Port details |
- latte Quantum chemistry: Density functional tight binding molecular dynamics
- 1.2.2_6 science =2 1.2.2_5Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2018-10-31 23:08:04
- 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: GPLv3
- WWW:
- https://github.com/lanl/LATTE
- Description:
- A molecular dynamics package based around self-consistent-charge density
functional tight binding theory.
Features:
* Forces computed at the SCC-DFTB level.
* Provides forces and the potential component of the total energy.
* Integrates the electronic degrees of freedom (XL) (provides charges).
* Solves the electronic structure of the system.
* Several solvers such as SP2, Truncated SP2, Chebyshev polynomial
expansion, etc.
- ¦ ¦ ¦ ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- Conflicts:
- CONFLICTS_INSTALL:
- To install the port:
- cd /usr/ports/science/latte/ && make install clean
- To add the package, run one of these commands:
- pkg install science/latte
- pkg install latte
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: latte
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1588782384
SHA256 (lanl-LATTE-v1.2.2_GH0.tar.gz) = b54d62676a4a9355f5698823b86866640afd707137dfbdcfbf8832ffc75b9b35
SIZE (lanl-LATTE-v1.2.2_GH0.tar.gz) = 6692423
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
- Runtime dependencies:
-
- gfortran13 : lang/gcc13
- Library dependencies:
-
- libmpi_cxx.so : net/openmpi4
- libopenblas.so : math/openblas
- This port is required by:
- for Libraries
-
- science/lammps
Configuration Options:
- ===> The following configuration options are available for latte-1.2.2_6:
DBCSR=off: Use distributed block compressed sparse row matrix library
MPI=on: MPI (Message Passing Interface) support
OPENMP=on: Parallel processing support via OpenMP
===> Use 'make config' to modify these settings
- Options name:
- science_latte
- USES:
- blaslapack:openblas cmake:noninja fortran 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 |
1.2.2_6 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 |
1.2.2_5 21 Jun 2024 17:49:24 |
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade to OpenBLAS |
1.2.2_4 18 Feb 2024 09:29:31 |
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after OpenMPI upgrade |
1.2.2_3 18 Feb 2024 09:22:35 |
Thierry Thomas (thierry) |
*/*: fix the dependency to net/openmpi4
For ports without USES=mpi:openmpi. For the others, it will be set
automatically. |
1.2.2_3 12 Dec 2023 19:03:50 |
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade of OpenBLAS
PR: 273219 |
1.2.2_2 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) |
1.2.2_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 ) |
1.2.2_1 02 Sep 2022 15:31:20 |
Yuri Victorovich (yuri) |
math/dbcsr: Update 2.3.0 -> 2.4.1
Reported by: portscout |
1.2.2 07 Apr 2021 08:09:01 |
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
1.2.2 06 Apr 2021 14:31:07 |
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
1.2.2 08 Dec 2020 09:30:36 |
antoine |
Do not include bsd.port.mk twice |
1.2.2 17 Nov 2020 22:34:27 |
linimon |
Add workaround for new failure with Fortran GCC 10 frontend:
Type mismatch between actual argument at (1) and actual argument at (2)
(COMPLEX(8)/REAL(8)).
PR: 246700
Approved by: maintainer |
1.2.2 07 May 2020 01:02:37 |
yuri |
science/latte: Update 1.2.1 -> 1.2.2
Reported by: portscout |
1.2.1_8 19 Apr 2020 09:49:02 |
danilo |
- Update net/openmpi to 4.0.3 (openmpi 1 is deprecated)
- Remove option for net/openmpi2 from science/pnetcdf (net/openmpi2 is
deprecated and will be removed)
- Fix science/gromacs plist when MPI option is enabled
- Bump PORTREVISION for all the consumers of net/openmpi |
1.2.1_7 08 Mar 2020 21:56:37 |
jbeich |
Drop dependency on devel/openmp
- Drop if devel/llvm* was used as a substitute
Approved by: yuri, rene (earlier version)
Differential Revision: https://reviews.freebsd.org/D23020 |
1.2.1_6 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 |
1.2.1_5 21 Sep 2019 18:59:57 |
jbeich |
devel/openmp: update to 9.0.0
- Connect tests to the framework to help QA remaining patches
- Force rebuild all consumers after https://reviews.llvm.org/D59783
Changes: http://llvm.org/viewvc/llvm-project/openmp/tags/RELEASE_900/final/?view=log
ABI: https://abi-laboratory.pro/tracker/timeline/llvm_openmp/ |
1.2.1_4 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 |
1.2.1_3 08 May 2019 16:05:53 |
jbeich |
devel/openmp: phase out
- Expire after the last version without /usr/lib/libomp.so
- Drop SOVERSION for seamless transition (i.e., avoid conditionals)
PR: 236907
Approved by: bapt (maintainer)
Differential Revision: https://reviews.freebsd.org/D19767 |
1.2.1_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 |
1.2.1_1 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 |
1.2.1_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 |
1.2.1 06 Dec 2018 05:57:36 |
yuri |
New port: math/latte-integrale: Software for counting lattice points/integration
over convex polytopes |
1.2.1 31 Oct 2018 23:05:37 |
yuri |
New port: science/latte: Quantum chemistry: Density functional tight binding
molecular dynamics |