notbugAs an Amazon Associate I earn from qualifying purchases.
Want a good read? Try FreeBSD Mastery: Jails (IT Mastery Book 15)
Ukraine
FreshPorts needs to find a new hosting provide willing to take a 2U chassis and host it free of charge. This is part of the FreshPorts project. Preferably in the Austin area. This is not a primary server, but it used for development.
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: 2022-08-03 17:30:41
Commit Hash: 2ee3025
License: GPLv3
Description:
SVNWeb : git : Homepage
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:aarch64--
FreeBSD:11:amd6419.1_119.1_1
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64--
FreeBSD:12:amd6422.1_122.1
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i386--
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch64--
FreeBSD:13:amd6422.1_122.1
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i386--
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64--
FreeBSD:14:aarch64--
FreeBSD:14:amd6422.1_1-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i386--
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc64--
 

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. pkgconf>=1.3.0_1 : devel/pkgconf
  4. python3.9 : lang/python39
  5. gcc11 : lang/gcc11
  6. as : devel/binutils
Runtime dependencies:
  1. py39-numpy>=1.16,1<1.24,1 : math/py-numpy@py39
  2. gfortran11 : lang/gcc11
  3. gcc11 : lang/gcc11
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: 28

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
03 Aug 2022 17:30:41
 files touched by this commit commit hash:2ee30251736e368b793a4c6ffdf9553151254266  22.1_1
Yuri Victorovich (yuri) search for other commits by this committer
textproc/toml-f: Update 0.2.3 -> 0.3.0

Reported by:	portscout
04 Jul 2022 00:00:33
 files touched by this commit commit hash:028028ffbc6d1de41f6a60d385b28f5bda4b0d50  22.1
Piotr Kubaj (pkubaj) search for other commits by this committer
science/dftbplus: unbreak on powerpc* / main

Builds fine.
26 May 2022 06:52:58
 files touched by this commit commit hash:4625eec0284e80917e1051fa7819f3eb829794e0  22.1
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
16 Jan 2022 23:30:33
 files touched by this commit commit hash:0f99d93f3e311f43e590fbfe4e08f27e4be42613  21.2_1
Yuri Victorovich (yuri) search for other commits by this committer
science/dftbplus: Fix tests
16 Jan 2022 16:31:51
 files touched by this commit commit hash:665283cef4841a45c0c704c690f26303ce167d13  21.2
Yuri Victorovich (yuri) search for other commits by this committer
science/dftbplus: Update 19.1 -> 21.2
25 May 2021 11:06:44
 files touched by this commit commit hash:5001a29cb85d3a178109b7bebe931521f1db8ea6  19.1_1
Piotr Kubaj (pkubaj) search for other commits by this committer
science/dftbplus: fix BROKEN message
19 May 2021 04:07:42
 files touched by this commit commit hash:443d7c91488ed6e654cafa0716dc550683296af4  19.1_1
Yuri Victorovich (yuri) search for other commits by this committer
science/dftbplus: Broken on aarch64, powerpc* due to lack of IEEE754 support in
gcc
14 May 2021 21:29:29
 files touched by this commit commit hash:92aae631f98dba62cc404a8a9ec47cf60348f4de  19.1_1
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)
07 Apr 2021 08:09:01
 files touched by this commit commit hash:cf118ccf875508b9a1c570044c93cfcc82bd455c  19.1_1
Mathieu Arnold (mat) search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
06 Apr 2021 14:31:07
 files touched by this commit commit hash:305f148f482daf30dcf728039d03d019f88344eb  19.1_1
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
17 Nov 2020 22:28:17
Original commit files touched by this commit Revision:555600  19.1_1
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
20 May 2020 00:36:40
Original commit files touched by this commit Revision:535961  19.1_1
yuri search for other commits by this committer
science/dftbplus: Change to python3.
18 May 2020 01:32:36
Original commit files touched by this commit Revision:535704  19.1
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)
23 Feb 2020 15:25:53
Original commit files touched by this commit Revision:526925  19.1
antoine search for other commits by this committer
Deprecate a few ports

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

Reported by:	portscout
26 Jul 2019 20:46:57
Original commit files touched by this commit Revision:507372  18.2_8
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
03 Jul 2019 10:05:47
Original commit files touched by this commit Revision:505742  18.2_7
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)
19 May 2019 02:47:01
Original commit files touched by this commit Revision:502009  18.2_6
yuri search for other commits by this committer
science/dftbplus: Fix libomp.so in LDFLAGS (this also might fix the breakage on
13)
08 May 2019 16:05:53
Original commit files touched by this commit Revision:501030  18.2_6
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
22 Apr 2019 13:16:34
Original commit files touched by this commit Revision:499638  18.2_5
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
05 Jan 2019 15:14:26
Original commit files touched by this commit Revision:489347  18.2_4
antoine search for other commits by this committer
- science/dftbplus is not compatible with python3
- clean up plist

PR:		234633
12 Dec 2018 01:35:36
Original commit files touched by this commit Revision:487272  18.2_4
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
04 Oct 2018 21:10:42
Original commit files touched by this commit Revision:481254  18.2_3
yuri search for other commits by this committer
science/dftbplus science/mbdyn science/octopus: Change from math/arpack to
math/arpack-ng
22 Sep 2018 16:36:38
Original commit files touched by this commit Revision:480395  18.2_2
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
13 Sep 2018 19:16:13
Original commit files touched by this commit Revision:479690  18.2_1
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
13 Sep 2018 17:38:23
Original commit files touched by this commit Revision:479684  18.2_1
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
13 Sep 2018 00:26:41
Original commit files touched by this commit Revision:479657  18.2_1
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
12 Sep 2018 22:25:20
Original commit files touched by this commit Revision:479622  18.2
yuri search for other commits by this committer
New port: science/dftbplus: Package for performing fast atomistic simulations

Number of commits found: 28