BSD Portsscience/gbtolib 3.0.3_6 FreeBSD
High-performance library for evaluation of molecular integrals
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
70f20d6d43- License
- GPLv3
- Categories
- science
- Package size
- 1114.9 KiB, 2039.8 KiB installed
Description
GBTOlib: a high-performance library for evaluation of molecular integrals.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/gbtolib | 3.0.3_6 |
| DragonFly | science/gbtolib | 3.0.3 |
| HardenedBSD | science/gbtolib | 3.0.3_6 |
| GhostBSD | science/gbtolib | 3.0.3_6 |
Install
Binary package:
pkg install gbtolibFrom the ports tree:
cd /usr/ports/science/gbtolib/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= gbtolib>0:science/gbtolib
LIB_DEPENDS= libGBTO.so:science/gbtolibPackages
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 | 3.0.3_6 | 3.0.3_6 | - | - | 3.0.3_6 |
| FreeBSD:14:quarterly | 3.0.3_6 | 3.0.3_6 | n/a | - | 3.0.3_6 |
| FreeBSD:15:latest | 3.0.3_6 | 3.0.3_6 | n/a | - | 3.0.3_5 |
| FreeBSD:15:quarterly | 3.0.3_6 | 3.0.3_6 | n/a | n/a | n/a |
| FreeBSD:16:latest | 3.0.3_6 | 3.0.3_6 | 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 1
libopenblas.so: math/openblas
The full lists below include those, and their dependencies in turn.
Build dependencies 18
Run dependencies 9
Required by 1
Configuration
Options name: science_gbtolib
| Option | Default | Description |
|---|---|---|
| MPI | off | MPI (Message Passing Interface) support |
- USES
- cmake fortran zip
- Service scripts
- none
Files
pkg-plist 43
- bin/basis_read
- bin/print_orbital_table
- bin/scatci_integrals
- include/gbtolib/atomic_basis_gbl.mod
- include/gbtolib/basis_data_generic_gbl.mod
- include/gbtolib/blas_lapack_gbl.mod
- include/gbtolib/bspline_base_gbl.mod
- include/gbtolib/bspline_grid_gbl.mod
- include/gbtolib/bto_gto_integrals_gbl.mod
- include/gbtolib/bto_integrals_gbl.mod
- include/gbtolib/cgto_hgp_gbl.mod
- include/gbtolib/cgto_integrals_gbl.mod
- include/gbtolib/cgto_pw_expansions_gbl.mod
- include/gbtolib/common_obj_gbl.mod
- include/gbtolib/const_gbl.mod
- include/gbtolib/coupling_obj_gbl.mod
- include/gbtolib/data_file_gbl.mod
- include/gbtolib/eri_sph_coord_gbl.mod
- include/gbtolib/free_scattering_gbl.mod
- include/gbtolib/function_integration_gbl.mod
- include/gbtolib/general_quadrature_gbl.mod
- include/gbtolib/gto_routines_gbl.mod
- include/gbtolib/integral_storage_gbl.mod
- include/gbtolib/lebedev_gbl.mod
- include/gbtolib/molden_const_gbl.mod
- include/gbtolib/molden_gbl.mod
- include/gbtolib/molecular_basis_gbl.mod
- include/gbtolib/mpi_gbl.mod
- include/gbtolib/mpi_memory_gbl.mod
- include/gbtolib/orbital_routines_gbl.mod
- include/gbtolib/orthogonalization_gbl.mod
- include/gbtolib/parallel_arrays_gbl.mod
- include/gbtolib/pco_gbl.mod
- include/gbtolib/phys_const_gbl.mod
- include/gbtolib/precisn_gbl.mod
- include/gbtolib/quadrature_module_gbl.mod
- include/gbtolib/sort_gbl.mod
- include/gbtolib/special_functions_gbl.mod
- include/gbtolib/symmetry_gbl.mod
- include/gbtolib/ukrmol_interface_gbl.mod
- include/gbtolib/utils_gbl.mod
- include/gbtolib/wigner_cf_gbl.mod
- lib/libGBTO.so
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| GBTOLib-3.0.3.zip | 4.322269e+06 | 5110ddf6f3c9993c56ecca99df1fbb071e6402a31e0f599f2db8ad73a72de0b1 |
Master sites 1
- https://zenodo.org/record/5798035/files/