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Port details on branch 2022Q2
tblite Light-weight tight-binding framework
0.3.0_2 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 0.3.0_2Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-01-18 02:45:25
Last Update: 2023-12-12 19:03:50
Commit Hash: ab17137
License: GPLv3
WWW:
https://github.com/tblite/tblite
Description:
This project is an effort to create a library implementation of the extended tight binding (xTB) Hamiltonian which can be shared between xtb and dftb+. The current state of this project should be considered as highly experimental.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb - no subversion history for this port

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (164 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/tblite-0.3.0_2/catalog.mk
  3. /usr/local/share/licenses/tblite-0.3.0_2/LICENSE
  4. /usr/local/share/licenses/tblite-0.3.0_2/GPLv3
  5. bin/tblite
  6. include/tblite.h
  7. include/tblite/calculator.h
  8. include/tblite/container.h
  9. include/tblite/context.h
  10. include/tblite/error.h
  11. include/tblite/macros.h
  12. include/tblite/param.h
  13. include/tblite/result.h
  14. include/tblite/structure.h
  15. include/tblite/table.h
  16. include/tblite/tblite_adjlist.mod
  17. include/tblite/tblite_api_calculator.mod
  18. include/tblite/tblite_api_container.mod
  19. include/tblite/tblite_api_context.mod
  20. include/tblite/tblite_api_error.mod
  21. include/tblite/tblite_api_param.mod
  22. include/tblite/tblite_api_result.mod
  23. include/tblite/tblite_api_structure.mod
  24. include/tblite/tblite_api_table.mod
  25. include/tblite/tblite_api_utils.mod
  26. include/tblite/tblite_api_version.mod
  27. include/tblite/tblite_basis.mod
  28. include/tblite/tblite_basis_ortho.mod
  29. include/tblite/tblite_basis_slater.mod
  30. include/tblite/tblite_basis_type.mod
  31. include/tblite/tblite_blas.mod
  32. include/tblite/tblite_blas_level1.mod
  33. include/tblite/tblite_blas_level2.mod
  34. include/tblite/tblite_blas_level3.mod
  35. include/tblite/tblite_classical_halogen.mod
  36. include/tblite/tblite_container.mod
  37. include/tblite/tblite_container_cache.mod
  38. include/tblite/tblite_container_list.mod
  39. include/tblite/tblite_container_type.mod
  40. include/tblite/tblite_context.mod
  41. include/tblite/tblite_context_logger.mod
  42. include/tblite/tblite_context_solver.mod
  43. include/tblite/tblite_context_terminal.mod
  44. include/tblite/tblite_context_type.mod
  45. include/tblite/tblite_coulomb.mod
  46. include/tblite/tblite_coulomb_cache.mod
  47. include/tblite/tblite_coulomb_charge.mod
  48. include/tblite/tblite_coulomb_charge_effective.mod
  49. include/tblite/tblite_coulomb_charge_gamma.mod
  50. include/tblite/tblite_coulomb_charge_type.mod
  51. include/tblite/tblite_coulomb_ewald.mod
  52. include/tblite/tblite_coulomb_multipole.mod
  53. include/tblite/tblite_coulomb_thirdorder.mod
  54. include/tblite/tblite_coulomb_type.mod
  55. include/tblite/tblite_cutoff.mod
  56. include/tblite/tblite_data.mod
  57. include/tblite/tblite_data_atomicrad.mod
  58. include/tblite/tblite_data_covrad.mod
  59. include/tblite/tblite_data_paulingen.mod
  60. include/tblite/tblite_data_spin.mod
  61. include/tblite/tblite_disp.mod
  62. include/tblite/tblite_disp_cache.mod
  63. include/tblite/tblite_disp_d3.mod
  64. include/tblite/tblite_disp_d4.mod
  65. include/tblite/tblite_disp_type.mod
  66. include/tblite/tblite_external_field.mod
  67. include/tblite/tblite_fit_newuoa.mod
  68. include/tblite/tblite_fit_settings.mod
  69. include/tblite/tblite_integral_dipole.mod
  70. include/tblite/tblite_integral_multipole.mod
  71. include/tblite/tblite_integral_overlap.mod
  72. include/tblite/tblite_integral_trafo.mod
  73. include/tblite/tblite_integral_type.mod
  74. include/tblite/tblite_io_tag.mod
  75. include/tblite/tblite_lapack.mod
  76. include/tblite/tblite_lapack_getrf.mod
  77. include/tblite/tblite_lapack_getri.mod
  78. include/tblite/tblite_lapack_getrs.mod
  79. include/tblite/tblite_lapack_potrf.mod
  80. include/tblite/tblite_lapack_solver.mod
  81. include/tblite/tblite_lapack_sygst.mod
  82. include/tblite/tblite_lapack_sygvd.mod
  83. include/tblite/tblite_lapack_sygvr.mod
  84. include/tblite/tblite_mesh_lebedev.mod
  85. include/tblite/tblite_ncoord.mod
  86. include/tblite/tblite_ncoord_exp.mod
  87. include/tblite/tblite_ncoord_gfn.mod
  88. include/tblite/tblite_ncoord_type.mod
  89. include/tblite/tblite_os.mod
  90. include/tblite/tblite_output_ascii.mod
  91. include/tblite/tblite_output_format.mod
  92. include/tblite/tblite_output_property.mod
  93. include/tblite/tblite_param.mod
  94. include/tblite/tblite_param_charge.mod
  95. include/tblite/tblite_param_dispersion.mod
  96. include/tblite/tblite_param_element.mod
  97. include/tblite/tblite_param_halogen.mod
  98. include/tblite/tblite_param_hamiltonian.mod
  99. include/tblite/tblite_param_mask.mod
  100. include/tblite/tblite_param_multipole.mod
  101. include/tblite/tblite_param_repulsion.mod
  102. include/tblite/tblite_param_serde.mod
  103. include/tblite/tblite_param_thirdorder.mod
  104. include/tblite/tblite_repulsion.mod
  105. include/tblite/tblite_repulsion_effective.mod
  106. include/tblite/tblite_repulsion_type.mod
  107. include/tblite/tblite_results.mod
  108. include/tblite/tblite_scf.mod
  109. include/tblite/tblite_scf_info.mod
  110. include/tblite/tblite_scf_iterator.mod
  111. include/tblite/tblite_scf_mixer.mod
  112. include/tblite/tblite_scf_mixer_broyden.mod
  113. include/tblite/tblite_scf_mixer_type.mod
  114. include/tblite/tblite_scf_potential.mod
  115. include/tblite/tblite_scf_solver.mod
  116. include/tblite/tblite_solvation.mod
  117. include/tblite/tblite_solvation_alpb.mod
  118. include/tblite/tblite_solvation_born.mod
  119. include/tblite/tblite_solvation_cds.mod
  120. include/tblite/tblite_solvation_cpcm.mod
  121. include/tblite/tblite_solvation_cpcm_dd.mod
  122. include/tblite/tblite_solvation_data.mod
  123. include/tblite/tblite_solvation_input.mod
  124. include/tblite/tblite_solvation_surface.mod
  125. include/tblite/tblite_solvation_type.mod
  126. include/tblite/tblite_spin.mod
  127. include/tblite/tblite_timer.mod
  128. include/tblite/tblite_toml.mod
  129. include/tblite/tblite_version.mod
  130. include/tblite/tblite_wavefunction.mod
  131. include/tblite/tblite_wavefunction_fermi.mod
  132. include/tblite/tblite_wavefunction_guess.mod
  133. include/tblite/tblite_wavefunction_mulliken.mod
  134. include/tblite/tblite_wavefunction_spin.mod
  135. include/tblite/tblite_wavefunction_type.mod
  136. include/tblite/tblite_wignerseitz.mod
  137. include/tblite/tblite_xtb.mod
  138. include/tblite/tblite_xtb_calculator.mod
  139. include/tblite/tblite_xtb_coulomb.mod
  140. include/tblite/tblite_xtb_gfn1.mod
  141. include/tblite/tblite_xtb_gfn2.mod
  142. include/tblite/tblite_xtb_h0.mod
  143. include/tblite/tblite_xtb_ipea1.mod
  144. include/tblite/tblite_xtb_singlepoint.mod
  145. include/tblite/tblite_xtb_spec.mod
  146. include/tblite/version.h
  147. lib/cmake/tblite/Finddftd4.cmake
  148. lib/cmake/tblite/Findmctc-lib.cmake
  149. lib/cmake/tblite/Findmstore.cmake
  150. lib/cmake/tblite/Findmulticharge.cmake
  151. lib/cmake/tblite/Finds-dftd3.cmake
  152. lib/cmake/tblite/Findtoml-f.cmake
  153. lib/cmake/tblite/tblite-config-version.cmake
  154. lib/cmake/tblite/tblite-config.cmake
  155. lib/cmake/tblite/tblite-targets-release.cmake
  156. lib/cmake/tblite/tblite-targets.cmake
  157. lib/cmake/tblite/tblite-utils.cmake
  158. lib/libtblite.so
  159. lib/libtblite.so.0
  160. lib/libtblite.so.0.3.0
  161. libdata/pkgconfig/tblite.pc
  162. @owner
  163. @group
  164. @mode
Collapse this list.
Dependency lines:
  • tblite>0:science/tblite
To install the port:
cd /usr/ports/science/tblite/ && make install clean
To add the package, run one of these commands:
  • pkg install science/tblite
  • pkg install tblite
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: tblite
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1686109155 SHA256 (tblite-tblite-v0.3.0_GH0.tar.gz) = 44b6ecff94b29c109f7d1afa3f49eebd3979a2b115fc7bab0c9fc1d7e61bdc27 SIZE (tblite-tblite-v0.3.0_GH0.tar.gz) = 496111
Packages (timestamps in pop-ups are UTC):
tblite
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-0.3.0_2--0.3.0_2---
FreeBSD:13:quarterly-0.3.0_2--0.3.0_2-0.3.0_2-
FreeBSD:14:latest-0.3.0_2--0.3.0_2---
FreeBSD:14:quarterly-0.3.0_2--0.3.0_2-0.3.0_2-
FreeBSD:15:latest-0.3.0_2n/a-n/a-0.3.0_20.3.0_2
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. mstore>0 : science/mstore
  2. cmake : devel/cmake-core
  3. gfortran12 : lang/gcc12
  4. as : devel/binutils
Runtime dependencies:
  1. gfortran12 : lang/gcc12
Library dependencies:
  1. libdftd4.so : science/dftd4
  2. libmctc-lib.so : science/mctc-lib
  3. libmulticharge.so : science/multicharge
  4. libopenblas.so : math/openblas
  5. libs-dftd3.so : science/simple-dftd3
  6. libtoml-f.so : textproc/toml-f
There are no ports dependent upon this port
Configuration Options:
No options to configure
Options name:
science_tblite
USES:
cmake:testing fortran
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/tblite/tblite/tar.gz/v0.3.0?dummy=/
Collapse this list.

There are no commits on branch 2022Q2 for this port
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