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Port details
dftbplus DFTB+: Package for performing fast atomistic simulations
22.1_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: 2018-09-12 22:25:35
Last Update: 2022-09-07 21:58:51
Commit Hash: fb16dfe
License: GPLv3
Description:
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb
pkg-plist: as obtained via: make generate-plist
Expand this list (335 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/dftbplus-22.1_1/catalog.mk
  3. /usr/local/share/licenses/dftbplus-22.1_1/LICENSE
  4. /usr/local/share/licenses/dftbplus-22.1_1/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_environment.mod
  32. include/dftbplus/modfiles/dftbp_common_file.mod
  33. include/dftbplus/modfiles/dftbp_common_filesystem.mod
  34. include/dftbplus/modfiles/dftbp_common_globalenv.mod
  35. include/dftbplus/modfiles/dftbp_common_hamiltoniantypes.mod
  36. include/dftbplus/modfiles/dftbp_common_memman.mod
  37. include/dftbplus/modfiles/dftbp_common_mpienv.mod
  38. include/dftbplus/modfiles/dftbp_common_optarg.mod
  39. include/dftbplus/modfiles/dftbp_common_schedule.mod
  40. include/dftbplus/modfiles/dftbp_common_status.mod
  41. include/dftbplus/modfiles/dftbp_common_timer.mod
  42. include/dftbplus/modfiles/dftbp_common_timerarray.mod
  43. include/dftbplus/modfiles/dftbp_common_unitconversion.mod
  44. include/dftbplus/modfiles/dftbp_common_version.mod
  45. include/dftbplus/modfiles/dftbp_derivs_fermihelper.mod
  46. include/dftbplus/modfiles/dftbp_derivs_linearresponse.mod
  47. include/dftbplus/modfiles/dftbp_derivs_numderivs2.mod
  48. include/dftbplus/modfiles/dftbp_derivs_perturb.mod
  49. include/dftbplus/modfiles/dftbp_derivs_rotatedegen.mod
  50. include/dftbplus/modfiles/dftbp_dftb_blockpothelper.mod
  51. include/dftbplus/modfiles/dftbp_dftb_bondpopulations.mod
  52. include/dftbplus/modfiles/dftbp_dftb_boundarycond.mod
  53. include/dftbplus/modfiles/dftbp_dftb_chargeconstr.mod
  54. include/dftbplus/modfiles/dftbp_dftb_charges.mod
  55. include/dftbplus/modfiles/dftbp_dftb_coordnumber.mod
  56. include/dftbplus/modfiles/dftbp_dftb_coulomb.mod
  57. include/dftbplus/modfiles/dftbp_dftb_dense.mod
  58. include/dftbplus/modfiles/dftbp_dftb_densitymatrix.mod
  59. include/dftbplus/modfiles/dftbp_dftb_determinants.mod
  60. include/dftbplus/modfiles/dftbp_dftb_dftbplusu.mod
  61. include/dftbplus/modfiles/dftbp_dftb_dftd3param.mod
  62. include/dftbplus/modfiles/dftbp_dftb_dftd4param.mod
  63. include/dftbplus/modfiles/dftbp_dftb_dispcommon.mod
  64. include/dftbplus/modfiles/dftbp_dftb_dispdftd4.mod
  65. include/dftbplus/modfiles/dftbp_dftb_dispersions.mod
  66. include/dftbplus/modfiles/dftbp_dftb_dispiface.mod
  67. include/dftbplus/modfiles/dftbp_dftb_dispmbd.mod
  68. include/dftbplus/modfiles/dftbp_dftb_dispslaterkirkw.mod
  69. include/dftbplus/modfiles/dftbp_dftb_dispuff.mod
  70. include/dftbplus/modfiles/dftbp_dftb_dispuffdata.mod
  71. include/dftbplus/modfiles/dftbp_dftb_elecconstraints.mod
  72. include/dftbplus/modfiles/dftbp_dftb_elstatpot.mod
  73. include/dftbplus/modfiles/dftbp_dftb_encharges.mod
  74. include/dftbplus/modfiles/dftbp_dftb_energytypes.mod
  75. include/dftbplus/modfiles/dftbp_dftb_etemp.mod
  76. include/dftbplus/modfiles/dftbp_dftb_extcharges.mod
  77. include/dftbplus/modfiles/dftbp_dftb_extfields.mod
  78. include/dftbplus/modfiles/dftbp_dftb_forces.mod
  79. include/dftbplus/modfiles/dftbp_dftb_getenergies.mod
  80. include/dftbplus/modfiles/dftbp_dftb_h5correction.mod
  81. include/dftbplus/modfiles/dftbp_dftb_halogenx.mod
  82. include/dftbplus/modfiles/dftbp_dftb_hamiltonian.mod
  83. include/dftbplus/modfiles/dftbp_dftb_nonscc.mod
  84. include/dftbplus/modfiles/dftbp_dftb_onsitecorrection.mod
  85. include/dftbplus/modfiles/dftbp_dftb_orbitalequiv.mod
  86. include/dftbplus/modfiles/dftbp_dftb_periodic.mod
  87. include/dftbplus/modfiles/dftbp_dftb_pmlocalisation.mod
  88. include/dftbplus/modfiles/dftbp_dftb_populations.mod
  89. include/dftbplus/modfiles/dftbp_dftb_potentials.mod
  90. include/dftbplus/modfiles/dftbp_dftb_rangeseparated.mod
  91. include/dftbplus/modfiles/dftbp_dftb_repulsive_chimesrep.mod
  92. include/dftbplus/modfiles/dftbp_dftb_repulsive_pairrepulsive.mod
  93. include/dftbplus/modfiles/dftbp_dftb_repulsive_polyrep.mod
  94. include/dftbplus/modfiles/dftbp_dftb_repulsive_repulsive.mod
  95. include/dftbplus/modfiles/dftbp_dftb_repulsive_repulsivecont.mod
  96. include/dftbplus/modfiles/dftbp_dftb_repulsive_repulsivelist.mod
  97. include/dftbplus/modfiles/dftbp_dftb_repulsive_splinerep.mod
  98. include/dftbplus/modfiles/dftbp_dftb_repulsive_twobodyrep.mod
  99. include/dftbplus/modfiles/dftbp_dftb_scc.mod
  100. include/dftbplus/modfiles/dftbp_dftb_sccinit.mod
  101. include/dftbplus/modfiles/dftbp_dftb_shift.mod
  102. include/dftbplus/modfiles/dftbp_dftb_shortgamma.mod
  103. include/dftbplus/modfiles/dftbp_dftb_shortgammafuncs.mod
  104. include/dftbplus/modfiles/dftbp_dftb_simpledftd3.mod
  105. include/dftbplus/modfiles/dftbp_dftb_sk.mod
  106. include/dftbplus/modfiles/dftbp_dftb_slakocont.mod
  107. include/dftbplus/modfiles/dftbp_dftb_slakoeqgrid.mod
  108. include/dftbplus/modfiles/dftbp_dftb_sparse2dense.mod
  109. include/dftbplus/modfiles/dftbp_dftb_spin.mod
  110. include/dftbplus/modfiles/dftbp_dftb_spinorbit.mod
  111. include/dftbplus/modfiles/dftbp_dftb_stress.mod
  112. include/dftbplus/modfiles/dftbp_dftb_thirdorder.mod
  113. include/dftbplus/modfiles/dftbp_dftb_uniquehubbard.mod
  114. include/dftbplus/modfiles/dftbp_dftb_vdwdata.mod
  115. include/dftbplus/modfiles/dftbp_dftbplus_eigenvects.mod
  116. include/dftbplus/modfiles/dftbp_dftbplus_elstattypes.mod
  117. include/dftbplus/modfiles/dftbp_dftbplus_forcetypes.mod
  118. include/dftbplus/modfiles/dftbp_dftbplus_hsdhelpers.mod
  119. include/dftbplus/modfiles/dftbp_dftbplus_initprogram.mod
  120. include/dftbplus/modfiles/dftbp_dftbplus_input_geoopt.mod
  121. include/dftbplus/modfiles/dftbp_dftbplus_inputconversion.mod
  122. include/dftbplus/modfiles/dftbp_dftbplus_inputdata.mod
  123. include/dftbplus/modfiles/dftbp_dftbplus_main.mod
  124. include/dftbplus/modfiles/dftbp_dftbplus_mainapi.mod
  125. include/dftbplus/modfiles/dftbp_dftbplus_mainio.mod
  126. include/dftbplus/modfiles/dftbp_dftbplus_oldcompat.mod
  127. include/dftbplus/modfiles/dftbp_dftbplus_outputfiles.mod
  128. include/dftbplus/modfiles/dftbp_dftbplus_parser.mod
  129. include/dftbplus/modfiles/dftbp_dftbplus_qdepextpotgen.mod
  130. include/dftbplus/modfiles/dftbp_dftbplus_qdepextpotgenc.mod
  131. include/dftbplus/modfiles/dftbp_dftbplus_qdepextpotproxy.mod
  132. include/dftbplus/modfiles/dftbp_dftbplus_specieslist.mod
  133. include/dftbplus/modfiles/dftbp_dftbplus_transportio.mod
  134. include/dftbplus/modfiles/dftbp_elecsolvers_elecsolvers.mod
  135. include/dftbplus/modfiles/dftbp_elecsolvers_elecsolvertypes.mod
  136. include/dftbplus/modfiles/dftbp_elecsolvers_elsicsc.mod
  137. include/dftbplus/modfiles/dftbp_elecsolvers_elsisolver.mod
  138. include/dftbplus/modfiles/dftbp_extlibs_arpack.mod
  139. include/dftbplus/modfiles/dftbp_extlibs_blas.mod
  140. include/dftbplus/modfiles/dftbp_extlibs_chimes.mod
  141. include/dftbplus/modfiles/dftbp_extlibs_ddcosmo.mod
  142. include/dftbplus/modfiles/dftbp_extlibs_dftd4refs.mod
  143. include/dftbplus/modfiles/dftbp_extlibs_elsiiface.mod
  144. include/dftbplus/modfiles/dftbp_extlibs_fsockets.mod
  145. include/dftbplus/modfiles/dftbp_extlibs_lapack.mod
  146. include/dftbplus/modfiles/dftbp_extlibs_lebedev.mod
  147. include/dftbplus/modfiles/dftbp_extlibs_magma.mod
  148. include/dftbplus/modfiles/dftbp_extlibs_mpifx.mod
  149. include/dftbplus/modfiles/dftbp_extlibs_negf.mod
  150. include/dftbplus/modfiles/dftbp_extlibs_plumed.mod
  151. include/dftbplus/modfiles/dftbp_extlibs_poisson.mod
  152. include/dftbplus/modfiles/dftbp_extlibs_scalapackfx.mod
  153. include/dftbplus/modfiles/dftbp_extlibs_sdftd3.mod
  154. include/dftbplus/modfiles/dftbp_extlibs_tblite.mod
  155. include/dftbplus/modfiles/dftbp_extlibs_xmlf90.mod
  156. include/dftbplus/modfiles/dftbp_geoopt_conjgrad.mod
  157. include/dftbplus/modfiles/dftbp_geoopt_filter.mod
  158. include/dftbplus/modfiles/dftbp_geoopt_fire.mod
  159. include/dftbplus/modfiles/dftbp_geoopt_gdiis.mod
  160. include/dftbplus/modfiles/dftbp_geoopt_geoopt.mod
  161. include/dftbplus/modfiles/dftbp_geoopt_lbfgs.mod
  162. include/dftbplus/modfiles/dftbp_geoopt_lbfgs2.mod
  163. include/dftbplus/modfiles/dftbp_geoopt_linemin.mod
  164. include/dftbplus/modfiles/dftbp_geoopt_optimizer.mod
  165. include/dftbplus/modfiles/dftbp_geoopt_package.mod
  166. include/dftbplus/modfiles/dftbp_geoopt_rationalfunc.mod
  167. include/dftbplus/modfiles/dftbp_geoopt_steepdesc.mod
  168. include/dftbplus/modfiles/dftbp_hsdapi.mod
  169. include/dftbplus/modfiles/dftbp_io_charmanip.mod
  170. include/dftbplus/modfiles/dftbp_io_commonformats.mod
  171. include/dftbplus/modfiles/dftbp_io_formatout.mod
  172. include/dftbplus/modfiles/dftbp_io_hsdparser.mod
  173. include/dftbplus/modfiles/dftbp_io_hsdutils.mod
  174. include/dftbplus/modfiles/dftbp_io_hsdutils2.mod
  175. include/dftbplus/modfiles/dftbp_io_indexselection.mod
  176. include/dftbplus/modfiles/dftbp_io_intrinsicpr.mod
  177. include/dftbplus/modfiles/dftbp_io_ipisocket.mod
  178. include/dftbplus/modfiles/dftbp_io_logger.mod
  179. include/dftbplus/modfiles/dftbp_io_message.mod
  180. include/dftbplus/modfiles/dftbp_io_taggedoutput.mod
  181. include/dftbplus/modfiles/dftbp_io_tokenreader.mod
  182. include/dftbplus/modfiles/dftbp_io_xmlutils.mod
  183. include/dftbplus/modfiles/dftbp_math_angmomentum.mod
  184. include/dftbplus/modfiles/dftbp_math_bisect.mod
  185. include/dftbplus/modfiles/dftbp_math_blasroutines.mod
  186. include/dftbplus/modfiles/dftbp_math_degeneracy.mod
  187. include/dftbplus/modfiles/dftbp_math_determinant.mod
  188. include/dftbplus/modfiles/dftbp_math_duplicate.mod
  189. include/dftbplus/modfiles/dftbp_math_eigensolver.mod
  190. include/dftbplus/modfiles/dftbp_math_erfcalc.mod
  191. include/dftbplus/modfiles/dftbp_math_errorfunction.mod
  192. include/dftbplus/modfiles/dftbp_math_f08math.mod
  193. include/dftbplus/modfiles/dftbp_math_factorial.mod
  194. include/dftbplus/modfiles/dftbp_math_hermite.mod
  195. include/dftbplus/modfiles/dftbp_math_interpolation.mod
  196. include/dftbplus/modfiles/dftbp_math_lapackroutines.mod
  197. include/dftbplus/modfiles/dftbp_math_qm.mod
  198. include/dftbplus/modfiles/dftbp_math_quaternions.mod
  199. include/dftbplus/modfiles/dftbp_math_randomgenpool.mod
  200. include/dftbplus/modfiles/dftbp_math_ranlux.mod
  201. include/dftbplus/modfiles/dftbp_math_scalafxext.mod
  202. include/dftbplus/modfiles/dftbp_math_simplealgebra.mod
  203. include/dftbplus/modfiles/dftbp_math_sorting.mod
  204. include/dftbplus/modfiles/dftbp_math_sparseblas.mod
  205. include/dftbplus/modfiles/dftbp_md_andersentherm.mod
  206. include/dftbplus/modfiles/dftbp_md_berendsentherm.mod
  207. include/dftbplus/modfiles/dftbp_md_dummytherm.mod
  208. include/dftbplus/modfiles/dftbp_md_extlagrangian.mod
  209. include/dftbplus/modfiles/dftbp_md_mdcommon.mod
  210. include/dftbplus/modfiles/dftbp_md_mdintegrator.mod
  211. include/dftbplus/modfiles/dftbp_md_nhctherm.mod
  212. include/dftbplus/modfiles/dftbp_md_tempprofile.mod
  213. include/dftbplus/modfiles/dftbp_md_thermostat.mod
  214. include/dftbplus/modfiles/dftbp_md_velocityverlet.mod
  215. include/dftbplus/modfiles/dftbp_md_xlbomd.mod
  216. include/dftbplus/modfiles/dftbp_mixer_andersonmixer.mod
  217. include/dftbplus/modfiles/dftbp_mixer_broydenmixer.mod
  218. include/dftbplus/modfiles/dftbp_mixer_diismixer.mod
  219. include/dftbplus/modfiles/dftbp_mixer_mixer.mod
  220. include/dftbplus/modfiles/dftbp_mixer_simplemixer.mod
  221. include/dftbplus/modfiles/dftbp_mmapi.mod
  222. include/dftbplus/modfiles/dftbp_poisson_bulkpot.mod
  223. include/dftbplus/modfiles/dftbp_poisson_fancybc.mod
  224. include/dftbplus/modfiles/dftbp_poisson_gallocation.mod
  225. include/dftbplus/modfiles/dftbp_poisson_gewald.mod
  226. include/dftbplus/modfiles/dftbp_poisson_mpi_poisson.mod
  227. include/dftbplus/modfiles/dftbp_poisson_parameters.mod
  228. include/dftbplus/modfiles/dftbp_poisson_parcheck.mod
  229. include/dftbplus/modfiles/dftbp_poisson_poisson.mod
  230. include/dftbplus/modfiles/dftbp_poisson_structure.mod
  231. include/dftbplus/modfiles/dftbp_reks_reks.mod
  232. include/dftbplus/modfiles/dftbp_reks_rekscommon.mod
  233. include/dftbplus/modfiles/dftbp_reks_rekscpeqn.mod
  234. include/dftbplus/modfiles/dftbp_reks_reksen.mod
  235. include/dftbplus/modfiles/dftbp_reks_reksfon.mod
  236. include/dftbplus/modfiles/dftbp_reks_reksgrad.mod
  237. include/dftbplus/modfiles/dftbp_reks_reksinterface.mod
  238. include/dftbplus/modfiles/dftbp_reks_reksio.mod
  239. include/dftbplus/modfiles/dftbp_reks_reksproperty.mod
  240. include/dftbplus/modfiles/dftbp_reks_reksvar.mod
  241. include/dftbplus/modfiles/dftbp_solvation_born.mod
  242. include/dftbplus/modfiles/dftbp_solvation_cm5.mod
  243. include/dftbplus/modfiles/dftbp_solvation_cosmo.mod
  244. include/dftbplus/modfiles/dftbp_solvation_fieldscaling.mod
  245. include/dftbplus/modfiles/dftbp_solvation_gbsafile.mod
  246. include/dftbplus/modfiles/dftbp_solvation_sasa.mod
  247. include/dftbplus/modfiles/dftbp_solvation_solvation.mod
  248. include/dftbplus/modfiles/dftbp_solvation_solvdata.mod
  249. include/dftbplus/modfiles/dftbp_solvation_solventdata.mod
  250. include/dftbplus/modfiles/dftbp_solvation_solvinput.mod
  251. include/dftbplus/modfiles/dftbp_solvation_solvparser.mod
  252. include/dftbplus/modfiles/dftbp_timedep_dynamicsrestart.mod
  253. include/dftbplus/modfiles/dftbp_timedep_linresp.mod
  254. include/dftbplus/modfiles/dftbp_timedep_linrespcommon.mod
  255. include/dftbplus/modfiles/dftbp_timedep_linrespgrad.mod
  256. include/dftbplus/modfiles/dftbp_timedep_linresptypes.mod
  257. include/dftbplus/modfiles/dftbp_timedep_pprpa.mod
  258. include/dftbplus/modfiles/dftbp_timedep_timeprop.mod
  259. include/dftbplus/modfiles/dftbp_timedep_transcharges.mod
  260. include/dftbplus/modfiles/dftbp_transport_matconv.mod
  261. include/dftbplus/modfiles/dftbp_transport_negfint.mod
  262. include/dftbplus/modfiles/dftbp_transport_negfvars.mod
  263. include/dftbplus/modfiles/dftbp_type_commontypes.mod
  264. include/dftbplus/modfiles/dftbp_type_densedescr.mod
  265. include/dftbplus/modfiles/dftbp_type_dynneighlist.mod
  266. include/dftbplus/modfiles/dftbp_type_integral.mod
  267. include/dftbplus/modfiles/dftbp_type_latpointiter.mod
  268. include/dftbplus/modfiles/dftbp_type_linkedlist.mod
  269. include/dftbplus/modfiles/dftbp_type_linkedlisti0.mod
  270. include/dftbplus/modfiles/dftbp_type_linkedlisti1.mod
  271. include/dftbplus/modfiles/dftbp_type_linkedlistlc0.mod
  272. include/dftbplus/modfiles/dftbp_type_linkedlistmc0.mod
  273. include/dftbplus/modfiles/dftbp_type_linkedlistr0.mod
  274. include/dftbplus/modfiles/dftbp_type_linkedlistr1.mod
  275. include/dftbplus/modfiles/dftbp_type_linkedlistr2.mod
  276. include/dftbplus/modfiles/dftbp_type_linkedlists0.mod
  277. include/dftbplus/modfiles/dftbp_type_multipole.mod
  278. include/dftbplus/modfiles/dftbp_type_oldskdata.mod
  279. include/dftbplus/modfiles/dftbp_type_orbitals.mod
  280. include/dftbplus/modfiles/dftbp_type_parallelks.mod
  281. include/dftbplus/modfiles/dftbp_type_typegeometry.mod
  282. include/dftbplus/modfiles/dftbp_type_typegeometryhsd.mod
  283. include/dftbplus/modfiles/dftbp_type_wrappedintr.mod
  284. include/dftbplus/modfiles/dftbplus.mod
  285. include/dftbplus/modfiles/fsockets.mod
  286. include/dftbplus/modfiles/xmlf90_buffer.mod
  287. include/dftbplus/modfiles/xmlf90_charset.mod
  288. include/dftbplus/modfiles/xmlf90_converters.mod
  289. include/dftbplus/modfiles/xmlf90_debug.mod
  290. include/dftbplus/modfiles/xmlf90_dictionary.mod
  291. include/dftbplus/modfiles/xmlf90_dom_attribute.mod
  292. include/dftbplus/modfiles/xmlf90_dom_debug.mod
  293. include/dftbplus/modfiles/xmlf90_dom_document.mod
  294. include/dftbplus/modfiles/xmlf90_dom_element.mod
  295. include/dftbplus/modfiles/xmlf90_dom_error.mod
  296. include/dftbplus/modfiles/xmlf90_dom_namednodemap.mod
  297. include/dftbplus/modfiles/xmlf90_dom_node.mod
  298. include/dftbplus/modfiles/xmlf90_dom_nodelist.mod
  299. include/dftbplus/modfiles/xmlf90_dom_parse.mod
  300. include/dftbplus/modfiles/xmlf90_dom_types.mod
  301. include/dftbplus/modfiles/xmlf90_dom_utils.mod
  302. include/dftbplus/modfiles/xmlf90_elstack.mod
  303. include/dftbplus/modfiles/xmlf90_entities.mod
  304. include/dftbplus/modfiles/xmlf90_flib_dom.mod
  305. include/dftbplus/modfiles/xmlf90_flib_sax.mod
  306. include/dftbplus/modfiles/xmlf90_flib_wxml.mod
  307. include/dftbplus/modfiles/xmlf90_fsm.mod
  308. include/dftbplus/modfiles/xmlf90_io.mod
  309. include/dftbplus/modfiles/xmlf90_reader.mod
  310. include/dftbplus/modfiles/xmlf90_strings.mod
  311. include/dftbplus/modfiles/xmlf90_wxml_buffer.mod
  312. include/dftbplus/modfiles/xmlf90_wxml_core.mod
  313. include/dftbplus/modfiles/xmlf90_wxml_dictionary.mod
  314. include/dftbplus/modfiles/xmlf90_wxml_elstack.mod
  315. include/dftbplus/modfiles/xmlf90_wxml_text.mod
  316. include/dftbplus/modfiles/xmlf90_xml_error.mod
  317. include/dftbplus/modfiles/xmlf90_xml_parser.mod
  318. lib/cmake/dftbplus/Modules/CustomLibraryFinder.cmake
  319. lib/cmake/dftbplus/Modules/FindCustomArpack.cmake
  320. lib/cmake/dftbplus/Modules/FindCustomBlas.cmake
  321. lib/cmake/dftbplus/Modules/FindCustomLapack.cmake
  322. lib/cmake/dftbplus/Modules/FindCustomMagma.cmake
  323. lib/cmake/dftbplus/Modules/FindCustomPlumed.cmake
  324. lib/cmake/dftbplus/Modules/FindCustomScalapack.cmake
  325. lib/cmake/dftbplus/Modules/Findelsi.cmake
  326. lib/cmake/dftbplus/dftbplus-config-version.cmake
  327. lib/cmake/dftbplus/dftbplus-config.cmake
  328. lib/cmake/dftbplus/dftbplus-targets-release.cmake
  329. lib/cmake/dftbplus/dftbplus-targets.cmake
  330. lib/libdftbplus.so
  331. lib/libmudpack.so
  332. libdata/pkgconfig/dftbplus.pc
  333. @owner
  334. @group
  335. @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:

Packages (timestamps in pop-ups are UTC):
dftbplus
ABIlatestquarterly
FreeBSD:11:aarch64pkg-falloutpkg-fallout
FreeBSD:11:amd6419.1_119.1_1
FreeBSD:11:armv6pkg-falloutpkg-fallout
FreeBSD:11:i386pkg-falloutpkg-fallout
FreeBSD:11:mipspkg-falloutpkg-fallout
FreeBSD:11:mips64pkg-falloutpkg-fallout
FreeBSD:12:aarch64pkg-falloutpkg-fallout
FreeBSD:12:amd6422.1_122.1_1
FreeBSD:12:armv6pkg-falloutpkg-fallout
FreeBSD:12:armv7pkg-falloutpkg-fallout
FreeBSD:12:i386pkg-falloutpkg-fallout
FreeBSD:12:mipspkg-falloutpkg-fallout
FreeBSD:12:mips64pkg-falloutpkg-fallout
FreeBSD:12:powerpc64pkg-falloutpkg-fallout
FreeBSD:13:aarch64pkg-falloutpkg-fallout
FreeBSD:13:amd6422.1_122.1_1
FreeBSD:13:armv6pkg-falloutpkg-fallout
FreeBSD:13:armv7pkg-falloutpkg-fallout
FreeBSD:13:i386pkg-falloutpkg-fallout
FreeBSD:13:mipspkg-falloutpkg-fallout
FreeBSD:13:mips64pkg-falloutpkg-fallout
FreeBSD:13:powerpc64pkg-falloutpkg-fallout
FreeBSD:13:riscv64pkg-falloutpkg-fallout
FreeBSD:14:aarch64pkg-falloutpkg-fallout
FreeBSD:14:amd6422.1_1pkg-fallout
FreeBSD:14:armv6pkg-falloutpkg-fallout
FreeBSD:14:armv7pkg-falloutpkg-fallout
FreeBSD:14:i386pkg-falloutpkg-fallout
FreeBSD:14:mipspkg-falloutpkg-fallout
FreeBSD:14:mips64pkg-falloutpkg-fallout
FreeBSD:14:powerpc6422.1_1pkg-fallout
FreeBSD:14:riscv64pkg-falloutpkg-fallout
 

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
Runtime dependencies:
  1. py39-numpy>=1.16,1<1.24,1 : 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
There are no ports dependent upon this port

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://codeload.github.com/dftbplus/dftbplus/tar.gz/22.1?dummy=/
Collapse this list.

Number of commits found: 30

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
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)
22.1_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)
22.1_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
22.1
04 Jul 2022 00:00:33
commit hash:028028ffbc6d1de41f6a60d385b28f5bda4b0d50commit hash:028028ffbc6d1de41f6a60d385b28f5bda4b0d50commit hash:028028ffbc6d1de41f6a60d385b28f5bda4b0d50commit hash:028028ffbc6d1de41f6a60d385b28f5bda4b0d50 files touched by this commit
Piotr Kubaj (pkubaj) search for other commits by this committer
science/dftbplus: unbreak on powerpc* / main

Builds fine.
22.1
26 May 2022 06:52:58
commit hash:4625eec0284e80917e1051fa7819f3eb829794e0commit hash:4625eec0284e80917e1051fa7819f3eb829794e0commit hash:4625eec0284e80917e1051fa7819f3eb829794e0commit hash:4625eec0284e80917e1051fa7819f3eb829794e0 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dftbplus: Update 21.2 -> 22.1

Major overhaul:
- add many options for dependencies
- use external packages instead of bundled dependencies

Reported by:	portscout
21.2_1
16 Jan 2022 23:30:33
commit hash:0f99d93f3e311f43e590fbfe4e08f27e4be42613commit hash:0f99d93f3e311f43e590fbfe4e08f27e4be42613commit hash:0f99d93f3e311f43e590fbfe4e08f27e4be42613commit hash:0f99d93f3e311f43e590fbfe4e08f27e4be42613 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dftbplus: Fix tests
21.2
16 Jan 2022 16:31:51
commit hash:665283cef4841a45c0c704c690f26303ce167d13commit hash:665283cef4841a45c0c704c690f26303ce167d13commit hash:665283cef4841a45c0c704c690f26303ce167d13commit hash:665283cef4841a45c0c704c690f26303ce167d13 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dftbplus: Update 19.1 -> 21.2
19.1_1
25 May 2021 11:06:44
commit hash:5001a29cb85d3a178109b7bebe931521f1db8ea6commit hash:5001a29cb85d3a178109b7bebe931521f1db8ea6commit hash:5001a29cb85d3a178109b7bebe931521f1db8ea6commit hash:5001a29cb85d3a178109b7bebe931521f1db8ea6 files touched by this commit
Piotr Kubaj (pkubaj) search for other commits by this committer
science/dftbplus: fix BROKEN message
19.1_1
19 May 2021 04:07:42
commit hash:443d7c91488ed6e654cafa0716dc550683296af4commit hash:443d7c91488ed6e654cafa0716dc550683296af4commit hash:443d7c91488ed6e654cafa0716dc550683296af4commit hash:443d7c91488ed6e654cafa0716dc550683296af4 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dftbplus: Broken on aarch64, powerpc* due to lack of IEEE754 support in
gcc
19.1_1
14 May 2021 21:29:29
commit hash:92aae631f98dba62cc404a8a9ec47cf60348f4decommit hash:92aae631f98dba62cc404a8a9ec47cf60348f4decommit hash:92aae631f98dba62cc404a8a9ec47cf60348f4decommit hash:92aae631f98dba62cc404a8a9ec47cf60348f4de files touched by this commit
Mark Linimon (linimon) search for other commits by this committer
science/dftbplus: mark BROKEN the same way on powerc64le/aarch64

  as already marked on powerpc64.

Approved by:	portmgr (tier-2 blanket)
19.1_1
07 Apr 2021 08:09:01
commit hash:cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash:cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash:cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash:cf118ccf875508b9a1c570044c93cfcc82bd455c files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
19.1_1
06 Apr 2021 14:31:07
commit hash:305f148f482daf30dcf728039d03d019f88344ebcommit hash:305f148f482daf30dcf728039d03d019f88344ebcommit hash:305f148f482daf30dcf728039d03d019f88344ebcommit hash:305f148f482daf30dcf728039d03d019f88344eb files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
19.1_1
17 Nov 2020 22:28:17
Revision:555600Original commit files touched by this commit
linimon search for other commits by this committer
Add workaround for new failure with Fortran GCC 10 frontend:

  Type mismatch between actual argument at (1) and actual argument at (2)
(COMPLEX(8)/CHARACTER(*)).

PR:		246700
Approved by:	maintainer
19.1_1
20 May 2020 00:36:40
Revision:535961Original commit files touched by this commit
yuri search for other commits by this committer
science/dftbplus: Change to python3.
19.1
18 May 2020 01:32:36
Revision:535704Original commit files touched by this commit
linimon search for other commits by this committer
Mark as BROKEN on powerpc64:

  lbfgs.f90:18:19:
   18 |   use, intrinsic :: ieee_arithmetic
  Fatal Error: Cannot find an intrinsic module named 'ieee_arithmetic' at (1)

Approved by:	portmgr (tier-2 blanket)
19.1
23 Feb 2020 15:25:53
Revision:526925Original commit files touched by this commit
antoine search for other commits by this committer
Deprecate a few ports

With hat:	portmgr
19.1
03 Aug 2019 19:59:35
Revision:507991Original commit files touched by this commit
yuri search for other commits by this committer
science/dftbplus: Update 18.2 -> 19.1

Reported by:	portscout
18.2_8
26 Jul 2019 20:46:57
Revision:507372Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3
to GCC 9.1 under most circumstances now after revision 507371.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, everything INDEX-11 shows with a dependency on lang/gcc9 now.

PR:		238330
18.2_7
03 Jul 2019 10:05:47
Revision:505742Original commit files touched by this commit
tobik search for other commits by this committer
science/dftbplus: Unbreak build with GCC 9

/usr/local/bin/ld: coulomb.o: in function `__coulomb_MOD_invrstress._omp_fn.0':
coulomb.f90:(.text+0x42): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_start'
/usr/local/bin/ld: coulomb.f90:(.text+0x176): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_next'
/usr/local/bin/ld: coulomb.o: in function `__coulomb_MOD_invrstress._omp_fn.1':
coulomb.f90:(.text+0xfbc): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_start'
/usr/local/bin/ld: coulomb.f90:(.text+0x1172): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_next'
[...]

PR:		238666
Submitted by:	jbeich
Reported by:	antoine (via exp-run in PR 238330)
Approved by:	yuri (maintainer timeout, 2 weeks)
18.2_6
19 May 2019 02:47:01
Revision:502009Original commit files touched by this commit
yuri search for other commits by this committer
science/dftbplus: Fix libomp.so in LDFLAGS (this also might fix the breakage on
13)
18.2_6
08 May 2019 16:05:53
Revision:501030Original commit files touched by this commit
jbeich search for other commits by this committer
devel/openmp: phase out

- Expire after the last version without /usr/lib/libomp.so
- Drop SOVERSION for seamless transition (i.e., avoid conditionals)

PR:		236907
Approved by:	bapt (maintainer)
Differential Revision:	https://reviews.freebsd.org/D19767
18.2_5
22 Apr 2019 13:16:34
Revision:499638Original commit files touched by this commit
gerald search for other commits by this committer
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.

Suggested by:	tijl
18.2_4
05 Jan 2019 15:14:26
Revision:489347Original commit files touched by this commit
antoine search for other commits by this committer
- science/dftbplus is not compatible with python3
- clean up plist

PR:		234633
18.2_4
12 Dec 2018 01:35:36
Revision:487272Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t
GCC 8.2 under most circumstances.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, as a double check, everything INDEX-11 showed depending on lang/gcc7.

PR:		231590
18.2_3
04 Oct 2018 21:10:42
Revision:481254Original commit files touched by this commit
yuri search for other commits by this committer
science/dftbplus science/mbdyn science/octopus: Change from math/arpack to
math/arpack-ng
18.2_2
22 Sep 2018 16:36:38
Revision:480395Original commit files touched by this commit
yuri search for other commits by this committer
Change 20 ports from net/mpich2 to net/mpich

mpich2 is the obsolete version 2.x, mpich is at the current version 3.x

Ports:
math/scalapack science/nwchem science/quantum-espresso science/qmcpack
science/madness
science/qbox science/openmx science/jdftx science/fleur science/libgridxc
science/mdynamix science/lm science/dftbplus science/py-gpaw devel/ga
math/elpa net/charm science/gromacs math/pari math/arpack-ng-mpich
18.2_1
13 Sep 2018 19:16:13
Revision:479690Original commit files touched by this commit
yuri search for other commits by this committer
science/dftbplus: Correct license; Correct patches

Port changes:
* Change LICENSE to GPLv3: LGPL3+ combined with GPLv1+ yields GPLv3
* Remove some unnecessary patches, also correct patch, binaries don't change
18.2_1
13 Sep 2018 17:38:23
Revision:479684Original commit files touched by this commit
yuri search for other commits by this committer
science/dftbplus: Update license; Add the 'test' target; etc.

Port changes:
* Fix the mistake in LICENSE
* Add the 'test' target, bundle the test potentials for it
* Update COMMENT to include a commonly known name for this package
* Pass build params via MAKE_ARGS, remove unnecessary patch related to this
* Add a patch to the makefile to print build parameters
18.2_1
13 Sep 2018 00:26:41
Revision:479657Original commit files touched by this commit
yuri search for other commits by this committer
science/dftbplus: Fix ARPACK handling; Link with clang; etc

* ARPACK option is for non-MPI build only
* Make it link using clang
* Add openmp dependency
18.2
12 Sep 2018 22:25:20
Revision:479622Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/dftbplus: Package for performing fast atomistic simulations

Number of commits found: 30