Port details |
- elk All-electron full-potential linearised augmented-planewave code
- 10.1.12 science =2 10.0.15Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2018-09-23 08:43:46
- Last Update: 2024-10-07 09:42:12
- Commit Hash: 969c67a
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- License: GPLv3
- WWW:
- http://elk.sourceforge.net/
- Description:
- An all-electron full-potential linearised augmented-plane wave (LAPW) code with
many advanced features. Written originally at Karl-Franzens-Universitat Graz as
a milestone of the EXCITING EU Research and Training Network, the code is
designed to be as simple as possible so that new developments in the field of
density functional theory (DFT) can be added quickly and reliably.
- ¦ ¦ ¦ ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- elk-chemistry>0:science/elk
- To install the port:
- cd /usr/ports/science/elk/ && make install clean
- To add the package, run one of these commands:
- pkg install science/elk
- pkg install elk-chemistry
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: elk-chemistry
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1728291677
SHA256 (elk-chemistry/elk-10.1.12.tgz) = 46de49c808aee4f17966b3843121b55bc6809366c7829b73fb0c9b95c3c12074
SIZE (elk-chemistry/elk-10.1.12.tgz) = 2903018
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:
-
- gfortran13 : lang/gcc13
- gmake>=4.4.1 : devel/gmake
- as : devel/binutils
- Runtime dependencies:
-
- gfortran13 : lang/gcc13
- Library dependencies:
-
- libblas.so : math/blas
- libblis.so : math/blis
- libfftw3.so : math/fftw3
- libfftw3f.so : math/fftw3-float
- liblapack.so : math/lapack
- libopenblas.so : math/openblas
- libwannier.so : science/wannier90
- libxc.so : science/libxc
- libmpich.so : net/mpich
- There are no ports dependent upon this port
Configuration Options:
- ===> The following configuration options are available for elk-chemistry-10.1.12:
DOCS=on: Build and/or install documentation
EXAMPLES=on: Build and/or install examples
NATIVE=off: Use native optimization (-march=native)
OPENMP=on: Parallel processing support via OpenMP
====> MPI (Message Passing Interface) support: you can only select none or one of them
MPICH=on: Parallel processing support via MPICH
OPENMPI=off: Parallel processing support via Open MPI
===> Use 'make config' to modify these settings
- Options name:
- science_elk
- USES:
- fortran gmake tar:tgz mpi:mpich pkgconfig
- 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 |
10.1.12 07 Oct 2024 09:42:12 |
Yuri Victorovich (yuri) |
science/elk: update 10.0.15 → 10.1.12
Reported by: portscout |
10.0.15 14 Aug 2024 21:06:57 |
Yuri Victorovich (yuri) |
science/elk: update 10.0.1 → 10.0.15 |
10.0.1 26 Jun 2024 18:50:37 |
Yuri Victorovich (yuri) |
science/elk: update 9.6.8 → 10.0.1 |
9.6.8_1 21 Jun 2024 17:49:24 |
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade to OpenBLAS |
9.6.8 18 Jun 2024 04:17:26 |
Yuri Victorovich (yuri) |
science/elk: update 9.5.14 → 9.6.8 |
9.5.14 14 Apr 2024 19:07:34 |
Yuri Victorovich (yuri) |
science/elk: update 9.5.1 → 9.5.14
Reported by: portscout |
9.5.1 04 Apr 2024 08:05:02 |
Yuri Victorovich (yuri) |
science/elk: update 9.4.2 → 9.5.1
Reported by: portscout |
9.4.2 21 Feb 2024 10:05:12 |
Yuri Victorovich (yuri) |
science/elk: update 9.2.12 → 9.4.2
Reported by: portscout |
9.2.12_1 01 Jan 2024 11:49:51 |
Thierry Thomas (thierry) |
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0
PR: 275860 |
9.2.12 19 Dec 2023 09:36:38 |
Yuri Victorovich (yuri) |
science/elk: update 9.2.5 → 9.2.12
Reported by: portscout |
9.2.5_2 12 Dec 2023 19:03:50 |
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade of OpenBLAS
PR: 273219 |
9.2.5_1 10 Dec 2023 10:23:11 |
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade of MPICH to 4.1.2 |
9.2.5 15 Nov 2023 02:41:04 |
Yuri Victorovich (yuri) |
science/elk: update 8.8.26 → 9.2.5
Reported by: portscout |
8.8.26 18 Jun 2023 20:42:28 |
Yuri Victorovich (yuri) |
science/elk: Update 8.7.2 → 8.8.26
Reported by: portscout |
8.7.2_1 23 Apr 2023 09:09:58 |
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
8.7.2 10 Jan 2023 07:59:55 |
Yuri Victorovich (yuri) |
science/elk: Update 8.6.7 -> 8.7.2
Reported by: portscout |
8.6.7 13 Dec 2022 03:47:34 |
Yuri Victorovich (yuri) |
science/elk: Update 8.5.10 -> 8.6.7
Also add MPI options. |
8.5.10 26 Sep 2022 06:30:25 |
Yuri Victorovich (yuri) |
science/elk: Update 8.5.2 -> 8.5.10
Reported by: portscout |
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) |
8.5.2 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 ) |
8.5.2 06 Sep 2022 07:08:19 |
Yuri Victorovich (yuri) |
science/elk: Update 8.4.30 -> 8.5.2
Reported by: portscout |
8.4.30 05 Jul 2022 22:30:25 |
Yuri Victorovich (yuri) |
science/elk: Update 8.4.21 -> 8.4.30
Reported by: portscout |
8.4.21 05 Jun 2022 20:21:25 |
Yuri Victorovich (yuri) |
science/elk: Update 8.4.6 -> 8.4.21
Reported by: portscout |
8.4.6 09 Apr 2022 02:30:28 |
Yuri Victorovich (yuri) |
science/elk: Update 8.3.22 -> 8.4.6
Reported by: portscout |
8.3.22 06 Feb 2022 17:43:12 |
Yuri Victorovich (yuri) |
science/elk: Update 8.3.15 -> 8.3.22
Reported by: portscout |
8.3.15 14 Jan 2022 16:48:12 |
Yuri Victorovich (yuri) |
science/elk: Update 7.2.42 -> 8.3.15 |
7.2.42 14 Jun 2021 18:26:02 |
Yuri Victorovich (yuri) |
science/elk: Update 7.1.14 -> 7.2.42 |
7.1.14 07 Apr 2021 08:09:01 |
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
7.1.14 06 Apr 2021 14:31:07 |
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
7.1.14 15 Mar 2021 18:04:26 |
yuri |
science/elk: Update 6.8.4 -> 7.1.14
Reported by: upstream notification |
6.8.4 05 Jan 2021 07:42:50 |
yuri |
science/elk: Not broken any more. |
6.8.4 01 Jan 2021 21:01:27 |
antoine |
Mark BROKEN: missing LIB_DEPENDS
===> elk-chemistry-6.8.4 depends on shared library: libwannier.so - not found
Reported by: pkg-fallout |
6.8.4 17 Nov 2020 22:32:32 |
linimon |
Add workaround for new failure with Fortran GCC 10 frontend:
Type mismatch in argument 'cc' at (1); passed COMPLEX(8) to REAL(8)
PR: 246700
Approved by: maintainer |
6.8.4 30 Jun 2020 15:12:48 |
yuri |
science/elk: Update 5.2.14 -> 6.8.4
Reported by: portscout |
5.2.14_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 |
5.2.14_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 |
5.2.14_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 |
5.2.14 23 Sep 2018 08:43:32 |
yuri |
New port: science/elk: All-electron full-potential linearised
augmented-planewave code |