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Port details on branch 2022Q2
dftbplus DFTB+: Package for performing fast atomistic simulations
23.1_4 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 23.1_4Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-09-12 22:25:35
Last Update: 2024-01-01 11:49:51
Commit Hash: f2489ab
License: GPLv3
WWW:
https://dftbplus.org/
Description:
DFTB+ is a fast and efficient versatile quantum mechanical simulation software package. Using DFTB+ you can carry out quantum mechanical simulations similar to density functional theory but in an approximate way, typically gaining around two orders of magnitude in speed. DFTB+ can be used either as a standalone application or embeded it into other academic or commercial simulation packages as a library.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (341 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/dftbplus-23.1_4/catalog.mk
  3. /usr/local/share/licenses/dftbplus-23.1_4/LICENSE
  4. /usr/local/share/licenses/dftbplus-23.1_4/GPLv3
  5. bin/buildwire
  6. bin/calc_timeprop_maxpoldir
  7. bin/calc_timeprop_spectrum
  8. bin/dftb+
  9. bin/flux
  10. bin/integvalue
  11. bin/makecube
  12. bin/modes
  13. bin/phonons
  14. bin/polyvalue
  15. bin/printunits
  16. bin/setupgeom
  17. bin/skderivs
  18. bin/splvalue
  19. bin/waveplot
  20. include/dftbplus.h
  21. include/dftbplus/modfiles/ddcosmo_core.mod
  22. include/dftbplus/modfiles/ddcosmo_solver.mod
  23. include/dftbplus/modfiles/dftbp_capi.mod
  24. include/dftbplus/modfiles/dftbp_common_accuracy.mod
  25. include/dftbplus/modfiles/dftbp_common_assert.mod
  26. include/dftbplus/modfiles/dftbp_common_atomicmass.mod
  27. include/dftbplus/modfiles/dftbp_common_atomicrad.mod
  28. include/dftbplus/modfiles/dftbp_common_blacsenv.mod
  29. include/dftbplus/modfiles/dftbp_common_coherence.mod
  30. include/dftbplus/modfiles/dftbp_common_constants.mod
  31. include/dftbplus/modfiles/dftbp_common_envcheck.mod
  32. include/dftbplus/modfiles/dftbp_common_environment.mod
  33. include/dftbplus/modfiles/dftbp_common_file.mod
  34. include/dftbplus/modfiles/dftbp_common_filesystem.mod
  35. include/dftbplus/modfiles/dftbp_common_globalenv.mod
  36. include/dftbplus/modfiles/dftbp_common_hamiltoniantypes.mod
  37. include/dftbplus/modfiles/dftbp_common_memman.mod
  38. include/dftbplus/modfiles/dftbp_common_mpienv.mod
  39. include/dftbplus/modfiles/dftbp_common_optarg.mod
  40. include/dftbplus/modfiles/dftbp_common_schedule.mod
  41. include/dftbplus/modfiles/dftbp_common_status.mod
  42. include/dftbplus/modfiles/dftbp_common_timer.mod
  43. include/dftbplus/modfiles/dftbp_common_timerarray.mod
  44. include/dftbplus/modfiles/dftbp_common_unitconversion.mod
  45. include/dftbplus/modfiles/dftbp_common_version.mod
  46. include/dftbplus/modfiles/dftbp_derivs_fermihelper.mod
  47. include/dftbplus/modfiles/dftbp_derivs_linearresponse.mod
  48. include/dftbplus/modfiles/dftbp_derivs_numderivs2.mod
  49. include/dftbplus/modfiles/dftbp_derivs_perturb.mod
  50. include/dftbplus/modfiles/dftbp_derivs_rotatedegen.mod
  51. include/dftbplus/modfiles/dftbp_dftb_blockpothelper.mod
  52. include/dftbplus/modfiles/dftbp_dftb_bondpopulations.mod
  53. include/dftbplus/modfiles/dftbp_dftb_boundarycond.mod
  54. include/dftbplus/modfiles/dftbp_dftb_chargeconstr.mod
  55. include/dftbplus/modfiles/dftbp_dftb_charges.mod
  56. include/dftbplus/modfiles/dftbp_dftb_coordnumber.mod
  57. include/dftbplus/modfiles/dftbp_dftb_coulomb.mod
  58. include/dftbplus/modfiles/dftbp_dftb_dense.mod
  59. include/dftbplus/modfiles/dftbp_dftb_densitymatrix.mod
  60. include/dftbplus/modfiles/dftbp_dftb_determinants.mod
  61. include/dftbplus/modfiles/dftbp_dftb_dftbplusu.mod
  62. include/dftbplus/modfiles/dftbp_dftb_dftd3param.mod
  63. include/dftbplus/modfiles/dftbp_dftb_dftd4param.mod
  64. include/dftbplus/modfiles/dftbp_dftb_dispcommon.mod
  65. include/dftbplus/modfiles/dftbp_dftb_dispdftd4.mod
  66. include/dftbplus/modfiles/dftbp_dftb_dispersions.mod
  67. include/dftbplus/modfiles/dftbp_dftb_dispiface.mod
  68. include/dftbplus/modfiles/dftbp_dftb_dispmbd.mod
  69. include/dftbplus/modfiles/dftbp_dftb_dispslaterkirkw.mod
  70. include/dftbplus/modfiles/dftbp_dftb_dispuff.mod
  71. include/dftbplus/modfiles/dftbp_dftb_dispuffdata.mod
  72. include/dftbplus/modfiles/dftbp_dftb_elecconstraints.mod
  73. include/dftbplus/modfiles/dftbp_dftb_elstatpot.mod
  74. include/dftbplus/modfiles/dftbp_dftb_encharges.mod
  75. include/dftbplus/modfiles/dftbp_dftb_energytypes.mod
  76. include/dftbplus/modfiles/dftbp_dftb_etemp.mod
  77. include/dftbplus/modfiles/dftbp_dftb_extcharges.mod
  78. include/dftbplus/modfiles/dftbp_dftb_extfields.mod
  79. include/dftbplus/modfiles/dftbp_dftb_forces.mod
  80. include/dftbplus/modfiles/dftbp_dftb_getenergies.mod
  81. include/dftbplus/modfiles/dftbp_dftb_h5correction.mod
  82. include/dftbplus/modfiles/dftbp_dftb_halogenx.mod
  83. include/dftbplus/modfiles/dftbp_dftb_hamiltonian.mod
  84. include/dftbplus/modfiles/dftbp_dftb_nonscc.mod
  85. include/dftbplus/modfiles/dftbp_dftb_onsitecorrection.mod
  86. include/dftbplus/modfiles/dftbp_dftb_orbitalequiv.mod
  87. include/dftbplus/modfiles/dftbp_dftb_periodic.mod
  88. include/dftbplus/modfiles/dftbp_dftb_pmlocalisation.mod
  89. include/dftbplus/modfiles/dftbp_dftb_populations.mod
  90. include/dftbplus/modfiles/dftbp_dftb_potentials.mod
  91. include/dftbplus/modfiles/dftbp_dftb_rangeseparated.mod
  92. include/dftbplus/modfiles/dftbp_dftb_repulsive_chimesrep.mod
  93. include/dftbplus/modfiles/dftbp_dftb_repulsive_pairrepulsive.mod
  94. include/dftbplus/modfiles/dftbp_dftb_repulsive_polyrep.mod
  95. include/dftbplus/modfiles/dftbp_dftb_repulsive_repulsive.mod
  96. include/dftbplus/modfiles/dftbp_dftb_repulsive_repulsivecont.mod
  97. include/dftbplus/modfiles/dftbp_dftb_repulsive_repulsivelist.mod
  98. include/dftbplus/modfiles/dftbp_dftb_repulsive_splinerep.mod
  99. include/dftbplus/modfiles/dftbp_dftb_repulsive_twobodyrep.mod
  100. include/dftbplus/modfiles/dftbp_dftb_scc.mod
  101. include/dftbplus/modfiles/dftbp_dftb_sccinit.mod
  102. include/dftbplus/modfiles/dftbp_dftb_shift.mod
  103. include/dftbplus/modfiles/dftbp_dftb_shortgamma.mod
  104. include/dftbplus/modfiles/dftbp_dftb_shortgammafuncs.mod
  105. include/dftbplus/modfiles/dftbp_dftb_simpledftd3.mod
  106. include/dftbplus/modfiles/dftbp_dftb_sk.mod
  107. include/dftbplus/modfiles/dftbp_dftb_slakocont.mod
  108. include/dftbplus/modfiles/dftbp_dftb_slakoeqgrid.mod
  109. include/dftbplus/modfiles/dftbp_dftb_sparse2dense.mod
  110. include/dftbplus/modfiles/dftbp_dftb_spin.mod
  111. include/dftbplus/modfiles/dftbp_dftb_spinorbit.mod
  112. include/dftbplus/modfiles/dftbp_dftb_stress.mod
  113. include/dftbplus/modfiles/dftbp_dftb_thirdorder.mod
  114. include/dftbplus/modfiles/dftbp_dftb_uniquehubbard.mod
  115. include/dftbplus/modfiles/dftbp_dftb_vdwdata.mod
  116. include/dftbplus/modfiles/dftbp_dftbplus_eigenvects.mod
  117. include/dftbplus/modfiles/dftbp_dftbplus_elstattypes.mod
  118. include/dftbplus/modfiles/dftbp_dftbplus_forcetypes.mod
  119. include/dftbplus/modfiles/dftbp_dftbplus_hsdhelpers.mod
  120. include/dftbplus/modfiles/dftbp_dftbplus_initprogram.mod
  121. include/dftbplus/modfiles/dftbp_dftbplus_input_fileaccess.mod
  122. include/dftbplus/modfiles/dftbp_dftbplus_input_geoopt.mod
  123. include/dftbplus/modfiles/dftbp_dftbplus_inputconversion.mod
  124. include/dftbplus/modfiles/dftbp_dftbplus_inputdata.mod
  125. include/dftbplus/modfiles/dftbp_dftbplus_main.mod
  126. include/dftbplus/modfiles/dftbp_dftbplus_mainapi.mod
  127. include/dftbplus/modfiles/dftbp_dftbplus_mainio.mod
  128. include/dftbplus/modfiles/dftbp_dftbplus_oldcompat.mod
  129. include/dftbplus/modfiles/dftbp_dftbplus_outputfiles.mod
  130. include/dftbplus/modfiles/dftbp_dftbplus_parser.mod
  131. include/dftbplus/modfiles/dftbp_dftbplus_qdepextpotgen.mod
  132. include/dftbplus/modfiles/dftbp_dftbplus_qdepextpotgenc.mod
  133. include/dftbplus/modfiles/dftbp_dftbplus_qdepextpotproxy.mod
  134. include/dftbplus/modfiles/dftbp_dftbplus_specieslist.mod
  135. include/dftbplus/modfiles/dftbp_dftbplus_transportio.mod
  136. include/dftbplus/modfiles/dftbp_elecsolvers_elecsolvers.mod
  137. include/dftbplus/modfiles/dftbp_elecsolvers_elecsolvertypes.mod
  138. include/dftbplus/modfiles/dftbp_elecsolvers_elsicsc.mod
  139. include/dftbplus/modfiles/dftbp_elecsolvers_elsisolver.mod
  140. include/dftbplus/modfiles/dftbp_extlibs_arpack.mod
  141. include/dftbplus/modfiles/dftbp_extlibs_blas.mod
  142. include/dftbplus/modfiles/dftbp_extlibs_chimes.mod
  143. include/dftbplus/modfiles/dftbp_extlibs_ddcosmo.mod
  144. include/dftbplus/modfiles/dftbp_extlibs_dftd4refs.mod
  145. include/dftbplus/modfiles/dftbp_extlibs_elsiiface.mod
  146. include/dftbplus/modfiles/dftbp_extlibs_fsockets.mod
  147. include/dftbplus/modfiles/dftbp_extlibs_lapack.mod
  148. include/dftbplus/modfiles/dftbp_extlibs_lebedev.mod
  149. include/dftbplus/modfiles/dftbp_extlibs_magma.mod
  150. include/dftbplus/modfiles/dftbp_extlibs_mpifx.mod
  151. include/dftbplus/modfiles/dftbp_extlibs_negf.mod
  152. include/dftbplus/modfiles/dftbp_extlibs_plumed.mod
  153. include/dftbplus/modfiles/dftbp_extlibs_poisson.mod
  154. include/dftbplus/modfiles/dftbp_extlibs_scalapackfx.mod
  155. include/dftbplus/modfiles/dftbp_extlibs_sdftd3.mod
  156. include/dftbplus/modfiles/dftbp_extlibs_tblite.mod
  157. include/dftbplus/modfiles/dftbp_extlibs_xmlf90.mod
  158. include/dftbplus/modfiles/dftbp_geoopt_conjgrad.mod
  159. include/dftbplus/modfiles/dftbp_geoopt_deprecated_steepdesc.mod
  160. include/dftbplus/modfiles/dftbp_geoopt_filter.mod
  161. include/dftbplus/modfiles/dftbp_geoopt_fire.mod
  162. include/dftbplus/modfiles/dftbp_geoopt_gdiis.mod
  163. include/dftbplus/modfiles/dftbp_geoopt_geoopt.mod
  164. include/dftbplus/modfiles/dftbp_geoopt_lbfgs.mod
  165. include/dftbplus/modfiles/dftbp_geoopt_lbfgs2.mod
  166. include/dftbplus/modfiles/dftbp_geoopt_linemin.mod
  167. include/dftbplus/modfiles/dftbp_geoopt_optimizer.mod
  168. include/dftbplus/modfiles/dftbp_geoopt_package.mod
  169. include/dftbplus/modfiles/dftbp_geoopt_rationalfunc.mod
  170. include/dftbplus/modfiles/dftbp_geoopt_steepdesc.mod
  171. include/dftbplus/modfiles/dftbp_hsdapi.mod
  172. include/dftbplus/modfiles/dftbp_io_charmanip.mod
  173. include/dftbplus/modfiles/dftbp_io_commonformats.mod
  174. include/dftbplus/modfiles/dftbp_io_formatout.mod
  175. include/dftbplus/modfiles/dftbp_io_hsdparser.mod
  176. include/dftbplus/modfiles/dftbp_io_hsdutils.mod
  177. include/dftbplus/modfiles/dftbp_io_hsdutils2.mod
  178. include/dftbplus/modfiles/dftbp_io_indexselection.mod
  179. include/dftbplus/modfiles/dftbp_io_intrinsicpr.mod
  180. include/dftbplus/modfiles/dftbp_io_ipisocket.mod
  181. include/dftbplus/modfiles/dftbp_io_linereader.mod
  182. include/dftbplus/modfiles/dftbp_io_logger.mod
  183. include/dftbplus/modfiles/dftbp_io_message.mod
  184. include/dftbplus/modfiles/dftbp_io_taggedoutput.mod
  185. include/dftbplus/modfiles/dftbp_io_tokenreader.mod
  186. include/dftbplus/modfiles/dftbp_io_xmlutils.mod
  187. include/dftbplus/modfiles/dftbp_math_angmomentum.mod
  188. include/dftbplus/modfiles/dftbp_math_bisect.mod
  189. include/dftbplus/modfiles/dftbp_math_blasroutines.mod
  190. include/dftbplus/modfiles/dftbp_math_degeneracy.mod
  191. include/dftbplus/modfiles/dftbp_math_determinant.mod
  192. include/dftbplus/modfiles/dftbp_math_duplicate.mod
  193. include/dftbplus/modfiles/dftbp_math_eigensolver.mod
  194. include/dftbplus/modfiles/dftbp_math_erfcalc.mod
  195. include/dftbplus/modfiles/dftbp_math_errorfunction.mod
  196. include/dftbplus/modfiles/dftbp_math_f08math.mod
  197. include/dftbplus/modfiles/dftbp_math_factorial.mod
  198. include/dftbplus/modfiles/dftbp_math_hermite.mod
  199. include/dftbplus/modfiles/dftbp_math_interpolation.mod
  200. include/dftbplus/modfiles/dftbp_math_lapackroutines.mod
  201. include/dftbplus/modfiles/dftbp_math_qm.mod
  202. include/dftbplus/modfiles/dftbp_math_quaternions.mod
  203. include/dftbplus/modfiles/dftbp_math_randomgenpool.mod
  204. include/dftbplus/modfiles/dftbp_math_ranlux.mod
  205. include/dftbplus/modfiles/dftbp_math_scalafxext.mod
  206. include/dftbplus/modfiles/dftbp_math_simplealgebra.mod
  207. include/dftbplus/modfiles/dftbp_math_sorting.mod
  208. include/dftbplus/modfiles/dftbp_math_sparseblas.mod
  209. include/dftbplus/modfiles/dftbp_md_andersentherm.mod
  210. include/dftbplus/modfiles/dftbp_md_berendsentherm.mod
  211. include/dftbplus/modfiles/dftbp_md_dummytherm.mod
  212. include/dftbplus/modfiles/dftbp_md_extlagrangian.mod
  213. include/dftbplus/modfiles/dftbp_md_mdcommon.mod
  214. include/dftbplus/modfiles/dftbp_md_mdintegrator.mod
  215. include/dftbplus/modfiles/dftbp_md_nhctherm.mod
  216. include/dftbplus/modfiles/dftbp_md_tempprofile.mod
  217. include/dftbplus/modfiles/dftbp_md_thermostat.mod
  218. include/dftbplus/modfiles/dftbp_md_velocityverlet.mod
  219. include/dftbplus/modfiles/dftbp_md_xlbomd.mod
  220. include/dftbplus/modfiles/dftbp_mixer_andersonmixer.mod
  221. include/dftbplus/modfiles/dftbp_mixer_broydenmixer.mod
  222. include/dftbplus/modfiles/dftbp_mixer_diismixer.mod
  223. include/dftbplus/modfiles/dftbp_mixer_mixer.mod
  224. include/dftbplus/modfiles/dftbp_mixer_simplemixer.mod
  225. include/dftbplus/modfiles/dftbp_mmapi.mod
  226. include/dftbplus/modfiles/dftbp_poisson_bulkpot.mod
  227. include/dftbplus/modfiles/dftbp_poisson_fancybc.mod
  228. include/dftbplus/modfiles/dftbp_poisson_gallocation.mod
  229. include/dftbplus/modfiles/dftbp_poisson_gewald.mod
  230. include/dftbplus/modfiles/dftbp_poisson_mpi_poisson.mod
  231. include/dftbplus/modfiles/dftbp_poisson_parameters.mod
  232. include/dftbplus/modfiles/dftbp_poisson_parcheck.mod
  233. include/dftbplus/modfiles/dftbp_poisson_poisson.mod
  234. include/dftbplus/modfiles/dftbp_poisson_structure.mod
  235. include/dftbplus/modfiles/dftbp_reks_reks.mod
  236. include/dftbplus/modfiles/dftbp_reks_rekscommon.mod
  237. include/dftbplus/modfiles/dftbp_reks_rekscpeqn.mod
  238. include/dftbplus/modfiles/dftbp_reks_reksen.mod
  239. include/dftbplus/modfiles/dftbp_reks_reksfon.mod
  240. include/dftbplus/modfiles/dftbp_reks_reksgrad.mod
  241. include/dftbplus/modfiles/dftbp_reks_reksinterface.mod
  242. include/dftbplus/modfiles/dftbp_reks_reksio.mod
  243. include/dftbplus/modfiles/dftbp_reks_reksproperty.mod
  244. include/dftbplus/modfiles/dftbp_reks_reksvar.mod
  245. include/dftbplus/modfiles/dftbp_solvation_born.mod
  246. include/dftbplus/modfiles/dftbp_solvation_cm5.mod
  247. include/dftbplus/modfiles/dftbp_solvation_cosmo.mod
  248. include/dftbplus/modfiles/dftbp_solvation_fieldscaling.mod
  249. include/dftbplus/modfiles/dftbp_solvation_gbsafile.mod
  250. include/dftbplus/modfiles/dftbp_solvation_sasa.mod
  251. include/dftbplus/modfiles/dftbp_solvation_solvation.mod
  252. include/dftbplus/modfiles/dftbp_solvation_solvdata.mod
  253. include/dftbplus/modfiles/dftbp_solvation_solventdata.mod
  254. include/dftbplus/modfiles/dftbp_solvation_solvinput.mod
  255. include/dftbplus/modfiles/dftbp_solvation_solvparser.mod
  256. include/dftbplus/modfiles/dftbp_timedep_dynamicsrestart.mod
  257. include/dftbplus/modfiles/dftbp_timedep_linresp.mod
  258. include/dftbplus/modfiles/dftbp_timedep_linrespcommon.mod
  259. include/dftbplus/modfiles/dftbp_timedep_linrespgrad.mod
  260. include/dftbplus/modfiles/dftbp_timedep_linresptypes.mod
  261. include/dftbplus/modfiles/dftbp_timedep_pprpa.mod
  262. include/dftbplus/modfiles/dftbp_timedep_timeprop.mod
  263. include/dftbplus/modfiles/dftbp_timedep_transcharges.mod
  264. include/dftbplus/modfiles/dftbp_transport_matconv.mod
  265. include/dftbplus/modfiles/dftbp_transport_negfint.mod
  266. include/dftbplus/modfiles/dftbp_transport_negfvars.mod
  267. include/dftbplus/modfiles/dftbp_type_commontypes.mod
  268. include/dftbplus/modfiles/dftbp_type_densedescr.mod
  269. include/dftbplus/modfiles/dftbp_type_dynneighlist.mod
  270. include/dftbplus/modfiles/dftbp_type_integral.mod
  271. include/dftbplus/modfiles/dftbp_type_latpointiter.mod
  272. include/dftbplus/modfiles/dftbp_type_linkedlist.mod
  273. include/dftbplus/modfiles/dftbp_type_linkedlistc0.mod
  274. include/dftbplus/modfiles/dftbp_type_linkedlistc1.mod
  275. include/dftbplus/modfiles/dftbp_type_linkedlisti0.mod
  276. include/dftbplus/modfiles/dftbp_type_linkedlisti1.mod
  277. include/dftbplus/modfiles/dftbp_type_linkedlistlc0.mod
  278. include/dftbplus/modfiles/dftbp_type_linkedlistmc0.mod
  279. include/dftbplus/modfiles/dftbp_type_linkedlistr0.mod
  280. include/dftbplus/modfiles/dftbp_type_linkedlistr1.mod
  281. include/dftbplus/modfiles/dftbp_type_linkedlistr2.mod
  282. include/dftbplus/modfiles/dftbp_type_linkedlists0.mod
  283. include/dftbplus/modfiles/dftbp_type_multipole.mod
  284. include/dftbplus/modfiles/dftbp_type_oldskdata.mod
  285. include/dftbplus/modfiles/dftbp_type_orbitals.mod
  286. include/dftbplus/modfiles/dftbp_type_parallelks.mod
  287. include/dftbplus/modfiles/dftbp_type_typegeometry.mod
  288. include/dftbplus/modfiles/dftbp_type_typegeometryhsd.mod
  289. include/dftbplus/modfiles/dftbp_type_wrappedintr.mod
  290. include/dftbplus/modfiles/dftbplus.mod
  291. include/dftbplus/modfiles/fsockets.mod
  292. include/dftbplus/modfiles/xmlf90_buffer.mod
  293. include/dftbplus/modfiles/xmlf90_charset.mod
  294. include/dftbplus/modfiles/xmlf90_converters.mod
  295. include/dftbplus/modfiles/xmlf90_debug.mod
  296. include/dftbplus/modfiles/xmlf90_dictionary.mod
  297. include/dftbplus/modfiles/xmlf90_dom_attribute.mod
  298. include/dftbplus/modfiles/xmlf90_dom_debug.mod
  299. include/dftbplus/modfiles/xmlf90_dom_document.mod
  300. include/dftbplus/modfiles/xmlf90_dom_element.mod
  301. include/dftbplus/modfiles/xmlf90_dom_error.mod
  302. include/dftbplus/modfiles/xmlf90_dom_namednodemap.mod
  303. include/dftbplus/modfiles/xmlf90_dom_node.mod
  304. include/dftbplus/modfiles/xmlf90_dom_nodelist.mod
  305. include/dftbplus/modfiles/xmlf90_dom_parse.mod
  306. include/dftbplus/modfiles/xmlf90_dom_types.mod
  307. include/dftbplus/modfiles/xmlf90_dom_utils.mod
  308. include/dftbplus/modfiles/xmlf90_elstack.mod
  309. include/dftbplus/modfiles/xmlf90_entities.mod
  310. include/dftbplus/modfiles/xmlf90_flib_dom.mod
  311. include/dftbplus/modfiles/xmlf90_flib_sax.mod
  312. include/dftbplus/modfiles/xmlf90_flib_wxml.mod
  313. include/dftbplus/modfiles/xmlf90_fsm.mod
  314. include/dftbplus/modfiles/xmlf90_io.mod
  315. include/dftbplus/modfiles/xmlf90_reader.mod
  316. include/dftbplus/modfiles/xmlf90_strings.mod
  317. include/dftbplus/modfiles/xmlf90_wxml_buffer.mod
  318. include/dftbplus/modfiles/xmlf90_wxml_core.mod
  319. include/dftbplus/modfiles/xmlf90_wxml_dictionary.mod
  320. include/dftbplus/modfiles/xmlf90_wxml_elstack.mod
  321. include/dftbplus/modfiles/xmlf90_wxml_text.mod
  322. include/dftbplus/modfiles/xmlf90_xml_error.mod
  323. include/dftbplus/modfiles/xmlf90_xml_parser.mod
  324. lib/cmake/dftbplus/Modules/CustomLibraryFinder.cmake
  325. lib/cmake/dftbplus/Modules/FindCustomArpack.cmake
  326. lib/cmake/dftbplus/Modules/FindCustomBlas.cmake
  327. lib/cmake/dftbplus/Modules/FindCustomLapack.cmake
  328. lib/cmake/dftbplus/Modules/FindCustomMagma.cmake
  329. lib/cmake/dftbplus/Modules/FindCustomPlumed.cmake
  330. lib/cmake/dftbplus/Modules/FindCustomScalapack.cmake
  331. lib/cmake/dftbplus/Modules/Findelsi.cmake
  332. lib/cmake/dftbplus/dftbplus-config-version.cmake
  333. lib/cmake/dftbplus/dftbplus-config.cmake
  334. lib/cmake/dftbplus/dftbplus-targets-release.cmake
  335. lib/cmake/dftbplus/dftbplus-targets.cmake
  336. lib/libdftbplus.so
  337. lib/libmudpack.so
  338. libdata/pkgconfig/dftbplus.pc
  339. @owner
  340. @group
  341. @mode
Collapse this list.
Dependency lines:
  • dftbplus>0:science/dftbplus
To install the port:
cd /usr/ports/science/dftbplus/ && make install clean
To add the package, run one of these commands:
  • pkg install science/dftbplus
  • pkg install dftbplus
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: dftbplus
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1689128954 SHA256 (dftbplus-dftbplus-23.1_GH0.tar.gz) = e3dfc60f533438fcaac394ad41fff5a5e46a3ae94bfa1a5fd05f71240cf70345 SIZE (dftbplus-dftbplus-23.1_GH0.tar.gz) = 5882282

Expand this list (6 items)

Collapse this list.

SHA256 (aradi-fytest-94e05ac_GH0.tar.gz) = f29e91bb0a002ded95108091d4b2d20d99a6c4e465e068b1ec24252e1b4e4141 SIZE (aradi-fytest-94e05ac_GH0.tar.gz) = 16503 SHA256 (dftbplus-testparams-cd7536f_GH0.tar.gz) = 73bfe7b631afa5fbedeb534228afe0f210cb44fdf48d916b66c7ba40d6327ca3 SIZE (dftbplus-testparams-cd7536f_GH0.tar.gz) = 24900261 SHA256 (dftd4-dftd4-056491b_GH0.tar.gz) = 49f2c03a6bf2ad524cf452ba5d210aef86307dd3750a5aa5ee9d2dab8c5f05d8 SIZE (dftd4-dftd4-056491b_GH0.tar.gz) = 355267

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Packages (timestamps in pop-ups are UTC):
dftbplus
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-23.1_4------
FreeBSD:13:quarterly-23.1_4------
FreeBSD:14:latest-23.1_4------
FreeBSD:14:quarterly-23.1_4------
FreeBSD:15:latest-23.1_4n/a-n/a---
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. cmake : devel/cmake-core
  2. gfortran12 : lang/gcc12
  3. pkgconf>=1.3.0_1 : devel/pkgconf
  4. python3.9 : lang/python39
  5. gcc12 : lang/gcc12
  6. as : devel/binutils
Test dependencies:
  1. bash : shells/bash
Runtime dependencies:
  1. py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
  2. gfortran12 : lang/gcc12
  3. gcc12 : lang/gcc12
Library dependencies:
  1. libblas.so : math/blas
  2. liblapack.so : math/lapack
  3. libopenblas.so : math/openblas
  4. libchimescalc.so : science/chimes-calculator
  5. libs-dftd3.so : science/simple-dftd3
  6. libmctc-lib.so : science/mctc-lib
  7. libmstore.so : science/mstore
  8. libtoml-f.so : textproc/toml-f
  9. libmbd.so : science/libmbd
  10. libmpich.so : net/mpich
  11. libmpifx.so : net/mpifx
  12. libscalapack.so : math/scalapack
  13. libscalapackfx.so : math/scalapackfx
  14. libplumed.so : science/plumed
  15. libnegf.so : science/libnegf
  16. libmpi.so : net/mpich
  17. libmpifx.so : net/mpifx
  18. libmpich.so : net/mpich
This port is required by:
for Run
  1. science/py-dftbplus
Configuration Options:
===> The following configuration options are available for dftbplus-23.1_4: ARPACK=off: Build with ARPACK for large eigenvalue problems CHIMES=on: Build with ChIMES DFTD3=on: Build with s-dft3 MBD=on: Build with many-body-dispersion support MPIX=on: MPI (Message Passing Interface) support PLUMED=on: Do metadynamics via the PLUMED2 library POISSON=on: Include Poisson-solver PYTHON=off: Python bindings or support SOCKETS=on: Build with sockets library TBLITE=off: Include xTB support via tblite TRANSPORT=on: Transport via libNEGF ===> Use 'make config' to modify these settings
Options name:
science_dftbplus
USES:
cmake compiler:gcc-c++11-lib fortran pkgconfig python:build shebangfix mpi:mpich
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/dftbplus/dftbplus/tar.gz/23.1?dummy=/
Collapse this list.

There are no commits on branch 2022Q2 for this port
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