Port details |
- fleur FLAPW code for atomic computations in quantum chemistry and physics
- 7.2 science =2 6.2_4Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2018-09-02 21:10:54
- Last Update: 2024-11-08 21:40:35
- Commit Hash: dad3197
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- License: MIT
- WWW:
- https://www.flapw.de/master/
- Description:
- The FLAPW-Method (Full Potential Linearized Augmented Plane Wave Method) is an
all-electron method which within density functional theory is universally
applicable to all atoms of the periodic table and to systems with compact
as well as open structures. It is widely considered to be the most precise
electronic structure method in solid state physics.
- ¦ ¦ ¦ ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- Conflicts:
- CONFLICTS_BUILD:
- To install the port:
- cd /usr/ports/science/fleur/ && make install clean
- To add the package, run one of these commands:
- pkg install science/fleur
- pkg install fleur
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: fleur
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1731097464
SHA256 (fleur-fleur-447eed3b7ec3de5fcdfbd232cd1eda4caefb51d3_GL0.tar.gz) = d80a18d47319208f9ee3cef7c090203e35378a1988caf4414560622fa30a93e8
SIZE (fleur-fleur-447eed3b7ec3de5fcdfbd232cd1eda4caefb51d3_GL0.tar.gz) = 36659487
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:
-
- cmake : devel/cmake-core
- gfortran13 : lang/gcc13
- as : devel/binutils
- Test dependencies:
-
- py311-pytest>0 : devel/py-pytest@py311
- python3.11 : lang/python311
- Runtime dependencies:
-
- gfortran13 : lang/gcc13
- Library dependencies:
-
- libfftw3.so : math/fftw3
- libhdf5.so : science/hdf5
- liblapack.so : math/lapack
- libopenblas.so : math/openblas
- libelpa.so : math/elpa
- libmpich.so : net/mpich
- libscalapack.so : math/scalapack
- libwannier.so : science/wannier90
- libxml2.so : textproc/libxml2
- There are no ports dependent upon this port
Configuration Options:
- ===> The following configuration options are available for fleur-7.2:
ELPA=on: Use libelpa, Eigenvalue SoLver for Petaflop Applications
HDF5=off: HDF-5 data format support
KPLIB=off: Use kpLib library
LIBXC=off: Use libxc library
MPI=on: MPI (Message Passing Interface) support
SCALAPACK=on: Use the ScaLAPACK Scalable LAPACK library
WANNIER=on: Use Wannier library
===> Use 'make config' to modify these settings
- Options name:
- science_fleur
- USES:
- cmake:noninja fortran gnome localbase:ldflags python:test tar:tgz
- 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 |
7.2 08 Nov 2024 21:40:35 |
Yuri Victorovich (yuri) |
science/fleur: update 6.2 → 7.2 |
6.2_4 21 Jun 2024 17:49:24 |
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade to OpenBLAS |
6.2_3 01 Jan 2024 11:49:51 |
Thierry Thomas (thierry) |
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0
PR: 275860 |
6.2_2 12 Dec 2023 19:03:50 |
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade of OpenBLAS
PR: 273219 |
6.2_1 10 Dec 2023 10:23:11 |
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade of MPICH to 4.1.2 |
6.2 26 Jul 2023 03:38:10 |
Yuri Victorovich (yuri) |
science/fleur: Update 6.0-20220715 → 6.2 |
6.0.20220715_2 12 Jul 2023 18:56:04 |
Felix Palmen (zirias) |
bsd.sites.mk: Update all ports using USE_GITLAB
Replace GL_COMMIT by GL_TAGNAME in all ports. The new GL_TAGNAME is
backwards-compatible (accepting any commit hash as before), but also
understands an actual tag name. Moving to tag names where appropriate is
left to individual ports' maintainers.
Approved by: portmgr (tcberner, mentor)
Differential Revision: https://reviews.freebsd.org/D37077 |
6.0.20220715_2 23 Apr 2023 09:09:58 |
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
6.0.20220715_1 01 Dec 2022 18:42:20 |
Yuri Victorovich (yuri) |
*/*: Change DISTVERSION to have a hyphen when it refers to a specific revision
When DISTVERSION contains the real version and a revision modifier,
such modifier should be separated with '-', not '.' |
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) |
6.0.20220715_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 ) |
6.0.20220715_1 20 Jul 2022 14:35:24 |
Tobias C. Berner (tcberner) |
science/hdf5: bump PORTREVISION of consumers
The SO-version increased in the update to 1.12.2 in
a43418b81530f7e897abfbe18dd59f44265a1a0f .
Reported by: VVD <vvd@unislabs.com> |
6.0.20220715 17 Jul 2022 08:23:31 |
Yuri Victorovich (yuri) |
science/fleur: Update 5.1.20220103 -> 6.0.20220715 |
5.1.20220103_2 10 Apr 2022 19:11:41 |
Charlie Li (vishwin) |
textproc/libxml2: bump all LIB_DEPENDS consumers
This is a separate commit to facilitate easier cherry-picking for
quarterly.
PR: 262853, 262940, 262877, 263126
Approved by: fluffy (mentor) |
5.1.20220103_1 26 Mar 2022 08:27:27 |
Matthias Fechner (mfechner) |
textproc/libxml2: bump all dependencies
This should make sure that all dependent ports will pick
up the new version commited with a13ec21cd733f67a9fc0dc00ab45268bdc236246 |
5.1.20220103 20 Mar 2022 18:21:02 |
Yuri Victorovich (yuri) |
science/fleur: Broken on aarch64
Reported by: fallout |
5.1.20220103 05 Jan 2022 19:55:01 |
Yuri Victorovich (yuri) |
science/fleur: Fix typo in USES |
5.1.20220103 05 Jan 2022 09:40:35 |
Yuri Victorovich (yuri) |
science/fleur: Re-add port: FLAPW code for atomic computations in quantum
chemistry and physics |
0.27.3_9 27 Aug 2020 11:25:47 |
rene |
Remove expired ports:
2020-08-26 audio/timidity++-tcltk: Broken for more than 6 months
2020-08-26 biology/pbcopper: Broken for more than 6 months
2020-08-26 devel/ace: Broken for more than 6 months
2020-08-26 devel/bin86: Broken for more than 6 months
2020-08-26 devel/erlang-oserl: Broken for more than 6 months
2020-08-20 emulators/qemu40: Please consider using qemu or qemu41
2020-08-26 games/linux-darwinia-demo: Broken for more than 6 months
2020-08-26 games/linux-defcon: Broken for more than 6 months
2020-08-26 games/linux-uplink-demo: Broken for more than 6 months
2020-08-26 games/xevil: Broken for more than 6 months
2020-08-26 games/xminesweep: Broken for more than 6 months
2020-08-26 graphics/backfract: Broken for more than 6 months
2020-08-26 japanese/kanjipad: Broken for more than 6 months (Only the first 15 lines of the commit message are shown above ) |
0.27.3_9 26 Jul 2020 07:32:00 |
antoine |
Deprecate ports broken for more than 6 months |
0.27.3_9 06 May 2020 16:11:15 |
yuri |
Bump 46 ports depending on math/openblas because the after the recent
math/openblas update the library name changed in openblas. |
0.27.3_8 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 |
0.27.3_7 06 Jan 2020 12:57:03 |
adridg |
Update devel/cmake to latest upstream release, 3.16.2
This new release has support for the latest Boost, Objective-C
and various small improvements. The release notes are at:
https://cmake.org/cmake/help/v3.16/release/3.16.html
Two ports could not be persuaded to build with this new release
(math/openmesh science/fleur) and are marked BROKEN. Other build
fixes have already been done in-tree.
Thanks antoine@ for the exp-runs (multiple).
Thanks tcberner@ for prep-work (most of the work, actually).
PR: 242254 |
0.27.3_7 06 Oct 2019 08:37:07 |
tobik |
science/fleur: Spell HDF5_CMAKE_ON correctly
Untested since the option is marked as broken. |
0.27.3_7 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 |
0.27.3_6 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 |
0.27.3_5 05 Jan 2019 22:46:54 |
sunpoet |
Update science/hdf5 to 1.10.4
- Bump PORTREVISION of dependent ports for shlib change
Changes: https://portal.hdfgroup.org/display/support/HDF5%201.10.4#releasenotes
PR: 233070
Submitted by: wen |
0.27.3_4 25 Dec 2018 20:25:40 |
tcberner |
Change cmake default behaviour to outsource.
Ports that build out of source now simply can use "USES=cmake"
instead of "USES=cmake:outsource". Ports that fail to build
out of source now need to specify "USES=cmake:insource".
I tried to only set insource where explictely needed.
PR: 232038
Exp-run by: antoine |
0.27.3_4 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 |
0.27.3_3 22 Sep 2018 16:36:38 |
yuri |
Change 20 ports from net/mpich2 to net/mpich
mpich2 is the obsolete version 2.x, mpich is at the current version 3.x
Ports:
math/scalapack science/nwchem science/quantum-espresso science/qmcpack
science/madness
science/qbox science/openmx science/jdftx science/fleur science/libgridxc
science/mdynamix science/lm science/dftbplus science/py-gpaw devel/ga
math/elpa net/charm science/gromacs math/pari math/arpack-ng-mpich |
0.27.3_2 03 Sep 2018 07:35:04 |
yuri |
science/fleur: Add the forgotten patches. |
0.27.3_2 03 Sep 2018 04:10:18 |
yuri |
science/fleur: Add WANNIER option to use Wannier library |
0.27.3_1 03 Sep 2018 01:09:21 |
yuri |
science/fleur: Add port options for libraries: mpi, scalapack, elpa, hdf5 |
0.27.3 02 Sep 2018 21:10:30 |
yuri |
New port: science/fleur: FLAPW code for atomic computations in quantum chemistry
and physics |