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Port details
quantum-espresso Package for research in electronic structure, simulation, optimization
7.3.1_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 7.3.1_1Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-07-18 21:52:13
Last Update: 2024-06-21 17:49:24
Commit Hash: e2cd113
License: GPLv2
WWW:
https://www.quantum-espresso.org/
Description:
Quantum ESPRESSO is an integrated suite of open-source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Quantum ESPRESSO has evolved into a distribution of independent and inter-operable codes in the spirit of an open-source project. The Quantum ESPRESSO distribution consists of a "historical" core set of components, and a set of plug-ins that perform more advanced tasks, plus a number of third-party packages designed to be inter-operable with the core components. Researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes. You probably also need to install the Quantum ESPRESSO pseudopotentials library: quantum-espresso-pseudopotentials (science/quantum-espresso-pseudopotentials).
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 (1057 items)
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  1. /usr/local/share/licenses/quantum-espresso-7.3.1_2/catalog.mk
  2. /usr/local/share/licenses/quantum-espresso-7.3.1_2/LICENSE
  3. /usr/local/share/licenses/quantum-espresso-7.3.1_2/GPLv2
  4. bin/ZG.x
  5. bin/abcoeff_to_eps.x
  6. bin/all_currents.x
  7. bin/alpha2f.x
  8. bin/average.x
  9. bin/bands.x
  10. bin/bands_unfold.x
  11. bin/bse_main.x
  12. bin/casino2upf.x
  13. bin/cell2ibrav.x
  14. bin/cp.x
  15. bin/cppp.x
  16. bin/d3hess.x
  17. bin/disca.x
  18. bin/dos.x
  19. bin/dos_sp.x
  20. bin/dvscf_q2r.x
  21. bin/dynmat.x
  22. bin/ef.x
  23. bin/epa.x
  24. bin/epsilon.x
  25. bin/epsilon_Gaus.x
  26. bin/epw.x
  27. bin/epw_pp.py
  28. bin/ev.x
  29. bin/fd.x
  30. bin/fd_ef.x
  31. bin/fd_ifc.x
  32. bin/fermi_int_0.x
  33. bin/fermi_int_1.x
  34. bin/fermi_proj.x
  35. bin/fermi_velocity.x
  36. bin/fqha.x
  37. bin/fs.x
  38. bin/graph.x
  39. bin/gww.x
  40. bin/gww_fit.x
  41. bin/head.x
  42. bin/hgh2qe.x
  43. bin/hp.x
  44. bin/ibrav2cell.x
  45. bin/initial_state.x
  46. bin/kcw.x
  47. bin/kcwpp_interp.x
  48. bin/kcwpp_sh.x
  49. bin/kpoints.x
  50. bin/lambda.x
  51. bin/ld1.x
  52. bin/manycp.x
  53. bin/matdyn.x
  54. bin/memory_pw4gww.x
  55. bin/molecularnexafs.x
  56. bin/molecularpdos.x
  57. bin/neb.x
  58. bin/open_grid.x
  59. bin/path_interpolation.x
  60. bin/pawplot.x
  61. bin/ph.x
  62. bin/phcg.x
  63. bin/plan_avg.x
  64. bin/plotband.x
  65. bin/plotproj.x
  66. bin/plotrho.x
  67. bin/pmw.x
  68. bin/postahc.x
  69. bin/pp.x
  70. bin/pp_disca.x
  71. bin/pp_spctrlfn.x
  72. bin/ppacf.x
  73. bin/pprism.x
  74. bin/projwfc.x
  75. bin/pw.x
  76. bin/pw2bgw.x
  77. bin/pw2critic.x
  78. bin/pw2gt.x
  79. bin/pw2gw.x
  80. bin/pw2wannier90.x
  81. bin/pw4gww.x
  82. bin/pwcond.x
  83. bin/pwi2xsf.x
  84. bin/q2qstar.x
  85. bin/q2r.x
  86. bin/qe_xc_infos.x
  87. bin/scan_ibrav.x
  88. bin/simple.x
  89. bin/simple_bse.x
  90. bin/simple_ip.x
  91. bin/spectra_correction.x
  92. bin/sumpdos.x
  93. bin/turbo_davidson.x
  94. bin/turbo_eels.x
  95. bin/turbo_lanczos.x
  96. bin/turbo_magnon.x
  97. bin/turbo_spectrum.x
  98. bin/upfconv.x
  99. bin/virtual_v2.x
  100. bin/wannier_ham.x
  101. bin/wannier_plot.x
  102. bin/wfck2r.x
  103. bin/wfdd.x
  104. bin/xspectra.x
  105. include/mbd.h
  106. include/mbd.mod
  107. include/qe/qe_atomic/atomic_paw.mod
  108. include/qe/qe_atomic/kli.mod
  109. include/qe/qe_atomic/ld1_parameters.mod
  110. include/qe/qe_atomic/ld1inc.mod
  111. include/qe/qe_atomic/paw_type.mod
  112. include/qe/qe_cpv/betax.mod
  113. include/qe/qe_cpv/cell_nose.mod
  114. include/qe/qe_cpv/cg_module.mod
  115. include/qe/qe_cpv/cg_sub.mod
  116. include/qe/qe_cpv/core.mod
  117. include/qe/qe_cpv/cp_autopilot.mod
  118. include/qe/qe_cpv/cp_electronic_mass.mod
  119. include/qe/qe_cpv/cp_interfaces.mod
  120. include/qe/qe_cpv/cp_main_variables.mod
  121. include/qe/qe_cpv/cp_restart_new.mod
  122. include/qe/qe_cpv/dener.mod
  123. include/qe/qe_cpv/efcalc.mod
  124. include/qe/qe_cpv/efield_module.mod
  125. include/qe/qe_cpv/electric_field_module.mod
  126. include/qe/qe_cpv/electrons_module.mod
  127. include/qe/qe_cpv/electrons_nose.mod
  128. include/qe/qe_cpv/energies.mod
  129. include/qe/qe_cpv/ensemble_dft.mod
  130. include/qe/qe_cpv/environ_cp_module.mod
  131. include/qe/qe_cpv/exx_module.mod
  132. include/qe/qe_cpv/input.mod
  133. include/qe/qe_cpv/ions_nose.mod
  134. include/qe/qe_cpv/ions_positions.mod
  135. include/qe/qe_cpv/kohn_sham_states.mod
  136. include/qe/qe_cpv/ldau_cp.mod
  137. include/qe/qe_cpv/local_pseudo.mod
  138. include/qe/qe_cpv/metagga_cp.mod
  139. include/qe/qe_cpv/multipole_expansion.mod
  140. include/qe/qe_cpv/ortho_module.mod
  141. include/qe/qe_cpv/orthogonalize_base.mod
  142. include/qe/qe_cpv/pres_ai_mod.mod
  143. include/qe/qe_cpv/problem_size.mod
  144. include/qe/qe_cpv/pseudo_base.mod
  145. include/qe/qe_cpv/pseudopotential.mod
  146. include/qe/qe_cpv/qgb_mod.mod
  147. include/qe/qe_cpv/sic_module.mod
  148. include/qe/qe_cpv/small_box.mod
  149. include/qe/qe_cpv/smallbox_grid_dim.mod
  150. include/qe/qe_cpv/smallbox_gvec.mod
  151. include/qe/qe_cpv/smallbox_subs.mod
  152. include/qe/qe_cpv/splines.mod
  153. include/qe/qe_cpv/step_penalty.mod
  154. include/qe/qe_cpv/stress_param.mod
  155. include/qe/qe_cpv/tune.mod
  156. include/qe/qe_cpv/wannier_base.mod
  157. include/qe/qe_cpv/wannier_module.mod
  158. include/qe/qe_cpv/wannier_subroutines.mod
  159. include/qe/qe_cpv/wanpar.mod
  160. include/qe/qe_cpv/wave_base.mod
  161. include/qe/qe_cpv/wave_types.mod
  162. include/qe/qe_devxlib/device_auxfunc_m.mod
  163. include/qe/qe_devxlib/device_fbuff_m.mod
  164. include/qe/qe_devxlib/device_memcpy_m.mod
  165. include/qe/qe_devxlib/devicexlib_m.mod
  166. include/qe/qe_devxlib/tb_dev.mod
  167. include/qe/qe_devxlib/tb_pin.mod
  168. include/qe/qe_devxlib/timer_m.mod
  169. include/qe/qe_dftd3/dftd3_api.mod
  170. include/qe/qe_dftd3/dftd3_common.mod
  171. include/qe/qe_dftd3/dftd3_core.mod
  172. include/qe/qe_dftd3/dftd3_pars.mod
  173. include/qe/qe_dftd3/dftd3_qe.mod
  174. include/qe/qe_dftd3/dftd3_sizes.mod
  175. include/qe/qe_epw/bfield.mod
  176. include/qe/qe_epw/bloch2wan.mod
  177. include/qe/qe_epw/close_epw.mod
  178. include/qe/qe_epw/constants_epw.mod
  179. include/qe/qe_epw/control_epw.mod
  180. include/qe/qe_epw/cum_mod.mod
  181. include/qe/qe_epw/division.mod
  182. include/qe/qe_epw/dvqpsi.mod
  183. include/qe/qe_epw/eliashberg_common.mod
  184. include/qe/qe_epw/eliashberg_common_aniso.mod
  185. include/qe/qe_epw/eliashberg_common_iso.mod
  186. include/qe/qe_epw/eliashbergcom.mod
  187. include/qe/qe_epw/elph2.mod
  188. include/qe/qe_epw/epw_stop.mod
  189. include/qe/qe_epw/epwcom.mod
  190. include/qe/qe_epw/grid.mod
  191. include/qe/qe_epw/ifconstants.mod
  192. include/qe/qe_epw/indabs.mod
  193. include/qe/qe_epw/io_eliashberg.mod
  194. include/qe/qe_epw/io_epw.mod
  195. include/qe/qe_epw/io_indabs.mod
  196. include/qe/qe_epw/io_selfen.mod
  197. include/qe/qe_epw/io_transport.mod
  198. include/qe/qe_epw/io_var.mod
  199. include/qe/qe_epw/kfold.mod
  200. include/qe/qe_epw/klist_epw.mod
  201. include/qe/qe_epw/low_lvl.mod
  202. include/qe/qe_epw/output_epw.mod
  203. include/qe/qe_epw/polaron.mod
  204. include/qe/qe_epw/poolgathering.mod
  205. include/qe/qe_epw/printing.mod
  206. include/qe/qe_epw/pw2wan2epw.mod
  207. include/qe/qe_epw/qdabs.mod
  208. include/qe/qe_epw/read_ahc_files.mod
  209. include/qe/qe_epw/rigid_epw.mod
  210. include/qe/qe_epw/rotate.mod
  211. include/qe/qe_epw/rotate_wavefunction.mod
  212. include/qe/qe_epw/selfen.mod
  213. include/qe/qe_epw/selfen_ahc.mod
  214. include/qe/qe_epw/spectral_func.mod
  215. include/qe/qe_epw/supercond.mod
  216. include/qe/qe_epw/supercond_aniso.mod
  217. include/qe/qe_epw/supercond_iso.mod
  218. include/qe/qe_epw/transport.mod
  219. include/qe/qe_epw/transport_iter.mod
  220. include/qe/qe_epw/utilities.mod
  221. include/qe/qe_epw/wan2bloch.mod
  222. include/qe/qe_epw/wannierepw.mod
  223. include/qe/qe_epw/wannierization.mod
  224. include/qe/qe_epw/wfpt_mod.mod
  225. include/qe/qe_epw/wigner.mod
  226. include/qe/qe_fftx/fft_ggen.mod
  227. include/qe/qe_fftx/fft_helper_subroutines.mod
  228. include/qe/qe_fftx/fft_interfaces.mod
  229. include/qe/qe_fftx/fft_parallel.mod
  230. include/qe/qe_fftx/fft_parallel_2d.mod
  231. include/qe/qe_fftx/fft_param.mod
  232. include/qe/qe_fftx/fft_scalar.mod
  233. include/qe/qe_fftx/fft_scalar_fftw3.mod
  234. include/qe/qe_fftx/fft_scatter.mod
  235. include/qe/qe_fftx/fft_scatter_2d.mod
  236. include/qe/qe_fftx/fft_smallbox.mod
  237. include/qe/qe_fftx/fft_smallbox_type.mod
  238. include/qe/qe_fftx/fft_support.mod
  239. include/qe/qe_fftx/fft_types.mod
  240. include/qe/qe_fftx/fftw_interfaces.mod
  241. include/qe/qe_fftx/scatter_mod.mod
  242. include/qe/qe_fftx/stick_base.mod
  243. include/qe/qe_gww/basic_structures.mod
  244. include/qe/qe_gww/bse_basic_structures.mod
  245. include/qe/qe_gww/bse_wannier.mod
  246. include/qe/qe_gww/compact_product.mod
  247. include/qe/qe_gww/contour.mod
  248. include/qe/qe_gww/contract_w.mod
  249. include/qe/qe_gww/convergence_gw.mod
  250. include/qe/qe_gww/derived_objects.mod
  251. include/qe/qe_gww/direct_www.mod
  252. include/qe/qe_gww/energies_gww.mod
  253. include/qe/qe_gww/exchange_custom.mod
  254. include/qe/qe_gww/exciton.mod
  255. include/qe/qe_gww/expansion.mod
  256. include/qe/qe_gww/fake_cond_mod.mod
  257. include/qe/qe_gww/fft_custom_gwl.mod
  258. include/qe/qe_gww/fft_gw.mod
  259. include/qe/qe_gww/global_minpack.mod
  260. include/qe/qe_gww/green_function.mod
  261. include/qe/qe_gww/input_gw.mod
  262. include/qe/qe_gww/input_simple.mod
  263. include/qe/qe_gww/input_simple_exc.mod
  264. include/qe/qe_gww/input_simple_ip.mod
  265. include/qe/qe_gww/io_base_export.mod
  266. include/qe/qe_gww/lanczos.mod
  267. include/qe/qe_gww/mp_wave_parallel.mod
  268. include/qe/qe_gww/para_gww.mod
  269. include/qe/qe_gww/polarization.mod
  270. include/qe/qe_gww/qpe_exc.mod
  271. include/qe/qe_gww/self_energy_storage.mod
  272. include/qe/qe_gww/simple_ip_objects.mod
  273. include/qe/qe_gww/simple_objects.mod
  274. include/qe/qe_gww/start_end.mod
  275. include/qe/qe_gww/tetra_ip.mod
  276. include/qe/qe_gww/times_gw.mod
  277. include/qe/qe_gww/transitions.mod
  278. include/qe/qe_gww/w_divergence.mod
  279. include/qe/qe_hp/hp_nc_mag_aux.mod
  280. include/qe/qe_hp/ldau_hp.mod
  281. include/qe/qe_kcw/control_kcw.mod
  282. include/qe/qe_kcw/coulomb.mod
  283. include/qe/qe_kcw/interpolation.mod
  284. include/qe/qe_kcw/io_kcw.mod
  285. include/qe/qe_kcw/solve_linter_koop_mod.mod
  286. include/qe/qe_kssolver_davidson/david_rci_m.mod
  287. include/qe/qe_kssolver_davidson/ks_solver_interfaces.fh
  288. include/qe/qe_lax/dspev_module.mod
  289. include/qe/qe_lax/laxlib.fh
  290. include/qe/qe_lax/laxlib_descriptor.mod
  291. include/qe/qe_lax/laxlib_hi.fh
  292. include/qe/qe_lax/laxlib_kinds.fh
  293. include/qe/qe_lax/laxlib_low.fh
  294. include/qe/qe_lax/laxlib_mid.fh
  295. include/qe/qe_lax/laxlib_parallel_include.mod
  296. include/qe/qe_lax/laxlib_param.fh
  297. include/qe/qe_lax/laxlib_processors_grid.mod
  298. include/qe/qe_lax/laxlib_ptoolkit.mod
  299. include/qe/qe_lax/zhpev_module.mod
  300. include/qe/qe_lr_modules/apply_dpot_mod.mod
  301. include/qe/qe_lr_modules/control_lr.mod
  302. include/qe/qe_lr_modules/coul_cut_2d_ph.mod
  303. include/qe/qe_lr_modules/dfpt_tetra_mod.mod
  304. include/qe/qe_lr_modules/dv_of_drho_lr.mod
  305. include/qe/qe_lr_modules/dynamical.mod
  306. include/qe/qe_lr_modules/efermi_shift.mod
  307. include/qe/qe_lr_modules/eqv.mod
  308. include/qe/qe_lr_modules/gc_lr.mod
  309. include/qe/qe_lr_modules/ldau_lr.mod
  310. include/qe/qe_lr_modules/lr_sym_mod.mod
  311. include/qe/qe_lr_modules/lr_symm_base.mod
  312. include/qe/qe_lr_modules/lrus.mod
  313. include/qe/qe_lr_modules/ph_rvv10.mod
  314. include/qe/qe_lr_modules/ph_vdw_df.mod
  315. include/qe/qe_lr_modules/qpoint.mod
  316. include/qe/qe_lr_modules/qpoint_aux.mod
  317. include/qe/qe_lr_modules/response_kernels.mod
  318. include/qe/qe_lr_modules/units_lr.mod
  319. include/qe/qe_modules/additional_kpoints.mod
  320. include/qe/qe_modules/autopilot.mod
  321. include/qe/qe_modules/basic_algebra_routines.mod
  322. include/qe/qe_modules/becmod.mod
  323. include/qe/qe_modules/bfgs_module.mod
  324. include/qe/qe_modules/bspline.mod
  325. include/qe/qe_modules/bz_form.mod
  326. include/qe/qe_modules/cell_base.mod
  327. include/qe/qe_modules/check_stop.mod
  328. include/qe/qe_modules/command_line_options.mod
  329. include/qe/qe_modules/constants.mod
  330. include/qe/qe_modules/constraints_module.mod
  331. include/qe/qe_modules/control_flags.mod
  332. include/qe/qe_modules/coulomb_vcut_module.mod
  333. include/qe/qe_modules/electrons_base.mod
  334. include/qe/qe_modules/environ_base_module.mod
  335. include/qe/qe_modules/environment.mod
  336. include/qe/qe_modules/err_rism.mod
  337. include/qe/qe_modules/extffield.mod
  338. include/qe/qe_modules/f90sockets.mod
  339. include/qe/qe_modules/fd_gradient.mod
  340. include/qe/qe_modules/fft_base.mod
  341. include/qe/qe_modules/fft_rho.mod
  342. include/qe/qe_modules/fft_wave.mod
  343. include/qe/qe_modules/fox_init_module.mod
  344. include/qe/qe_modules/funct.mod
  345. include/qe/qe_modules/generate_function.mod
  346. include/qe/qe_modules/global_version.mod
  347. include/qe/qe_modules/gvec_3drism.mod
  348. include/qe/qe_modules/gvecs.mod
  349. include/qe/qe_modules/gvect.mod
  350. include/qe/qe_modules/gvecw.mod
  351. include/qe/qe_modules/hdf5_qe.mod
  352. include/qe/qe_modules/input_parameters.mod
  353. include/qe/qe_modules/io_base.mod
  354. include/qe/qe_modules/io_files.mod
  355. include/qe/qe_modules/io_global.mod
  356. include/qe/qe_modules/io_rism_xml.mod
  357. include/qe/qe_modules/ions_base.mod
  358. include/qe/qe_modules/kinds.mod
  359. include/qe/qe_modules/lauefft.mod
  360. include/qe/qe_modules/libmbd_interface.mod
  361. include/qe/qe_modules/lmdif_module.mod
  362. include/qe/qe_modules/london_module.mod
  363. include/qe/qe_modules/makovpayne.mod
  364. include/qe/qe_modules/matrix_inversion.mod
  365. include/qe/qe_modules/mdiis.mod
  366. include/qe/qe_modules/molecule_const.mod
  367. include/qe/qe_modules/molecule_types.mod
  368. include/qe/qe_modules/mp_bands.mod
  369. include/qe/qe_modules/mp_bands_tddfpt.mod
  370. include/qe/qe_modules/mp_exx.mod
  371. include/qe/qe_modules/mp_global.mod
  372. include/qe/qe_modules/mp_images.mod
  373. include/qe/qe_modules/mp_orthopools.mod
  374. include/qe/qe_modules/mp_pools.mod
  375. include/qe/qe_modules/mp_rism.mod
  376. include/qe/qe_modules/mp_wave.mod
  377. include/qe/qe_modules/mp_world.mod
  378. include/qe/qe_modules/noncollin_module.mod
  379. include/qe/qe_modules/open_close_input_file.mod
  380. include/qe/qe_modules/parameters.mod
  381. include/qe/qe_modules/parser.mod
  382. include/qe/qe_modules/plugin_flags.mod
  383. include/qe/qe_modules/plugin_variables.mod
  384. include/qe/qe_modules/printout_base.mod
  385. include/qe/qe_modules/qeh5_base_module.mod
  386. include/qe/qe_modules/qes_bcast_module.mod
  387. include/qe/qe_modules/qes_init_module.mod
  388. include/qe/qe_modules/qes_libs_module.mod
  389. include/qe/qe_modules/qes_read_module.mod
  390. include/qe/qe_modules/qes_reset_module.mod
  391. include/qe/qe_modules/qes_types_module.mod
  392. include/qe/qe_modules/qes_write_module.mod
  393. include/qe/qe_modules/qexsd_copy.mod
  394. include/qe/qe_modules/qexsd_init.mod
  395. include/qe/qe_modules/qexsd_input.mod
  396. include/qe/qe_modules/qexsd_module.mod
  397. include/qe/qe_modules/qmmm.mod
  398. include/qe/qe_modules/radfft.mod
  399. include/qe/qe_modules/random_numbers.mod
  400. include/qe/qe_modules/random_numbers_gpum.mod
  401. include/qe/qe_modules/read_cards_module.mod
  402. include/qe/qe_modules/read_input.mod
  403. include/qe/qe_modules/read_mol_module.mod
  404. include/qe/qe_modules/read_namelists_module.mod
  405. include/qe/qe_modules/read_pseudo_mod.mod
  406. include/qe/qe_modules/read_solv_module.mod
  407. include/qe/qe_modules/recvec_subs.mod
  408. include/qe/qe_modules/rism.mod
  409. include/qe/qe_modules/rism1d_facade.mod
  410. include/qe/qe_modules/rism3d_facade.mod
  411. include/qe/qe_modules/run_info.mod
  412. include/qe/qe_modules/rvv10.mod
  413. include/qe/qe_modules/set_signal.mod
  414. include/qe/qe_modules/solute.mod
  415. include/qe/qe_modules/solvavg.mod
  416. include/qe/qe_modules/solvmol.mod
  417. include/qe/qe_modules/space_group.mod
  418. include/qe/qe_modules/time_step.mod
  419. include/qe/qe_modules/tsvdw_module.mod
  420. include/qe/qe_modules/vdw_df.mod
  421. include/qe/qe_modules/wannier_gw.mod
  422. include/qe/qe_modules/wannier_new.mod
  423. include/qe/qe_modules/wave_gauge.mod
  424. include/qe/qe_modules/wavefunctions.mod
  425. include/qe/qe_modules/wavefunctions_gpum.mod
  426. include/qe/qe_modules/ws_base.mod
  427. include/qe/qe_modules/wy_pos.mod
  428. include/qe/qe_modules/wyckoff.mod
  429. include/qe/qe_modules/xml_io_rism.mod
  430. include/qe/qe_neb/fcp_opt_routines.mod
  431. include/qe/qe_neb/fcp_variables.mod
  432. include/qe/qe_neb/gcscf_variables.mod
  433. include/qe/qe_neb/int_global_variables.mod
  434. include/qe/qe_neb/path_base.mod
  435. include/qe/qe_neb/path_formats.mod
  436. include/qe/qe_neb/path_input_parameters_module.mod
  437. include/qe/qe_neb/path_io_routines.mod
  438. include/qe/qe_neb/path_io_units_module.mod
  439. include/qe/qe_neb/path_opt_routines.mod
  440. include/qe/qe_neb/path_read_cards_module.mod
  441. include/qe/qe_neb/path_read_namelists_module.mod
  442. include/qe/qe_neb/path_reparametrisation.mod
  443. include/qe/qe_neb/path_variables.mod
  444. include/qe/qe_phonon_ph/aa.mod
  445. include/qe/qe_phonon_ph/acfdtest.mod
  446. include/qe/qe_phonon_ph/ahc.mod
  447. include/qe/qe_phonon_ph/alpha2f_routines.mod
  448. include/qe/qe_phonon_ph/alpha2f_vals.mod
  449. include/qe/qe_phonon_ph/cgcom.mod
  450. include/qe/qe_phonon_ph/cgconv.mod
  451. include/qe/qe_phonon_ph/control_ph.mod
  452. include/qe/qe_phonon_ph/cryst_ph.mod
  453. include/qe/qe_phonon_ph/d2nsq_bare_module.mod
  454. include/qe/qe_phonon_ph/dfile_autoname.mod
  455. include/qe/qe_phonon_ph/dfile_star.mod
  456. include/qe/qe_phonon_ph/dielectric.mod
  457. include/qe/qe_phonon_ph/diffs.mod
  458. include/qe/qe_phonon_ph/disp.mod
  459. include/qe/qe_phonon_ph/doubleprojqq_module.mod
  460. include/qe/qe_phonon_ph/dvscf_interpolate.mod
  461. include/qe/qe_phonon_ph/dynamicalq.mod
  462. include/qe/qe_phonon_ph/dynmat.mod
  463. include/qe/qe_phonon_ph/efield_mod.mod
  464. include/qe/qe_phonon_ph/el_phon.mod
  465. include/qe/qe_phonon_ph/elph_scdft_mod.mod
  466. include/qe/qe_phonon_ph/elph_tetra_mod.mod
  467. include/qe/qe_phonon_ph/flags.mod
  468. include/qe/qe_phonon_ph/freq_ph.mod
  469. include/qe/qe_phonon_ph/gamma_gamma.mod
  470. include/qe/qe_phonon_ph/grid_irr_iq.mod
  471. include/qe/qe_phonon_ph/ifconstants.mod
  472. include/qe/qe_phonon_ph/io_dyn_mat.mod
  473. include/qe/qe_phonon_ph/ldau_ph.mod
  474. include/qe/qe_phonon_ph/modes.mod
  475. include/qe/qe_phonon_ph/modes1.mod
  476. include/qe/qe_phonon_ph/nc_mag_aux.mod
  477. include/qe/qe_phonon_ph/nlcc_ph.mod
  478. include/qe/qe_phonon_ph/output.mod
  479. include/qe/qe_phonon_ph/partial.mod
  480. include/qe/qe_phonon_ph/ph_restart.mod
  481. include/qe/qe_phonon_ph/phcom.mod
  482. include/qe/qe_phonon_ph/phon.mod
  483. include/qe/qe_phonon_ph/phunits.mod
  484. include/qe/qe_phonon_ph/phus.mod
  485. include/qe/qe_phonon_ph/ramanm.mod
  486. include/qe/qe_phonon_ph/recover_mod.mod
  487. include/qe/qe_phonon_ph/rigid.mod
  488. include/qe/qe_phonon_ph/save_ph.mod
  489. include/qe/qe_phonon_ph/sym_def_module.mod
  490. include/qe/qe_phonon_ph/symmetry.mod
  491. include/qe/qe_phonon_ph/term_one_1_module.mod
  492. include/qe/qe_phonon_ph/term_one_module.mod
  493. include/qe/qe_phonon_ph/term_three_1_module.mod
  494. include/qe/qe_phonon_ph/term_three_module.mod
  495. include/qe/qe_phonon_ph/units_ph.mod
  496. include/qe/qe_phonon_ph/write_hub.mod
  497. include/qe/qe_phonon_ph/yambo.mod
  498. include/qe/qe_pp/adduscore.mod
  499. include/qe/qe_pp/atproj.mod
  500. include/qe/qe_pp/chdens_module.mod
  501. include/qe/qe_pp/eps_writer.mod
  502. include/qe/qe_pp/fermi_proj_routines.mod
  503. include/qe/qe_pp/fermisurfer_common.mod
  504. include/qe/qe_pp/fft_interpolation_mod.mod
  505. include/qe/qe_pp/fs.mod
  506. include/qe/qe_pp/grid_module.mod
  507. include/qe/qe_pp/paw_postproc.mod
  508. include/qe/qe_pp/paw_postproc_.mod
  509. include/qe/qe_pp/pp_module.mod
  510. include/qe/qe_pp/projections.mod
  511. include/qe/qe_pp/projections_ldos.mod
  512. include/qe/qe_pp/read_proj.mod
  513. include/qe/qe_pp/smearing_mod.mod
  514. include/qe/qe_pp/vasp_read_chgcar.mod
  515. include/qe/qe_pp/vasp_xml.mod
  516. include/qe/qe_pp/vdw_df_scale.mod
  517. include/qe/qe_pp/wannier.mod
  518. include/qe/qe_pw/a2f.mod
  519. include/qe/qe_pw/acfdt_ener.mod
  520. include/qe/qe_pw/add_dmft_occ.mod
  521. include/qe/qe_pw/basis.mod
  522. include/qe/qe_pw/beef.mod
  523. include/qe/qe_pw/bp.mod
  524. include/qe/qe_pw/buffers.mod
  525. include/qe/qe_pw/buiol.mod
  526. include/qe/qe_pw/cellmd.mod
  527. include/qe/qe_pw/coul_cut_2d.mod
  528. include/qe/qe_pw/d3hess_mod.mod
  529. include/qe/qe_pw/dfunct.mod
  530. include/qe/qe_pw/dfunct_gpum.mod
  531. include/qe/qe_pw/dynamics_module.mod
  532. include/qe/qe_pw/ener.mod
  533. include/qe/qe_pw/environ_pw_module.mod
  534. include/qe/qe_pw/esm.mod
  535. include/qe/qe_pw/esm_common_mod.mod
  536. include/qe/qe_pw/esm_ewald_mod.mod
  537. include/qe/qe_pw/esm_force_mod.mod
  538. include/qe/qe_pw/esm_hartree_mod.mod
  539. include/qe/qe_pw/esm_local_mod.mod
  540. include/qe/qe_pw/esm_stres_mod.mod
  541. include/qe/qe_pw/extfield.mod
  542. include/qe/qe_pw/extrapolation.mod
  543. include/qe/qe_pw/exx.mod
  544. include/qe/qe_pw/exx_band.mod
  545. include/qe/qe_pw/exx_base.mod
  546. include/qe/qe_pw/fcp_dynamics.mod
  547. include/qe/qe_pw/fcp_module.mod
  548. include/qe/qe_pw/fcp_relaxation.mod
  549. include/qe/qe_pw/fixed_occ.mod
  550. include/qe/qe_pw/force_mod.mod
  551. include/qe/qe_pw/g_psi_mod.mod
  552. include/qe/qe_pw/g_psi_mod_gpum.mod
  553. include/qe/qe_pw/gcscf_module.mod
  554. include/qe/qe_pw/io_rho_xml.mod
  555. include/qe/qe_pw/klist.mod
  556. include/qe/qe_pw/ktetra.mod
  557. include/qe/qe_pw/ldau.mod
  558. include/qe/qe_pw/loc_scdm.mod
  559. include/qe/qe_pw/loc_scdm_k.mod
  560. include/qe/qe_pw/lsda_mod.mod
  561. include/qe/qe_pw/martyna_tuckerman.mod
  562. include/qe/qe_pw/paw_exx.mod
  563. include/qe/qe_pw/paw_init.mod
  564. include/qe/qe_pw/paw_onecenter.mod
  565. include/qe/qe_pw/paw_symmetry.mod
  566. include/qe/qe_pw/pw2blip.mod
  567. include/qe/qe_pw/pw_interfaces.mod
  568. include/qe/qe_pw/pw_restart_new.mod
  569. include/qe/qe_pw/pwcom.mod
  570. include/qe/qe_pw/rap_point_group.mod
  571. include/qe/qe_pw/rap_point_group_is.mod
  572. include/qe/qe_pw/rap_point_group_so.mod
  573. include/qe/qe_pw/realus.mod
  574. include/qe/qe_pw/relax.mod
  575. include/qe/qe_pw/rism_module.mod
  576. include/qe/qe_pw/scf.mod
  577. include/qe/qe_pw/scf_gpum.mod
  578. include/qe/qe_pw/sci_mod.mod
  579. include/qe/qe_pw/sic_mod.mod
  580. include/qe/qe_pw/start_k.mod
  581. include/qe/qe_pw/symm_base.mod
  582. include/qe/qe_pw/symme.mod
  583. include/qe/qe_pw/two_chem.mod
  584. include/qe/qe_pw/us_exx.mod
  585. include/qe/qe_pw/uspp_init.mod
  586. include/qe/qe_pw/vlocal.mod
  587. include/qe/qe_pw/wvfct.mod
  588. include/qe/qe_pw/wvfct_gpum.mod
  589. include/qe/qe_pw/xdm_module.mod
  590. include/qe/qe_pwcond_exe/cb_cond.mod
  591. include/qe/qe_pwcond_exe/cond.mod
  592. include/qe/qe_pwcond_exe/cond_files.mod
  593. include/qe/qe_pwcond_exe/cond_restart.mod
  594. include/qe/qe_pwcond_exe/control_cond.mod
  595. include/qe/qe_pwcond_exe/eigen_cond.mod
  596. include/qe/qe_pwcond_exe/geomcell_cond.mod
  597. include/qe/qe_pwcond_exe/orbcell_cond.mod
  598. include/qe/qe_pwcond_exe/realus_scatt.mod
  599. include/qe/qe_pwcond_exe/scattnl_cond.mod
  600. include/qe/qe_tddfpt/charg_resp.mod
  601. include/qe/qe_tddfpt/environ_td_module.mod
  602. include/qe/qe_tddfpt/linear_solvers.mod
  603. include/qe/qe_tddfpt/lr_dav_debug.mod
  604. include/qe/qe_tddfpt/lr_dav_routines.mod
  605. include/qe/qe_tddfpt/lr_dav_variables.mod
  606. include/qe/qe_tddfpt/lr_exx_kernel.mod
  607. include/qe/qe_tddfpt/lr_lanczos.mod
  608. include/qe/qe_tddfpt/lr_magnons_routines.mod
  609. include/qe/qe_tddfpt/lr_sternheimer.mod
  610. include/qe/qe_tddfpt/lr_us.mod
  611. include/qe/qe_tddfpt/lr_variables.mod
  612. include/qe/qe_tddfpt/paw_add_symmetry.mod
  613. include/qe/qe_utilx/clib_wrappers.mod
  614. include/qe/qe_utilx/data_buffer.mod
  615. include/qe/qe_utilx/error_handler.mod
  616. include/qe/qe_utilx/fletcher32_mod.mod
  617. include/qe/qe_utilx/mp.mod
  618. include/qe/qe_utilx/mp_bands_util.mod
  619. include/qe/qe_utilx/mytime.mod
  620. include/qe/qe_utilx/nvtx.mod
  621. include/qe/qe_utilx/parallel_include.mod
  622. include/qe/qe_utilx/util_param.mod
  623. include/qe/qe_utilx_tests/mp_world.mod
  624. include/qe/qe_utilx_tests/tester.mod
  625. include/qe/qe_wannier90/w90_berry.mod
  626. include/qe/qe_wannier90/w90_boltzwann.mod
  627. include/qe/qe_wannier90/w90_comms.mod
  628. include/qe/qe_wannier90/w90_constants.mod
  629. include/qe/qe_wannier90/w90_conv.mod
  630. include/qe/qe_wannier90/w90_disentangle.mod
  631. include/qe/qe_wannier90/w90_dos.mod
  632. include/qe/qe_wannier90/w90_geninterp.mod
  633. include/qe/qe_wannier90/w90_get_oper.mod
  634. include/qe/qe_wannier90/w90_gyrotropic.mod
  635. include/qe/qe_wannier90/w90_hamiltonian.mod
  636. include/qe/qe_wannier90/w90_io.mod
  637. include/qe/qe_wannier90/w90_kmesh.mod
  638. include/qe/qe_wannier90/w90_kpath.mod
  639. include/qe/qe_wannier90/w90_kslice.mod
  640. include/qe/qe_wannier90/w90_overlap.mod
  641. include/qe/qe_wannier90/w90_parameters.mod
  642. include/qe/qe_wannier90/w90_plot.mod
  643. include/qe/qe_wannier90/w90_postw90_common.mod
  644. include/qe/qe_wannier90/w90_sitesym.mod
  645. include/qe/qe_wannier90/w90_spin.mod
  646. include/qe/qe_wannier90/w90_transport.mod
  647. include/qe/qe_wannier90/w90_utility.mod
  648. include/qe/qe_wannier90/w90_wan_ham.mod
  649. include/qe/qe_wannier90/w90_wannierise.mod
  650. include/qe/qe_wannier90/w90_ws_distance.mod
  651. include/qe/qe_xclib/beef_interface.mod
  652. include/qe/qe_xclib/constants_l.mod
  653. include/qe/qe_xclib/corr_gga.mod
  654. include/qe/qe_xclib/corr_lda.mod
  655. include/qe/qe_xclib/dft_setting_params.mod
  656. include/qe/qe_xclib/dft_setting_routines.mod
  657. include/qe/qe_xclib/exch_gga.mod
  658. include/qe/qe_xclib/exch_lda.mod
  659. include/qe/qe_xclib/kind_l.mod
  660. include/qe/qe_xclib/metagga.mod
  661. include/qe/qe_xclib/qe_dft_list.mod
  662. include/qe/qe_xclib/qe_dft_refs.mod
  663. include/qe/qe_xclib/qe_drivers_d_gga.mod
  664. include/qe/qe_xclib/qe_drivers_d_lda_lsda.mod
  665. include/qe/qe_xclib/qe_drivers_gga.mod
  666. include/qe/qe_xclib/qe_drivers_lda_lsda.mod
  667. include/qe/qe_xclib/qe_drivers_mgga.mod
  668. include/qe/qe_xclib/xc_lib.mod
  669. include/qe/qe_xclib/xclib_utils_and_para.mod
  670. include/qe/qe_xml/atom.mod
  671. include/qe/qe_xml/beta_mod.mod
  672. include/qe/qe_xml/casino_pp.mod
  673. include/qe/qe_xml/cpmd_module.mod
  674. include/qe/qe_xml/dom.mod
  675. include/qe/qe_xml/fhi.mod
  676. include/qe/qe_xml/m_gth.mod
  677. include/qe/qe_xml/paw_variables.mod
  678. include/qe/qe_xml/pseudo_types.mod
  679. include/qe/qe_xml/qrad_mod.mod
  680. include/qe/qe_xml/radial_grids.mod
  681. include/qe/qe_xml/read_psml_module.mod
  682. include/qe/qe_xml/read_upf_new_module.mod
  683. include/qe/qe_xml/read_upf_v1_module.mod
  684. include/qe/qe_xml/read_uspp_module.mod
  685. include/qe/qe_xml/rhoat_mod.mod
  686. include/qe/qe_xml/rhoc_mod.mod
  687. include/qe/qe_xml/splinelib.mod
  688. include/qe/qe_xml/upf_auxtools.mod
  689. include/qe/qe_xml/upf_const.mod
  690. include/qe/qe_xml/upf_invmat.mod
  691. include/qe/qe_xml/upf_io.mod
  692. include/qe/qe_xml/upf_ions.mod
  693. include/qe/qe_xml/upf_kinds.mod
  694. include/qe/qe_xml/upf_parallel_include.mod
  695. include/qe/qe_xml/upf_params.mod
  696. include/qe/qe_xml/upf_spinorb.mod
  697. include/qe/qe_xml/upf_to_internal.mod
  698. include/qe/qe_xml/upf_utils.mod
  699. include/qe/qe_xml/uspp.mod
  700. include/qe/qe_xml/uspp_data.mod
  701. include/qe/qe_xml/uspp_param.mod
  702. include/qe/qe_xml/vloc_mod.mod
  703. include/qe/qe_xml/write_upf_new.mod
  704. include/qe/qe_xml/wxml.mod
  705. include/qe/qe_xml/xmltools.mod
  706. include/qe/qe_xml/ylmr2_gpum.mod
  707. include/qe/qe_xspectra_gipaw/coef_cg.mod
  708. include/qe/qe_xspectra_gipaw/coef_gaunt.mod
  709. include/qe/qe_xspectra_gipaw/cut_valence_green.mod
  710. include/qe/qe_xspectra_gipaw/edge_energy.mod
  711. include/qe/qe_xspectra_gipaw/gamma_variable_mod.mod
  712. include/qe/qe_xspectra_gipaw/paw_gipaw.mod
  713. include/qe/qe_xspectra_gipaw/radin_mod.mod
  714. include/qe/qe_xspectra_gipaw/xspectra.mod
  715. include/qe/qe_xspectra_gipaw/xspectra_paw_variables.mod
  716. lib/cmake/mbd/MbdConfig-release.cmake
  717. lib/cmake/mbd/MbdConfig.cmake
  718. lib/cmake/qe/qeConfig.cmake
  719. lib/cmake/qe/qeConfigVersion.cmake
  720. lib/cmake/qe/qeTargets-release.cmake
  721. lib/cmake/qe/qeTargets.cmake
  722. lib/libmbd.a
  723. lib/libqe_atomic.a
  724. lib/libqe_couple.a
  725. lib/libqe_cpv.a
  726. lib/libqe_device_lapack.a
  727. lib/libqe_devxlib.a
  728. lib/libqe_dftd3.a
  729. lib/libqe_epw.a
  730. lib/libqe_fftx.a
  731. lib/libqe_gww.a
  732. lib/libqe_gww_bse.a
  733. lib/libqe_gww_head.a
  734. lib/libqe_gww_minpack.a
  735. lib/libqe_gww_pw4gww.a
  736. lib/libqe_gww_simple.a
  737. lib/libqe_gww_simplebse.a
  738. lib/libqe_gww_simpleip.a
  739. lib/libqe_hp.a
  740. lib/libqe_kcw.a
  741. lib/libqe_kssolver_cg.a
  742. lib/libqe_kssolver_davidson.a
  743. lib/libqe_kssolver_davidsonrci.a
  744. lib/libqe_kssolver_dense.a
  745. lib/libqe_kssolver_paro.a
  746. lib/libqe_kssolver_ppcg.a
  747. lib/libqe_kssolver_rmmdiis.a
  748. lib/libqe_lax.a
  749. lib/libqe_libbeef.a
  750. lib/libqe_lr_modules.a
  751. lib/libqe_modules.a
  752. lib/libqe_modules_c.a
  753. lib/libqe_neb.a
  754. lib/libqe_phonon_fd.a
  755. lib/libqe_phonon_gamma.a
  756. lib/libqe_phonon_ph.a
  757. lib/libqe_phonon_phaux.a
  758. lib/libqe_pp.a
  759. lib/libqe_pw.a
  760. lib/libqe_tddfpt.a
  761. lib/libqe_upflib.a
  762. lib/libqe_utilx.a
  763. lib/libqe_utilx_c.a
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  1051. share/GUI/README
  1052. @dir include/qe/qe_couple
  1053. @dir include/qe/qe_device_lapack
  1054. @dir include/qe/qe_qeheat_exe
  1055. @owner
  1056. @group
  1057. @mode
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Dependency lines:
  • quantum-espresso>0:science/quantum-espresso
To install the port:
cd /usr/ports/science/quantum-espresso/ && make install clean
To add the package, run one of these commands:
  • pkg install science/quantum-espresso
  • pkg install quantum-espresso
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: quantum-espresso
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1710561876 SHA256 (QEF-q-e-qe-7.3.1_GH0.tar.gz) = 2c58b8fadfe4177de5a8b69eba447db5e623420b070dea6fd26c1533b081d844 SIZE (QEF-q-e-qe-7.3.1_GH0.tar.gz) = 70939217

Expand this list (16 items)

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SHA256 (anharmonic-d3q-87685245bc5bc14f226fc18e5126305501b368e8_GH0.tar.gz) = 570f4f615a81ff4f7eb23dbe4677d33398ebbf33ae10ae86401424df73b34835 SIZE (anharmonic-d3q-87685245bc5bc14f226fc18e5126305501b368e8_GH0.tar.gz) = 14356192 SHA256 (pietrodelugas-fox-3453648e6837658b747b895bb7bef4b1ed2eac40_GH0.tar.gz) = 107b1d58eb6a0a730c98520a8f99a6459b2a0e06b06f4b037abf358b29d50df1 SIZE (pietrodelugas-fox-3453648e6837658b747b895bb7bef4b1ed2eac40_GH0.tar.gz) = 988789 SHA256 (Reference-LAPACK-lapack-12d825396fcef1e0a1b27be9f119f9e554621e55_GH0.tar.gz) = 2ae8b6eb09e9c1d3b5d66bb778a5a5119af13575bb7fd8016f5cabb319253257 SIZE (Reference-LAPACK-lapack-12d825396fcef1e0a1b27be9f119f9e554621e55_GH0.tar.gz) = 7489950 SHA256 (libmbd-libmbd-82005cbb65bdf5d32ca021848eec8f19da956a77_GH0.tar.gz) = 31a470f55a0c74857df1cfa1bdf915ef9e389b0f86796cae92bd74824e27d4d7 SIZE (libmbd-libmbd-82005cbb65bdf5d32ca021848eec8f19da956a77_GH0.tar.gz) = 85408 SHA256 (QMCPACK-pw2qmcpack-f72ab25fa4ea755c1b4b230ae8074b47d5509c70_GH0.tar.gz) = 100db550954e449e4bfbd7020254205941b946b2c6fe6d8c26db4880daa72609 SIZE (QMCPACK-pw2qmcpack-f72ab25fa4ea755c1b4b230ae8074b47d5509c70_GH0.tar.gz) = 19192 SHA256 (dceresoli-qe-gipaw-75b01b694c9ba4df55d294cacc27cf28591b2161_GH0.tar.gz) = 1e269ca4ee3718ef18a24534fab43003de4c2128b6b90f8552c2ecbc7f1ef635 SIZE (dceresoli-qe-gipaw-75b01b694c9ba4df55d294cacc27cf28591b2161_GH0.tar.gz) = 5858965 SHA256 (wannier-developers-wannier90-1d6b187374a2d50b509e5e79e2cab01a79ff7ce1_GH0.tar.gz) = e5936d20c4e19f458335a53a1ec94ac993e54b09ee0e44b3184ac13c0f2758ad SIZE (wannier-developers-wannier90-1d6b187374a2d50b509e5e79e2cab01a79ff7ce1_GH0.tar.gz) = 101226267 SHA256 (devicexlib-a6b89ef.tar.bz2) = e285f5e4c299d4a46832cc35b7b99b7fe45f10832d4c36c463f38bb279304a86 SIZE (devicexlib-a6b89ef.tar.bz2) = 5315051

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Packages (timestamps in pop-ups are UTC):
quantum-espresso
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-7.3.1_2--7.3.1_2---
FreeBSD:13:quarterly-7.3.1_2--7.3.1_2---
FreeBSD:14:latest-7.3.1_2--7.3.1_2---
FreeBSD:14:quarterly-7.3.1_2--7.3.1_2---
FreeBSD:15:latest-7.3.1_2n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. fox-xml>0 : textproc/fox-xml
  2. bash : shells/bash
  3. cmake : devel/cmake-core
  4. gfortran13 : lang/gcc13
  5. python3.11 : lang/python311
  6. as : devel/binutils
Test dependencies:
  1. python3.11 : lang/python311
Runtime dependencies:
  1. gfortran13 : lang/gcc13
  2. python3.11 : lang/python311
Library dependencies:
  1. libblas.so : math/blas
  2. libfftw3.so : math/fftw3
  3. liblapack.so : math/lapack
  4. libopenblas.so : math/openblas
  5. libmpi_mpifh.so : net/openmpi
This port is required by:
for Build
  1. science/quantum-espresso-pseudopotentials
for Run
  1. science/ocean

Configuration Options:
===> The following configuration options are available for quantum-espresso-7.3.1_2: ====> MPI (Message Passing Interface) support: you have to select exactly one of them MPICH=off: Parallel processing support via MPICH 3 OPENMPI=on: Parallel processing support via Open MPI ===> Use 'make config' to modify these settings
Options name:
science_quantum-espresso
USES:
cmake fortran python shebangfix mpi:openmpi pkgconfig
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/QEF/q-e/tar.gz/qe-7.3.1?dummy=/
Collapse this list.

Number of commits found: 25

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
7.3.1_2
21 Jun 2024 17:49:24
commit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fecommit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fecommit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fecommit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fe files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: bump PORTREVISION after the upgrade to OpenBLAS
7.3.1_1
12 May 2024 19:03:50
commit hash: 6184c5c00ef83a205fc1d4a4efb3801412efd68fcommit hash: 6184c5c00ef83a205fc1d4a4efb3801412efd68fcommit hash: 6184c5c00ef83a205fc1d4a4efb3801412efd68fcommit hash: 6184c5c00ef83a205fc1d4a4efb3801412efd68f files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/quantum-espresso: Broken on aarch64

... due to a missing ieee_arithmetic module on this architecture.

Reported by:	fallout
7.3.1_1
12 Apr 2024 03:01:49
commit hash: f68ec59d68c3623e834d20189fe381f6af9d2cf6commit hash: f68ec59d68c3623e834d20189fe381f6af9d2cf6commit hash: f68ec59d68c3623e834d20189fe381f6af9d2cf6commit hash: f68ec59d68c3623e834d20189fe381f6af9d2cf6 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/quantum-espresso: Remove wannier90 binaries, which fixes conflict for
science/ocean

Reported by:	fallout
7.3.1
16 Mar 2024 08:05:35
commit hash: d9c009973f61a03688f1436c37d61b30f0971f00commit hash: d9c009973f61a03688f1436c37d61b30f0971f00commit hash: d9c009973f61a03688f1436c37d61b30f0971f00commit hash: d9c009973f61a03688f1436c37d61b30f0971f00 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/quantum-espresso: update 6.7.0 → 7.3.1
6.7.0_3
01 Jan 2024 11:49:51
commit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfd files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0

PR:		275860
6.7.0_2
10 Dec 2023 10:23:11
commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9 files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: bump PORTREVISION after the upgrade of MPICH to 4.1.2
6.7.0_1
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)
6.7.0
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)
6.7.0
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
6.7.0
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.
6.7.0
03 Dec 2020 20:51:29
Revision:556926Original commit files touched by this commit
yuri search for other commits by this committer
science/quantum-espresso: Update 6.6 -> 6.7.0

Reported by:	portscout
6.6
16 Nov 2020 04:05:31
Revision:555449Original commit files touched by this commit
yuri search for other commits by this committer
science/quantum-espresso: Update 6.5 -> 6.6
6.5
31 Dec 2019 19:33:00
Revision:521650Original commit files touched by this commit
yuri search for other commits by this committer
science/quantum-espresso: Update 6.4.1 -> 6.5

Reported by:	portscout
6.4.1_2
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
6.4.1_1
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
6.4.1
09 Apr 2019 06:25:11
Revision:498452Original commit files touched by this commit
yuri search for other commits by this committer
science/quantum-espresso: Update 6.4 -> 6.4.1

Reported by:	portscout
6.4
29 Mar 2019 23:06:42
Revision:497223Original commit files touched by this commit
linimon search for other commits by this committer
Mark broken on armv*:

  gfortran8: error: iotk_base_tmp.f90: No such file or directory

Approved by:	portmgr (tier-2 blanket)
6.4
06 Mar 2019 03:17:45
Revision:494762Original commit files touched by this commit
yuri search for other commits by this committer
science/quantum-espresso: Update 6.3 -> 6.4

Reported by:	portscout
6.3_5
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
6.3_4
21 Nov 2018 22:37:49
Revision:485565Original commit files touched by this commit
yuri search for other commits by this committer
science/quantum-espresso: Remove pseudopotentials

A more complete set of pseudopotentials is now in
the separate port science/quantum-espresso-pseudopotentials
that normally needs to be installed in addition to
this port.
6.3_3
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
6.3_2
29 Jul 2018 22:18:46
Revision:475857Original 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
in the ports tree (via Mk/bsd.default-versions.mk and lang/gcc) which
has now moved from GCC 6 to GCC 7 by default.

This includes ports
 - featuring USE_GCC=yes or USE_GCC=any,
 - featuring USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and those
 - with USES=compiler specifying one of openmp, nestedfct, c11, c++0x,
   c++11-lib, c++11-lang, c++14-lang, c++17-lang, or gcc-c++11-lib.

PR:		222542
6.3_1
19 Jul 2018 10:18:07
Revision:474956Original commit files touched by this commit
yuri search for other commits by this committer
science/quantum-espresso: Add pseudo potential files because they are used in
all calculations

Port changes:
* Download and install all pseudo potential files that are mentioned in any
examples
* Remove ALL_TARGET - it had a default value
* Merge post-patch target into post-extract target
* Add the run-examples target
* Add DIST_SUBDIR because there are many distfiles
6.3
18 Jul 2018 21:47:12
Revision:474904Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/quantum-espresso: Package for research in electronic
structure, simulation, optimization

Number of commits found: 25