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Port details
gbtolib High-performance library for evaluation of molecular integrals
3.0.3_1 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-05-25 00:06:05
Last Update: 2022-08-03 08:40:49
Commit Hash: fd6a1cf
License: GPLv3
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (49 items)
Collapse this list.
  1. /usr/local/share/licenses/gbtolib-3.0.3_1/catalog.mk
  2. /usr/local/share/licenses/gbtolib-3.0.3_1/LICENSE
  3. /usr/local/share/licenses/gbtolib-3.0.3_1/GPLv3
  4. bin/basis_read
  5. bin/print_orbital_table
  6. bin/scatci_integrals
  7. include/gbtolib/atomic_basis_gbl.mod
  8. include/gbtolib/basis_data_generic_gbl.mod
  9. include/gbtolib/blas_lapack_gbl.mod
  10. include/gbtolib/bspline_base_gbl.mod
  11. include/gbtolib/bspline_grid_gbl.mod
  12. include/gbtolib/bto_gto_integrals_gbl.mod
  13. include/gbtolib/bto_integrals_gbl.mod
  14. include/gbtolib/cgto_hgp_gbl.mod
  15. include/gbtolib/cgto_integrals_gbl.mod
  16. include/gbtolib/cgto_pw_expansions_gbl.mod
  17. include/gbtolib/common_obj_gbl.mod
  18. include/gbtolib/const_gbl.mod
  19. include/gbtolib/coupling_obj_gbl.mod
  20. include/gbtolib/data_file_gbl.mod
  21. include/gbtolib/eri_sph_coord_gbl.mod
  22. include/gbtolib/free_scattering_gbl.mod
  23. include/gbtolib/function_integration_gbl.mod
  24. include/gbtolib/general_quadrature_gbl.mod
  25. include/gbtolib/gto_routines_gbl.mod
  26. include/gbtolib/integral_storage_gbl.mod
  27. include/gbtolib/lebedev_gbl.mod
  28. include/gbtolib/molden_const_gbl.mod
  29. include/gbtolib/molden_gbl.mod
  30. include/gbtolib/molecular_basis_gbl.mod
  31. include/gbtolib/mpi_gbl.mod
  32. include/gbtolib/mpi_memory_gbl.mod
  33. include/gbtolib/orbital_routines_gbl.mod
  34. include/gbtolib/orthogonalization_gbl.mod
  35. include/gbtolib/parallel_arrays_gbl.mod
  36. include/gbtolib/pco_gbl.mod
  37. include/gbtolib/phys_const_gbl.mod
  38. include/gbtolib/precisn_gbl.mod
  39. include/gbtolib/quadrature_module_gbl.mod
  40. include/gbtolib/sort_gbl.mod
  41. include/gbtolib/special_functions_gbl.mod
  42. include/gbtolib/symmetry_gbl.mod
  43. include/gbtolib/ukrmol_interface_gbl.mod
  44. include/gbtolib/utils_gbl.mod
  45. include/gbtolib/wigner_cf_gbl.mod
  46. lib/libGBTO.so
  47. @owner
  48. @group
  49. @mode
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Dependency lines:
  • gbtolib>0:science/gbtolib
To install the port:
cd /usr/ports/science/gbtolib/ && make install clean
To add the package, run one of these commands:
  • pkg install science/gbtolib
  • pkg install gbtolib
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: gbtolib
Flavors: there is no flavor information for this port.
distinfo:
Packages (timestamps in pop-ups are UTC):
gbtolib
ABIlatestquarterly
FreeBSD:11:aarch64--
FreeBSD:11:amd64--
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64-3.0.3
FreeBSD:12:amd643.0.3_13.0.3
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i3863.0.3_13.0.3
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch643.0.3_13.0.3
FreeBSD:13:amd643.0.3_13.0.3
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i3863.0.3_13.0.3
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64--
FreeBSD:13:riscv64--
FreeBSD:14:aarch643.0.3_1-
FreeBSD:14:amd643.0.3_1-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i3863.0.3_1-
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc64--
FreeBSD:14:riscv64--
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake
  2. gfortran11 : lang/gcc11
  3. as : devel/binutils
Runtime dependencies:
  1. gfortran11 : lang/gcc11
Library dependencies:
  1. libopenblas.so : math/openblas
This port is required by:
for Libraries
  1. science/ukrmol+

Configuration Options:
Options name:

USES:

FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://zenodo.org/record/5798035/files/
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Number of commits found: 3

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
03 Aug 2022 08:40:49
 files touched by this commit commit hash:fd6a1cf794c6c156ae3ec6dcef0fac15e2e2bf26  3.0.3_1
Yuri Victorovich (yuri) search for other commits by this committer
science/gbtolib: Add FFLAGS=-fdefault-integer-8

... to fix tests in science/ukrmol+.
30 Jul 2022 07:34:35
 files touched by this commit commit hash:39c5a8fe6ba891857e9859624dd5cd662344db59  3.0.3
Yuri Victorovich (yuri) search for other commits by this committer
science/gbtolib: Broken on systems where OpenMP isn't enabled

Reported by:	fallout
25 May 2022 00:02:33
 files touched by this commit commit hash:b9c18e8d11185549dd7cbe896ba503176d33c11b  3.0.3
Yuri Victorovich (yuri) search for other commits by this committer
science/gbtolib: New port: High-performance library for evaluation of molecular
integrals

Number of commits found: 3