeleygw: Improve BROKEN line |
3.0.1
21 May 2022 05:25:01
|
Yuri Victorovich (yuri) |
science/berkeleygw: Update 2.0.0 -> 3.0.1 |
2.0.0_5
07 Apr 2021 08:09:01
|
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
2.0.0_5
06 Apr 2021 14:31:07
|
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
2.0.0_5
17 Nov 2020 21:37:49
 |
linimon |
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 |
2.0.0_5
25 Jun 2020 06:50:18
|
tobik |
science/berkeleygw: Unbreak build with GCC 10
epsilon_main.f90:1271:72:
1271 | call epsinv(gvec,pol,ekin,qq,is_q0,crys,scal,kp,omega_plasma,iq)
| 1
Error: Missing actual argument for argument '_formal_18' at (1)
http://package18.nyi.freebsd.org/data/121amd64-default-PR244494/2020-06-10_18h04m44s/logs/errors/BerkeleyGW-2.0.0_5.log
PR: 246700 |
2.0.0_5
06 May 2020 16:39:12
|
yuri |
Bump 37 ports depending on math/openblas through USES=blaslapack:openblas
because after the recent math/openblas update the library name changed in
openblas |
2.0.0_4
30 Jan 2020 14:17:44
|
swills |
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 |
2.0.0_3
26 Jul 2019 20:46:57
|
gerald |
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 |
2.0.0_2
22 Apr 2019 13:16:34
|
gerald |
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 |
2.0.0_1
12 Dec 2018 01:35:36
|
gerald |
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 |
2.0.0
19 Nov 2018 21:56:10
|
yuri |
New port: science/berkeleygw: Scientific program aimed at the ab initio virtual
experimentation
Only a serial version for now. |
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