| Port details |
- ocean BSE code for core spectroscopy
- 3.0.0 science
 =0      Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2022-10-30 16:12:22
- Last Update: 2022-10-30 16:11:07
- Commit Hash: b242240
- License: BSD3CLAUSE
- 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.
  ¦  ¦  ¦  ¦  - pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- ocean-spectroscopy-code>0:science/ocean
- To install the port:
- cd /usr/ports/science/ocean/ && make install clean
- To add the package, run one of these commands:
- pkg install science/ocean
- pkg install ocean-spectroscopy-code
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: ocean-spectroscopy-code
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1667070680
SHA256 (times-software-OCEAN-v3.0.0_GH0.tar.gz) = 9e05979504b2831c24690f384340f70e49e523b0bcbe439a884260908630f61b
SIZE (times-software-OCEAN-v3.0.0_GH0.tar.gz) = 8045439
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- gfortran12 : lang/gcc12
- gmake>=4.3 : devel/gmake
- as : devel/binutils
- Runtime dependencies:
-
- abinit>0 : science/abinit
- quantum-espresso>0 : science/quantum-espresso
- gfortran12 : lang/gcc12
- perl5>=5.32.r0<5.33 : lang/perl5.32
- Library dependencies:
-
- libfftw3.so : math/fftw3
- libopenblas.so : math/openblas
- libmpi_cxx.so : net/openmpi
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for ocean-spectroscopy-code-3.0.0:
====> MPI (Message Passing Interface) support: you have to select exactly one of them
MPICH=off: Parallel processing support via MPICH 3
OPENMPI=on: Parallel processing support via Open MPI
===> Use 'make config' to modify these settings
- Options name:
- science_ocean
- USES:
- fortran gmake localbase perl5 shebangfix mpi:openmpi pkgconfig
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
Number of commits found: 1
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
3.0.0
30 Oct 2022 16:11:07
 |
Yuri Victorovich (yuri) |
science/ocean: New port: BSE code for core spectroscopy |
Number of commits found: 1
|
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