BSD Portsscience/ukrmol+ 3.2_7 FreeBSD
Code to compute electron and positron scattering from molecules
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
0b23c55e5d- License
- GPLv3
- Categories
- science
Description
Outer region programs for the re-engineered UK computational implementation of the R-matrix method for the treatment of electron and positron scattering from molecules (BTO/GTO continuum). Also calculates photoionization cross sections.
Install
Binary package:
pkg install ukrmol+From the ports tree:
cd /usr/ports/science/ukrmol+/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= ukrmol+>0:science/ukrmol+
LIB_DEPENDS= libcdenprop.so:science/ukrmol+Packages
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 | - | 3.2_7 | - | - | 3.2_7 |
| FreeBSD:14:quarterly | - | 3.2_7 | n/a | - | 3.2_7 |
| FreeBSD:15:latest | - | 3.2_7 | n/a | - | 3.2_6 |
| FreeBSD:15:quarterly | - | 3.2_7 | n/a | n/a | n/a |
| FreeBSD:16:latest | - | 3.2_7 | 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
libGBTO.so: science/gbtoliblibopenblas.so: math/openblas
The full lists below include those, and their dependencies in turn.
Build dependencies 19
Run dependencies 10
No port depends on this one.
Configuration
Options name: science_ukrmol+
| Option | Default | Description |
|---|---|---|
| DOCS | off | Build and/or install documentation |
- USES
- cmake:testing fortran localbase:ldflags python:test
- Service scripts
- none
Files
pkg-plist 139
- bin/borncros
- bin/bound
- bin/cdenprop
- bin/cdenprop_all
- bin/congen
- bin/dcs
- bin/denprop
- bin/dipelm
- bin/dipole_tools
- bin/eigenp
- bin/gtobas
- bin/ixsecs
- bin/kmatadgeneral
- bin/mpi-scatci
- bin/mpi_rsolve
- bin/multidip
- bin/numcbas
- bin/numsbas
- bin/outer
- bin/outer-run
- bin/pfarm_interface
- bin/phase_match
- bin/phase_match_orbitals
- bin/radden
- bin/rates
- bin/reson
- bin/rmt_interface
- bin/rsolve
- bin/scatci
- bin/swinterf
- bin/timedel
- bin/tmatrx
- include/bas/gtobas_data.mod
- include/bas/numcbas_data.mod
- include/cdenprop/cdenprop_aux.mod
- include/cdenprop/cdenprop_defs.mod
- include/cdenprop/cdenprop_io.mod
- include/cdenprop/cdenprop_procs.mod
- include/cdenprop/class_coosparsematrix_integer.mod
- include/cdenprop/class_coosparsematrix_real.mod
- include/cdenprop/class_molecular_properties_data.mod
- include/cdenprop/class_namelists.mod
- include/ci-diag/alchemy_module.mod
- include/ci-diag/baseintegral_module.mod
- include/ci-diag/basematrix_module.mod
- include/ci-diag/ci_hamiltonian_module.mod
- include/ci-diag/consts_mpi_ci.mod
- include/ci-diag/contracted_hamiltonian_module.mod
- include/ci-diag/contracted_symbolic_module.mod
- include/ci-diag/csf_module.mod
- include/ci-diag/davidsondiagonalizer_module.mod
- include/ci-diag/diagonalizer_module.mod
- include/ci-diag/diagonalizerresult_module.mod
- include/ci-diag/dispatcher_module.mod
- include/ci-diag/distributedmatrix_module.mod
- include/ci-diag/hamiltonian_module.mod
- include/ci-diag/lapackdiagonalizer_module.mod
- include/ci-diag/m_2_matrix_sparse.mod
- include/ci-diag/matrixcache_module.mod
- include/ci-diag/matrixelement_module.mod
- include/ci-diag/memorymanager_module.mod
- include/ci-diag/options_module.mod
- include/ci-diag/orbital_module.mod
- include/ci-diag/parallelization_module.mod
- include/ci-diag/postprocessing_module.mod
- include/ci-diag/scatci_data.mod
- include/ci-diag/scatci_routines.mod
- include/ci-diag/solutionhandler_module.mod
- include/ci-diag/sweden_module.mod
- include/ci-diag/symbolic_module.mod
- include/ci-diag/target_rmat_ci_module.mod
- include/ci-diag/timing_module.mod
- include/ci-diag/ukrmol_module.mod
- include/ci-diag/uncontracted_hamiltonian_module.mod
- include/ci-diag/utility_module.mod
- include/ci-diag/writermatrix_module.mod
- include/compak/blas95_compak.mod
- include/compak/compak_defs.mod
- include/compak/compak_procs.mod
- include/compak/lapack95_compak.mod
- include/compak/photo_outerio.mod
- include/compak/read_inner_dipoles.mod
- include/congen/congen_bstree.mod
- include/congen/congen_data.mod
- include/congen/congen_distribution.mod
- include/congen/congen_driver.mod
- include/congen/congen_pagecontrol.mod
- include/congen/congen_projection.mod
- include/dipelm/anglib.mod
- include/dipelm/angmom_procs.mod
- include/dipelm/dipelm_defs.mod
- include/dipelm/dipelm_io.mod
- include/dipelm/dipelm_procs.mod
- include/dipelm/dipelm_smooth.mod
- include/dipelm/dipelm_special_functions.mod
- include/dipelm/dipelm_types.mod
- include/dipelm/dipelmdefs.mod
- include/dipelm/dipelmio.mod
- include/dipelm/dipelmprocs.mod
- include/dipelm/properties_file_mod.mod
The first 100 are listed.
distinfo 2
| File | Size | SHA256 |
|---|---|---|
| ukrmol-out-3.2.tar.gz | 3.722605e+06 | 9d3acc132c4128957d0a34ac8700924d3efdb7b84e37107fad6f80ac840aee59 |
| ukrmol-in-3.2.tar.gz | 8.934306e+06 | b93017d8d82a359a72f0f2326cef67c5499f3f97b518ec2a9befbfb214b5ecb4 |
Master sites 2
- https://zenodo.org/record/5799134/files/:out
- https://zenodo.org/record/5799110/files/:in