| Port details on branch 2022Q2 |
- latte Quantum chemistry: Density functional tight binding molecular dynamics
- 1.2.2_6 science
 =2      1.2.2_6Version 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, py311-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:
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