BSD Portsscience/elk 11.2.3 FreeBSD
All-electron full-potential linearised augmented-planewave code
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
ec0f9b70ec- License
- GPLv3
- Categories
- science
- Package size
- 3143.9 KiB, 4855.4 KiB installed
Description
An all-electron full-potential linearised augmented-plane wave (LAPW) code with many advanced features. Written originally at Karl-Franzens-Universitat Graz as a milestone of the EXCITING EU Research and Training Network, the code is designed to be as simple as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/elk | 11.2.3 |
| DragonFly | science/elk | 10.3.12_2 |
Install
Binary package:
pkg install elk-chemistryFrom the ports tree:
cd /usr/ports/science/elk/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= elk-chemistry>0:science/elkPackages
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 | 11.2.3 | 11.2.3 | - | 10.3.12_3 | 11.2.3 |
| FreeBSD:14:quarterly | 11.2.3 | 11.2.3 | n/a | 10.3.12_2 | 11.2.3 |
| FreeBSD:15:latest | 11.2.3 | 11.2.3 | n/a | 10.3.12_3 | 10.3.12_3 |
| FreeBSD:15:quarterly | 11.2.3 | 11.2.3 | n/a | n/a | n/a |
| FreeBSD:16:latest | 11.2.3 | 11.2.3 | 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 8
libblas.so: math/blaslibblis.so: math/blislibfftw3.so: math/fftw3libfftw3f.so: math/fftw3-floatliblapack.so: math/lapacklibopenblas.so: math/openblaslibwannier90.so: science/wannier90libxc.so: science/libxc
The full lists below include those, and their dependencies in turn.
Build dependencies 33
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/gettext-runtime
- devel/gmake
- 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/blis
- math/fftw3
- math/fftw3-float
- math/gmp
- math/lapack
- math/mpc
- math/mpdecimal
- math/mpfr
- math/openblas
- misc/hwdata
- net/libfabric
- net/mpich
- print/indexinfo
- science/libxc
- science/wannier90
- textproc/expat2
- textproc/libxml2
Run dependencies 32
- 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/blis
- math/fftw3
- math/fftw3-float
- math/gmp
- math/lapack
- math/mpc
- math/mpdecimal
- math/mpfr
- math/openblas
- misc/hwdata
- net/libfabric
- net/mpich
- print/indexinfo
- science/libxc
- science/wannier90
- textproc/expat2
- textproc/libxml2
No port depends on this one.
Configuration
Options name: science_elk
| Option | Default | Description |
|---|---|---|
| DOCS | off | Build and/or install documentation |
| EXAMPLES | off | Build and/or install examples |
| MPICH | on | Parallel processing support via MPICH |
| NATIVE | off | Use native optimization (-march=native) |
| OPENMP | on | Parallel processing support via OpenMP |
| OPENMPI | off | Parallel processing support via Open MPI |
- USES
- fortran gmake tar:tgz
- Service scripts
- none
Files
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| elk-chemistry/elk-11.2.3.tgz | 2.953381e+06 | 7bd2c32d59ac6b2e6a1d605e6800f45fe0c505e3263e1f90fa2463c7c972421b |
Master sites 1
- SF/elk