BSD Portsscience/ocean 3.1.0_5 FreeBSD
BSE code for core spectroscopy
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- License
- BSD3CLAUSE
- Categories
- science
Description
OCEAN is BSE code for core spectroscopy.
OCEAN is a code for calculating near-edge x-ray spectra using the Bethe-Salpeter equation (BSE) is briefly reviewed. The code is capable of calculating UV/Vis, near-edge x-ray absorption or non-resonant scattering, and resonant inelastic x-ray scattering, requiring only the structure of the material as input. Improved default behavior and reduced input requirements are detailed as well as new capabilities, such as incorporation of final-state-dependent broadening, finite-temperature dependence, and flexibility in the density-functional theory exchange-correlation potentials.
Install
Binary package:
pkg install ocean-spectroscopy-codeFrom the ports tree:
cd /usr/ports/science/ocean/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= ocean-spectroscopy-code>0:science/oceanPackages
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 | - | 3.1.0_5 | - | - | - |
| FreeBSD:14:quarterly | - | 3.1.0_5 | n/a | - | - |
| FreeBSD:15:latest | - | 3.1.0_5 | n/a | - | - |
| FreeBSD:15:quarterly | - | 3.1.0_5 | n/a | n/a | n/a |
| FreeBSD:16:latest | - | 3.1.0_5 | 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 2
libfftw3.so: math/fftw3libopenblas.so: math/openblas
Runtime 2
abinit>0: science/abinitquantum-espresso>0: science/quantum-espresso
The full lists below include those, and their dependencies in turn.
Build dependencies 25
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/gettext-runtime
- devel/gmake
- devel/hwloc2
- devel/level-zero
- devel/libevent
- devel/libltdl
- devel/libpciaccess
- devel/readline
- lang/gcc14
- lang/perl5.42
- math/fftw3
- math/gmp
- math/mpc
- math/mpfr
- math/openblas
- misc/hwdata
- net/openmpi4
- print/indexinfo
- security/libgcrypt
- security/libgpg-error
- security/munge
- textproc/libxml2
Run dependencies 54
- archivers/brotli
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/gettext-runtime
- devel/hwloc2
- devel/json-c
- devel/level-zero
- devel/libepoll-shim
- devel/libevent
- devel/libffi
- devel/libltdl
- devel/libpciaccess
- devel/libunistring
- devel/pkgconf
- devel/readline
- dns/libidn2
- dns/libpsl
- ftp/curl
- lang/gcc14
- lang/perl5.42
- lang/python312
- math/blas
- math/elpa
- math/fftw3
- math/fftw3-float
- math/gmp
- math/lapack
- math/mpc
- math/mpdecimal
- math/mpfr
- math/openblas
- misc/hwdata
- net/libfabric
- net/mpich
- net/openmpi4
- print/indexinfo
- science/abinit
- science/atompaw
- science/hdf5
- science/libaec
- science/libxc
- science/netcdf
- science/netcdf-fortran
- science/quantum-espresso
- science/wannier90
- security/libgcrypt
- security/libgpg-error
- security/libssh2
- security/munge
- textproc/expat2
- textproc/libxml2
- textproc/xmlf90
- www/libnghttp2
No port depends on this one.
Configuration
Options name: science_ocean
| Option | Default | Description |
|---|---|---|
| MPICH | off | Parallel processing support via MPICH |
| OPENMPI | on | Parallel processing support via Open MPI |
- USES
- fortran gmake localbase perl5 shebangfix
- Service scripts
- none
Files
pkg-plist 143
- bin/ABIdriver.pl
- bin/AbinitDriver.pl
- bin/EvenQuadHalf.txt
- bin/OBF_screen_multi.pl
- bin/OBF_wfn.pl
- bin/OCEANcompare.pl
- bin/ONCVPSP-PBE-PDv0.4-standard.json
- bin/ONCVPSP-PBE-PDv0.4-stringent.json
- bin/ONCVPSP-PBEsol-PDv0.4-standard.json
- bin/ONCVPSP-PBEsol-PDv0.4-stringent.json
- bin/ONCVPSP-PW-PDv0.4-standard.json
- bin/ONCVPSP-PW-PDv0.4-stringent.json
- bin/Pquadrature
- bin/QEdriver.pl
- bin/avec.x
- bin/avg.x
- bin/builder.x
- bin/bvecs.pl
- bin/cainmultip.x
- bin/cks.x
- bin/cnbse.pl
- bin/cnbse_mpi.pl
- bin/conugtoux.x
- bin/core_shift.pl
- bin/defaults.h
- bin/defaults.pl
- bin/dendip.pl
- bin/dft.pl
- bin/dotter.x
- bin/dressximunu.x
- bin/edges.pl
- bin/eps2exc.x
- bin/exciton_plot.x
- bin/extractPsp.pl
- bin/fhi2eric.x
- bin/gauss16
- bin/getnval.x
- bin/gvecs2.pl
- bin/hfk.x
- bin/hqp
- bin/inputDatabase.pl
- bin/jdftx_dendip.pl
- bin/jdftx_density.x
- bin/jdftx_energy.x
- bin/kgen2.x
- bin/kkconv.x
- bin/lqp
- bin/makeacell.x
- bin/makeatompp.x
- bin/makecoords.x
- bin/melcalc.x
- bin/meljtv.x
- bin/mkrbfile_mult.x
- bin/mkximunu.x
- bin/mpi_avg.x
- bin/mpse.pl
- bin/nbse.pl
- bin/nelectron.x
- bin/o_spect.x
- bin/ocean.pl
- bin/ocean.x
- bin/ocean_prep.x
- bin/ofermi.pl
- bin/oparse.h
- bin/oparse.json
- bin/oparse.type.json
- bin/opf.pl
- bin/orthog.x
- bin/par_ab2.pl
- bin/par_dendip.pl
- bin/par_ocean.pl
- bin/parse
- bin/parse.pl
- bin/parseJSON.pl
- bin/pawsetup.x
- bin/photon.pl
- bin/pp.pl
- bin/prep.pl
- bin/projectVxc.pl
- bin/projectW.pl
- bin/pspDatabase.pl
- bin/psp_parser.pl
- bin/qe2rhoofr.pl
- bin/qe62band.pl
- bin/qe_data_file.pl
- bin/qe_dendip.pl
- bin/qeband.pl
- bin/rhoofg.x
- bin/rixs.pl
- bin/rixs_plane.x
- bin/rscombine.x
- bin/screen.pl
- bin/screen_driver.x
- bin/selfenergy.x
- bin/setup2.x
- bin/shifted_conugtoux.x
- bin/spec_average.x
- bin/specpnt
- bin/specpnt.10
- bin/specpnt.11
The first 100 are listed.
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| times-software-OCEAN-v3.1.0_GH0.tar.gz | 8.881276e+06 | 0f3a0a575c53b0bd40e63b68d4459cd90bc5db115a51364a771b5e882362ef55 |
Commit history 0
No commits in the history this site was built from.