BSD Portsscience/py-dftbplus 25.1 FreeBSD
DFTB+: Package for performing fast atomistic simulations
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- License
- GPLv3
- Categories
- science
Description
DFTB+ is a fast and efficient versatile quantum mechanical simulation software package. Using DFTB+ you can carry out quantum mechanical simulations similar to density functional theory but in an approximate way, typically gaining around two orders of magnitude in speed.
DFTB+ can be used either as a standalone application or embeded it into other academic or commercial simulation packages as a library.
Install
Binary package:
pkg install py312-dftbplusFrom the ports tree:
cd /usr/ports/science/py-dftbplus/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= py312-dftbplus>0:science/py-dftbplusPackages
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 | - | 25.1 | - | - | - |
| FreeBSD:14:quarterly | - | 25.1 | n/a | - | - |
| FreeBSD:15:latest | - | 25.1 | n/a | - | - |
| FreeBSD:15:quarterly | - | 25.1 | n/a | n/a | n/a |
| FreeBSD:16:latest | - | 25.1 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
As this port's Makefile names them.
Build 1
${PYTHON_PKGNAMEPREFIX}hatchling>0: devel/py-hatchling
Runtime 1
dftbplus>0: science/dftbplus
The full lists below include those, and their dependencies in turn.
Build dependencies 24
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/gettext-runtime
- devel/libffi
- devel/py-build
- devel/py-hatchling
- devel/py-installer
- devel/py-packaging
- devel/py-pathspec
- devel/py-pluggy
- devel/py-pyproject-hooks
- devel/py-trove-classifiers
- devel/readline
- lang/gcc14
- lang/python312
- lang/python315
- math/gmp
- math/mpc
- math/mpdecimal
- math/mpfr
- print/indexinfo
- textproc/expat2
- textproc/py-tomlkit
Run dependencies 43
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/gettext-runtime
- devel/hwloc2
- devel/json-c
- devel/level-zero
- devel/libepoll-shim
- devel/libffi
- devel/libpciaccess
- devel/readline
- lang/gcc14
- lang/perl5.42
- lang/python312
- math/blas
- math/fftw3
- math/gmp
- math/gsl
- math/lapack
- math/mpc
- math/mpdecimal
- math/mpfr
- math/openblas
- math/py-numpy
- math/scalapack
- math/scalapackfx
- misc/hwdata
- net/libfabric
- net/mpich
- net/mpifx
- print/indexinfo
- science/chimes-calculator
- science/dftbplus
- science/libmbd
- science/libnegf
- science/mctc-lib
- science/mstore
- science/plumed
- science/simple-dftd3
- shells/bash
- textproc/expat2
- textproc/libxml2
- textproc/toml-f
No port depends on this one.
Configuration
No options to configure.
- USES
- compiler:gcc-c++11-lib fortran python shebangfix
- Service scripts
- none
Files
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| dftbplus-dftbplus-25.1_GH0.tar.gz | 6.342865e+06 | 136088ffc8a3b27adca0cee46272966de62f2c42de91b632597fb12bf13c8d38 |
Commit history 0
No commits in the history this site was built from.