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Port details
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.

Number of commits found: 12

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
0.3.0_2
12 Dec 2023 19:03:50
commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0 files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: bump PORTREVISION after the upgrade of OpenBLAS

PR:		273219
0.3.0_1
26 Jul 2023 06:20:26
commit hash: 2b7078efd2af481bff974a1b32e2be3b8a809e70commit hash: 2b7078efd2af481bff974a1b32e2be3b8a809e70commit hash: 2b7078efd2af481bff974a1b32e2be3b8a809e70commit hash: 2b7078efd2af481bff974a1b32e2be3b8a809e70 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/simple-dftd3: Update 0.6.0 → 1.0.0

Switch to the main project GH account from the development fork.
0.3.0
07 Jun 2023 04:45:25
commit hash: 68623c5fedf9e7bd2434843d3bb651fc2f1ec170commit hash: 68623c5fedf9e7bd2434843d3bb651fc2f1ec170commit hash: 68623c5fedf9e7bd2434843d3bb651fc2f1ec170commit hash: 68623c5fedf9e7bd2434843d3bb651fc2f1ec170 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/tblite: Update 0.2.1 → 0.3.0

Reported by:	portscout
0.2.1_2
23 Apr 2023 09:09:58
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit
Gerald Pfeifer (gerald) search for other commits by this committer
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
07 Sep 2022 21:58:51
commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Remove WWW entries moved into port Makefiles

Commit b7f05445c00f has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.

This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.

Approved by:		portmgr (tcberner)
0.2.1_1
07 Sep 2022 21:10:59
commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Add WWW entries to port Makefiles

It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.

Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.

There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.
(Only the first 15 lines of the commit message are shown above View all of this commit message)
0.2.1_1
03 Aug 2022 17:30:41
commit hash: 2ee30251736e368b793a4c6ffdf9553151254266commit hash: 2ee30251736e368b793a4c6ffdf9553151254266commit hash: 2ee30251736e368b793a4c6ffdf9553151254266commit hash: 2ee30251736e368b793a4c6ffdf9553151254266 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
textproc/toml-f: Update 0.2.3 -> 0.3.0

Reported by:	portscout
0.2.1
24 Jul 2022 10:24:22
commit hash: 64dc70d08a580878dd0e7eebfd60bcd34eb19c46commit hash: 64dc70d08a580878dd0e7eebfd60bcd34eb19c46commit hash: 64dc70d08a580878dd0e7eebfd60bcd34eb19c46commit hash: 64dc70d08a580878dd0e7eebfd60bcd34eb19c46 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/tblite: Broken on systems where OpenMP isn't enabled

Reported by:	fallout
0.2.1
22 May 2022 03:48:48
commit hash: 04cfbb101f984343f9b154e96e1f770965510f54commit hash: 04cfbb101f984343f9b154e96e1f770965510f54commit hash: 04cfbb101f984343f9b154e96e1f770965510f54commit hash: 04cfbb101f984343f9b154e96e1f770965510f54 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/tblite: Update 0.2.0 -> 0.2.1

Reported by:	portscout
0.2.0
16 May 2022 02:15:01
commit hash: 5e7153934bbd8a8b0638d47dc880a43425c36d3ecommit hash: 5e7153934bbd8a8b0638d47dc880a43425c36d3ecommit hash: 5e7153934bbd8a8b0638d47dc880a43425c36d3ecommit hash: 5e7153934bbd8a8b0638d47dc880a43425c36d3e files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/tblite: Update 0.1.0 -> 0.2.0

Reported by:	portscout
0.1.0_1
18 Jan 2022 20:12:05
commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326commit hash: 737e7cdf87de45128ebb491ff8db32124a2f6326 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
*/*: In 7 ports remove GNU-10.3.0 from install paths

This makes them prone to breaking when GCC version is changed.

Reported by:	diizzy@
0.1.0
18 Jan 2022 02:42:03
commit hash: a6c7c855dff7d31f15b6b95449a04905af309fcfcommit hash: a6c7c855dff7d31f15b6b95449a04905af309fcfcommit hash: a6c7c855dff7d31f15b6b95449a04905af309fcfcommit hash: a6c7c855dff7d31f15b6b95449a04905af309fcf files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/tblite: New port: Light-weight tight-binding framework

Number of commits found: 12