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Port details
fleur FLAPW code for atomic computations in quantum chemistry and physics
6.2_3 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 6.2_2Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-09-02 21:10:54
Last Update: 2024-01-01 11:49:51
Commit Hash: f2489ab
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.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (5 items)
Collapse this list.
  1. bin/fleur_MPI
  2. bin/inpgen
  3. /usr/local/share/licenses/fleur-6.2_3/catalog.mk
  4. /usr/local/share/licenses/fleur-6.2_3/LICENSE
  5. /usr/local/share/licenses/fleur-6.2_3/MIT
Collapse this list.
Dependency lines:
  • fleur>0:science/fleur
Conflicts:
CONFLICTS_BUILD:
  • libxc
Conflicts Matches:
There are no Conflicts Matches for this port. This is usually an error.
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 = 1690334658 SHA256 (fleur-fleur-a9f84b504efcb04c6d5bd2f59b6b1a0f9eb6e831_GL0.tar.gz) = ff0898becbb5333471b20770ac22a0f3a7b3ccc2fc8c5746222519db991e9a07 SIZE (fleur-fleur-a9f84b504efcb04c6d5bd2f59b6b1a0f9eb6e831_GL0.tar.gz) = 50969349

Packages (timestamps in pop-ups are UTC):
fleur
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-6.2_3------
FreeBSD:13:quarterly-6.2_3------
FreeBSD:14:latest-6.2_3------
FreeBSD:14:quarterly-6.2_3------
FreeBSD:15:latest-6.2_3n/a-n/a---
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake-core
  2. gfortran12 : lang/gcc12
  3. as : devel/binutils
Test dependencies:
  1. py39-pytest>0 : devel/py-pytest@py39
  2. python3.9 : lang/python39
Runtime dependencies:
  1. gfortran12 : lang/gcc12
Library dependencies:
  1. libfftw3.so : math/fftw3
  2. libhdf5.so : science/hdf5
  3. liblapack.so : math/lapack
  4. libopenblas.so : math/openblas
  5. libelpa.so : math/elpa
  6. libmpich.so : net/mpich
  7. libscalapack.so : math/scalapack
  8. libwannier.so : science/wannier90
  9. libxml2.so : textproc/libxml2
There are no ports dependent upon this port

Configuration Options:
===> The following configuration options are available for fleur-6.2_3: 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:
Expand this list (1 items)
Collapse this list.
  1. https://iffgit.fz-juelich.de/fleur/fleur/-/archive/a9f84b504efcb04c6d5bd2f59b6b1a0f9eb6e831.tar.gz?dummy=/
Collapse this list.

Number of commits found: 32

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
6.2_3
01 Jan 2024 11:49:51
commit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfd files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0

PR:		275860
6.2_2
12 Dec 2023 19:03:50
commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0 files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: bump PORTREVISION after the upgrade of OpenBLAS

PR:		273219
6.2_1
10 Dec 2023 10:23:11
commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9 files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: bump PORTREVISION after the upgrade of MPICH to 4.1.2
6.2
26 Jul 2023 03:38:10
commit hash: bbdd52af8ef19b019452d064bc5c96310efb6efdcommit hash: bbdd52af8ef19b019452d064bc5c96310efb6efdcommit hash: bbdd52af8ef19b019452d064bc5c96310efb6efdcommit hash: bbdd52af8ef19b019452d064bc5c96310efb6efd files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/fleur: Update 6.0-20220715 → 6.2
6.0.20220715_2
12 Jul 2023 18:56:04
commit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986ccommit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986ccommit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986ccommit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986c files touched by this commit
Felix Palmen (zirias) search for other commits by this committer
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
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit
Gerald Pfeifer (gerald) search for other commits by this committer
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
6.0.20220715_1
01 Dec 2022 18:42:20
commit hash: 749db82df5fdb9d46e46af81bb610548ffc8bb4acommit hash: 749db82df5fdb9d46e46af81bb610548ffc8bb4acommit hash: 749db82df5fdb9d46e46af81bb610548ffc8bb4acommit hash: 749db82df5fdb9d46e46af81bb610548ffc8bb4a files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
*/*: 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
commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
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
commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
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 View all of this commit message)
6.0.20220715_1
20 Jul 2022 14:35:24
commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35 files touched by this commit
Tobias C. Berner (tcberner) search for other commits by this committer
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
commit hash: 659b363813e0a0f926e3b608394ed95333bd0f29commit hash: 659b363813e0a0f926e3b608394ed95333bd0f29commit hash: 659b363813e0a0f926e3b608394ed95333bd0f29commit hash: 659b363813e0a0f926e3b608394ed95333bd0f29 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/fleur: Update 5.1.20220103 -> 6.0.20220715
5.1.20220103_2
10 Apr 2022 19:11:41
commit hash: d63665f7cd9c99880704a3c5bc221829cb009744commit hash: d63665f7cd9c99880704a3c5bc221829cb009744commit hash: d63665f7cd9c99880704a3c5bc221829cb009744commit hash: d63665f7cd9c99880704a3c5bc221829cb009744 files touched by this commit
Charlie Li (vishwin) search for other commits by this committer
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
commit hash: 247c7db7513f1264922428278678da641c5a3f52commit hash: 247c7db7513f1264922428278678da641c5a3f52commit hash: 247c7db7513f1264922428278678da641c5a3f52commit hash: 247c7db7513f1264922428278678da641c5a3f52 files touched by this commit
Matthias Fechner (mfechner) search for other commits by this committer
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
commit hash: 9cf0678bfcc7476516adca6bb45a13631d0214d1commit hash: 9cf0678bfcc7476516adca6bb45a13631d0214d1commit hash: 9cf0678bfcc7476516adca6bb45a13631d0214d1commit hash: 9cf0678bfcc7476516adca6bb45a13631d0214d1 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/fleur: Broken on aarch64

Reported by:	fallout
5.1.20220103
05 Jan 2022 19:55:01
commit hash: 833727759939e4552779cd10806013884e3ca9b4commit hash: 833727759939e4552779cd10806013884e3ca9b4commit hash: 833727759939e4552779cd10806013884e3ca9b4commit hash: 833727759939e4552779cd10806013884e3ca9b4 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/fleur: Fix typo in USES
5.1.20220103
05 Jan 2022 09:40:35
commit hash: 9ff296b7c547ab41f0934830d13d0c174ee2701bcommit hash: 9ff296b7c547ab41f0934830d13d0c174ee2701bcommit hash: 9ff296b7c547ab41f0934830d13d0c174ee2701bcommit hash: 9ff296b7c547ab41f0934830d13d0c174ee2701b files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
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
Revision:546333Original commit files touched by this commit
rene search for other commits by this committer
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 View all of this commit message)
0.27.3_9
26 Jul 2020 07:32:00
Revision:543440Original commit files touched by this commit
antoine search for other commits by this committer
Deprecate ports broken for more than 6 months
0.27.3_9
06 May 2020 16:11:15
Revision:534185Original commit files touched by this commit
yuri search for other commits by this committer
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
Revision:524642Original commit files touched by this commit
swills search for other commits by this committer
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
Revision:522222Original commit files touched by this commit
adridg search for other commits by this committer
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
Revision:513877Original commit files touched by this commit
tobik search for other commits by this committer
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
Revision:507372Original commit files touched by this commit
gerald search for other commits by this committer
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
Revision:499638Original commit files touched by this commit
gerald search for other commits by this committer
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
Revision:489412Original commit files touched by this commit
sunpoet search for other commits by this committer
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
Revision:488341Original commit files touched by this commit
tcberner search for other commits by this committer
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
Revision:487272Original commit files touched by this commit
gerald search for other commits by this committer
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
Revision:480395Original commit files touched by this commit
yuri search for other commits by this committer
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
Revision:478847Original commit files touched by this commit
yuri search for other commits by this committer
science/fleur: Add the forgotten patches.
0.27.3_2
03 Sep 2018 04:10:18
Revision:478842Original commit files touched by this commit
yuri search for other commits by this committer
science/fleur: Add WANNIER option to use Wannier library
0.27.3_1
03 Sep 2018 01:09:21
Revision:478838Original commit files touched by this commit
yuri search for other commits by this committer
science/fleur: Add port options for libraries: mpi, scalapack, elpa, hdf5
0.27.3
02 Sep 2018 21:10:30
Revision:478820Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/fleur: FLAPW code for atomic computations in quantum chemistry
and physics

Number of commits found: 32