science/fleur 8.1 FreeBSD
FLAPW code for atomic computations in quantum chemistry and physics
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
2d3f33bf5c- License
- MIT
- Categories
- science
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.
Install
Binary package:
pkg install fleurFrom the ports tree:
cd /usr/ports/science/fleur/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= fleur>0:science/fleurPackages
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 | - | 8.1 | - | 7.2_4 | - |
| FreeBSD:14:quarterly | - | 8.1 | n/a | 7.2_4 | - |
| FreeBSD:15:latest | - | 8.1 | n/a | 7.2_4 | 7.2_4 |
| FreeBSD:15:quarterly | - | 8.1 | n/a | n/a | n/a |
| FreeBSD:16:latest | - | 8.1 | 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.
Library 4
libfftw3.so: math/fftw3libhdf5.so: science/hdf5liblapack.so: math/lapacklibopenblas.so: math/openblas
Test 2
${PYTHON_PKGNAMEPREFIX}pytest>0: devel/py-pytest${PYTHON_PKGNAMEPREFIX}pytest-html>0: devel/py-pytest-html
The full lists below include those, and their dependencies in turn.
Build dependencies 36
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/cmake-core
- devel/gettext-runtime
- devel/hwloc2
- devel/json-c
- devel/jsoncpp
- devel/level-zero
- devel/libepoll-shim
- devel/libpciaccess
- devel/libunistring
- devel/libuv
- devel/readline
- dns/libidn2
- lang/gcc14
- lang/perl5.42
- math/blas
- math/elpa
- math/fftw3
- math/gmp
- math/lapack
- math/mpc
- math/mpfr
- math/openblas
- math/scalapack
- misc/hwdata
- net/libfabric
- net/mpich
- ports-mgmt/pkg
- print/indexinfo
- science/hdf5
- science/libaec
- security/rhash
- textproc/expat2
- textproc/libxml2
Run dependencies 27
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/hwloc2
- devel/json-c
- devel/level-zero
- devel/libepoll-shim
- devel/libpciaccess
- devel/readline
- lang/gcc14
- lang/perl5.42
- math/blas
- math/elpa
- math/fftw3
- math/gmp
- math/lapack
- math/mpc
- math/mpfr
- math/openblas
- math/scalapack
- misc/hwdata
- net/libfabric
- net/mpich
- print/indexinfo
- science/hdf5
- science/libaec
- textproc/libxml2
No port depends on this one.
Configuration
Options name: science_fleur
| Option | Default | Description |
|---|---|---|
| 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 |
- USES
- cmake:noninja fortran gnome localbase:ldflags python:test
- Service scripts
- none
Files
distinfo 2
| File | Size | SHA256 |
|---|---|---|
| fleur-8.1.tar.gz | 3.6142137e+07 | e800d11d63be68fd45a6a9568866536fd6ffb6d0cd734ce22917908ad9da6245 |
| wannier-developers-wannier90-v3.1.0_GH0.tar.gz | 1.01211573e+08 | 40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254 |
Master sites 1
- LOCAL/yuri