BSD Portsscience/latte 1.2.2_8 FreeBSD
Quantum chemistry: Density functional tight binding molecular dynamics
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- License
- GPLv3
- Categories
- science
- Package size
- 412.4 KiB, 1059.6 KiB installed
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.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/latte | 1.2.2_8 |
| DragonFly | science/latte | 1.2.2_6 |
| GhostBSD | science/latte | 1.2.2_8 |
Install
Binary package:
pkg install latteFrom the ports tree:
cd /usr/ports/science/latte/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= latte>0:science/latte
LIB_DEPENDS= liblatte.so:science/lattePackages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | aarch64 | amd64 | armv6 | armv7 | i386 |
|---|---|---|---|---|---|
| FreeBSD:14:latest | 1.2.2_8 | 1.2.2_8 | - | 1.2.2_6 | 1.2.2_8 |
| FreeBSD:14:quarterly | 1.2.2_8 | 1.2.2_8 | n/a | 1.2.2_6 | 1.2.2_8 |
| FreeBSD:15:latest | 1.2.2_8 | 1.2.2_8 | n/a | 1.2.2_6 | 1.2.2_6 |
| FreeBSD:15:quarterly | 1.2.2_8 | 1.2.2_8 | n/a | n/a | n/a |
| FreeBSD:16:latest | 1.2.2_8 | 1.2.2_8 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
The Makefile names none itself; they come from USES and USE_*.
The full lists below include those, and their dependencies in turn.
Build dependencies 30
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/cmake-core
- devel/gettext-runtime
- devel/hwloc2
- devel/jsoncpp
- devel/level-zero
- devel/libevent
- devel/libltdl
- devel/libpciaccess
- devel/libunistring
- devel/libuv
- devel/readline
- dns/libidn2
- lang/gcc14
- math/gmp
- math/mpc
- math/mpfr
- math/openblas
- misc/hwdata
- net/openmpi4
- ports-mgmt/pkg
- print/indexinfo
- security/libgcrypt
- security/libgpg-error
- security/munge
- security/rhash
- textproc/expat2
- textproc/libxml2
Run dependencies 22
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/gettext-runtime
- devel/hwloc2
- devel/level-zero
- devel/libevent
- devel/libltdl
- devel/libpciaccess
- devel/readline
- lang/gcc14
- math/gmp
- math/mpc
- math/mpfr
- math/openblas
- misc/hwdata
- net/openmpi4
- print/indexinfo
- security/libgcrypt
- security/libgpg-error
- security/munge
- textproc/libxml2
No port depends on this one.
Configuration
Options name: science_latte
| Option | Default | Description |
|---|---|---|
| DBCSR | off | Use distributed block compressed sparse row matrix library |
| MPI | on | MPI (Message Passing Interface) support |
| OPENMP | on | Parallel processing support via OpenMP |
- USES
- blaslapack:openblas cmake:noninja fortran shebangfix
- Service scripts
- none
- Conflicts with
- latte-integrale
Files
pkg-plist 5
- lib/cmake/LATTE/LATTEConfig.cmake
- lib/cmake/LATTE/LATTEConfigVersion.cmake
- lib/cmake/LATTE/LATTE_Targets-.cmake
- lib/cmake/LATTE/LATTE_Targets.cmake
- lib/liblatte.so
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| lanl-LATTE-v1.2.2_GH0.tar.gz | 6.692423e+06 | b54d62676a4a9355f5698823b86866640afd707137dfbdcfbf8832ffc75b9b35 |
Commit history 0
No commits in the history this site was built from.