BSD Portsscience/octopus 16.4_1 FreeBSD
Scientific program aimed at the ab initio virtual experimentation
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
b670c57cd6- License
- GPLv2
- Categories
- science
Description
Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.
For optimal execution performance Octopus is parallelized using MPI and OpenMP and can scale to tens of thousands of processors. It also has support for graphical processing units (GPUs) through OpenCL and CUDA.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/octopus | 16.4_1 |
| GhostBSD | science/octopus | 16.3 |
Install
Binary package:
pkg install octopusFrom the ports tree:
cd /usr/ports/science/octopus/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= octopus>0:science/octopus
LIB_DEPENDS= liboct.so:science/octopusPackages
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 | - | 16.4_1 | - | - | 16.4_1 |
| FreeBSD:14:quarterly | - | 16.4 | n/a | - | 16.4 |
| FreeBSD:15:latest | - | 16.4_1 | n/a | - | - |
| FreeBSD:15:quarterly | - | 16.4 | n/a | n/a | n/a |
| FreeBSD:16:latest | - | 16.4_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
bash: shells/bash
Library 18
libarpack.so: math/arpack-nglibblas.so: math/blaslibfftw3.so: math/fftw3libfontconfig.so: x11-fonts/fontconfiglibfreetype.so: print/freetype2libgd.so: graphics/gdlibgmp.so: math/gmplibgsl.so: math/gslliblapack.so: math/lapacklibmpfr.so: math/mpfrlibnlopt.so: math/nloptlibpng.so: graphics/pnglibsymspg.so: science/spgliblibtiff.so: graphics/tifflibvdwxcfort.so: science/libvdwxclibwebp.so: graphics/webplibxc.so: science/libxclibyaml.so: textproc/libyaml
The full lists below include those, and their dependencies in turn.
Build dependencies 52
- archivers/brotli
- archivers/libdeflate
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/gettext-runtime
- devel/gmake
- devel/hwloc2
- devel/level-zero
- devel/libevent
- devel/libffi
- devel/libltdl
- devel/libpciaccess
- devel/pkgconf
- devel/readline
- graphics/gd
- graphics/giflib
- graphics/jbigkit
- graphics/jpeg-turbo
- graphics/lerc
- graphics/png
- graphics/tiff
- graphics/webp
- lang/gcc14
- lang/perl5.42
- lang/python312
- math/arpack-ng
- math/blas
- math/fftw3
- math/gmp
- math/gsl
- math/lapack
- math/mpc
- math/mpdecimal
- math/mpfr
- math/nlopt
- math/openblas
- misc/hwdata
- net/openmpi4
- print/freetype2
- print/indexinfo
- science/libvdwxc
- science/libxc
- science/spglib
- security/libgcrypt
- security/libgpg-error
- security/munge
- shells/bash
- textproc/expat2
- textproc/libxml2
- textproc/libyaml
- x11-fonts/fontconfig
Run dependencies 49
- archivers/brotli
- archivers/libdeflate
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/gettext-runtime
- devel/hwloc2
- devel/level-zero
- devel/libevent
- devel/libffi
- devel/libltdl
- devel/libpciaccess
- devel/readline
- graphics/gd
- graphics/giflib
- graphics/jbigkit
- graphics/jpeg-turbo
- graphics/lerc
- graphics/png
- graphics/tiff
- graphics/webp
- lang/gcc14
- lang/perl5.42
- lang/python312
- math/arpack-ng
- math/blas
- math/fftw3
- math/gmp
- math/gsl
- math/lapack
- math/mpc
- math/mpdecimal
- math/mpfr
- math/nlopt
- math/openblas
- misc/hwdata
- net/openmpi4
- print/freetype2
- print/indexinfo
- science/libvdwxc
- science/libxc
- science/spglib
- security/libgcrypt
- security/libgpg-error
- security/munge
- textproc/expat2
- textproc/libxml2
- textproc/libyaml
- x11-fonts/fontconfig
No port depends on this one.
Configuration
Options name: science_octopus
| Option | Default | Description |
|---|---|---|
| OPENMP | on | Parallel processing support via OpenMP |
- USES
- compiler:c++14-lang fortran gmake jpeg libtool localbase:ldflags perl5 pkgconfig python shebangfix
- Service scripts
- none
Files
Manual pages 12
- oct-atomic_occupations(1)
- oct-casida_spectrum(1)
- oct-center-geom(1)
- oct-display_partitions(1)
- oct-harmonic-spectrum(1)
- oct-propagation_spectrum(1)
- oct-run_periodic_table(1)
- oct-run_regression_test.pl(1)
- oct-run_testsuite.sh(1)
- oct-vibrational_spectrum(1)
- oct-xyz-anim(1)
- octopus(1)
pkg-plist 2328
- bin/create_combinations.py
- bin/oct-analyze_projections
- bin/oct-atomic_occupations
- bin/oct-casida_spectrum
- bin/oct-center-geom
- bin/oct-check_deallocs
- bin/oct-conductivity
- bin/oct-convert
- bin/oct-dielectric-function
- bin/oct-display_partitions
- bin/oct-floquet
- bin/oct-harmonic-spectrum
- bin/oct-help
- bin/oct-infrared_spectrum
- bin/oct-local_multipoles
- bin/oct-oscillator-strength
- bin/oct-photoelectron_spectrum
- bin/oct-propagation_spectrum
- bin/oct-run_performance_testsuite.sh
- bin/oct-run_periodic_table
- bin/oct-run_regression_test.pl
- bin/oct-run_testsuite.sh
- bin/oct-spin_susceptibility
- bin/oct-tdtdm
- bin/oct-unfold
- bin/oct-vdW_c6
- bin/oct-vibrational_spectrum
- bin/oct-wannier90
- bin/oct-xyz-anim
- bin/octopus
- include/liboct_parser.h
- include/string_f.h
- lib/liboct.so
- lib/liboct.so.0
- lib/liboct.so.0.0.0
- lib/liboct_parser.so
- lib/liboct_parser.so.0
- lib/liboct_parser.so.0.0.0
- share/man/man1/oct-atomic_occupations.1.gz
- share/man/man1/oct-casida_spectrum.1.gz
- share/man/man1/oct-center-geom.1.gz
- share/man/man1/oct-display_partitions.1.gz
- share/man/man1/oct-harmonic-spectrum.1.gz
- share/man/man1/oct-propagation_spectrum.1.gz
- share/man/man1/oct-run_periodic_table.1.gz
- share/man/man1/oct-run_regression_test.pl.1.gz
- share/man/man1/oct-run_testsuite.sh.1.gz
- share/man/man1/oct-vibrational_spectrum.1.gz
- share/man/man1/oct-xyz-anim.1.gz
- share/man/man1/octopus.1.gz
- share/octopus/dftd3/pars.dat
- share/octopus/doc/vars/Atomic_Orbitals.html
- share/octopus/doc/vars/Calculation_Modes.html
- share/octopus/doc/vars/ClassicalParticles.html
- share/octopus/doc/vars/DFTBPlusInterface.html
- share/octopus/doc/vars/Execution.html
- share/octopus/doc/vars/Hamiltonian.html
- share/octopus/doc/vars/Linear_Response.html
- share/octopus/doc/vars/Math.html
- share/octopus/doc/vars/Maxwell.html
- share/octopus/doc/vars/Mesh.html
- share/octopus/doc/vars/Output.html
- share/octopus/doc/vars/SCF.html
- share/octopus/doc/vars/States.html
- share/octopus/doc/vars/System.html
- share/octopus/doc/vars/Time-Dependent.html
- share/octopus/doc/vars/Utilities.html
- share/octopus/doc/vars/alpha.js
- share/octopus/doc/vars/ftiens4.js
- share/octopus/doc/vars/ftv2blank.gif
- share/octopus/doc/vars/ftv2doc.gif
- share/octopus/doc/vars/ftv2folderclosed.gif
- share/octopus/doc/vars/ftv2folderopen.gif
- share/octopus/doc/vars/ftv2lastnode.gif
- share/octopus/doc/vars/ftv2link.gif
- share/octopus/doc/vars/ftv2mlastnode.gif
- share/octopus/doc/vars/ftv2mnode.gif
- share/octopus/doc/vars/ftv2node.gif
- share/octopus/doc/vars/ftv2plastnode.gif
- share/octopus/doc/vars/ftv2pnode.gif
- share/octopus/doc/vars/ftv2vertline.gif
- share/octopus/doc/vars/sections.js
- share/octopus/doc/vars/ua.js
- share/octopus/doc/vars/vars.php
- share/octopus/doc/vars/varsLeftFrame.php
- share/octopus/doc/vars/varsRightFrame.html
- share/octopus/doc/vars/vars_index.html
- share/octopus/filter_mask.data
- share/octopus/gdlib.png
- share/octopus/gequad.data
- share/octopus/logo
- share/octopus/opencl/axpy.cl
- share/octopus/opencl/boundaries.cl
- share/octopus/opencl/cl_complex.h
- share/octopus/opencl/cl_global.h
- share/octopus/opencl/cl_reduce.h
- share/octopus/opencl/cl_rtype.h
- share/octopus/opencl/convert.cl
- share/octopus/opencl/copy.cl
- share/octopus/opencl/cuda_compat.h
The first 100 are listed.
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| octopus-16.4.tar.gz | 4.9626107e+07 | 5d106c401681a6379ec3c8180fd3d3369995c403945004c8e60da6794d7561cd |
Master sites 1
- https://octopus-code.org/download/16.4/