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Port details
octopus Scientific program aimed at the ab initio virtual experimentation
13.0_2 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 13.0Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-08-24 17:54:24
Last Update: 2024-03-21 17:10:16
Commit Hash: 496e64e
License: GPLv2
WWW:
https://octopus-code.org/new-site/main/
Description:
Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation. For optimal execution performance Octopus is parallelized using MPI and OpenMP and can scale to tens of thousands of processors. It also has support for graphical processing units (GPUs) through OpenCL and CUDA.
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 (2082 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/octopus-13.0_2/catalog.mk
  3. /usr/local/share/licenses/octopus-13.0_2/LICENSE
  4. /usr/local/share/licenses/octopus-13.0_2/GPLv2
  5. bin/create_combinations.py
  6. bin/oct-analyze_projections
  7. bin/oct-atomic_occupations
  8. bin/oct-casida_spectrum
  9. bin/oct-center-geom
  10. bin/oct-check_deallocs
  11. bin/oct-conductivity
  12. bin/oct-convert
  13. bin/oct-dielectric-function
  14. bin/oct-display_partitions
  15. bin/oct-floquet
  16. bin/oct-harmonic-spectrum
  17. bin/oct-help
  18. bin/oct-infrared_spectrum
  19. bin/oct-local_multipoles
  20. bin/oct-oscillator-strength
  21. bin/oct-photoelectron_spectrum
  22. bin/oct-propagation_spectrum
  23. bin/oct-run_performance_testsuite.sh
  24. bin/oct-run_periodic_table
  25. bin/oct-run_regression_test.pl
  26. bin/oct-run_testsuite.sh
  27. bin/oct-spin_susceptibility
  28. bin/oct-tdtdm
  29. bin/oct-unfold
  30. bin/oct-vdW_c6
  31. bin/oct-vibrational_spectrum
  32. bin/oct-wannier90
  33. bin/oct-xyz-anim
  34. bin/octopus
  35. include/liboct_parser.h
  36. include/string_f.h
  37. lib/liboct.so
  38. lib/liboct.so.0
  39. lib/liboct.so.0.0.0
  40. lib/liboct_parser.so
  41. lib/liboct_parser.so.0
  42. lib/liboct_parser.so.0.0.0
  43. share/man/man1/oct-atomic_occupations.1.gz
  44. share/man/man1/oct-casida_spectrum.1.gz
  45. share/man/man1/oct-center-geom.1.gz
  46. share/man/man1/oct-display_partitions.1.gz
  47. share/man/man1/oct-harmonic-spectrum.1.gz
  48. share/man/man1/oct-propagation_spectrum.1.gz
  49. share/man/man1/oct-run_periodic_table.1.gz
  50. share/man/man1/oct-run_regression_test.pl.1.gz
  51. share/man/man1/oct-run_testsuite.sh.1.gz
  52. share/man/man1/oct-vibrational_spectrum.1.gz
  53. share/man/man1/oct-xyz-anim.1.gz
  54. share/man/man1/octopus.1.gz
  55. share/octopus/dftd3/pars.dat
  56. share/octopus/doc/vars/Atomic_Orbitals.html
  57. share/octopus/doc/vars/Calculation_Modes.html
  58. share/octopus/doc/vars/ClassicalParticles.html
  59. share/octopus/doc/vars/DFTBPlusInterface.html
  60. share/octopus/doc/vars/Execution.html
  61. share/octopus/doc/vars/Hamiltonian.html
  62. share/octopus/doc/vars/Linear_Response.html
  63. share/octopus/doc/vars/Math.html
  64. share/octopus/doc/vars/Maxwell.html
  65. share/octopus/doc/vars/MaxwellStates.html
  66. share/octopus/doc/vars/Mesh.html
  67. share/octopus/doc/vars/Output.html
  68. share/octopus/doc/vars/SCF.html
  69. share/octopus/doc/vars/States.html
  70. share/octopus/doc/vars/System.html
  71. share/octopus/doc/vars/Time-Dependent.html
  72. share/octopus/doc/vars/Utilities.html
  73. share/octopus/doc/vars/alpha.js
  74. share/octopus/doc/vars/ftiens4.js
  75. share/octopus/doc/vars/ftv2blank.gif
  76. share/octopus/doc/vars/ftv2doc.gif
  77. share/octopus/doc/vars/ftv2folderclosed.gif
  78. share/octopus/doc/vars/ftv2folderopen.gif
  79. share/octopus/doc/vars/ftv2lastnode.gif
  80. share/octopus/doc/vars/ftv2link.gif
  81. share/octopus/doc/vars/ftv2mlastnode.gif
  82. share/octopus/doc/vars/ftv2mnode.gif
  83. share/octopus/doc/vars/ftv2node.gif
  84. share/octopus/doc/vars/ftv2plastnode.gif
  85. share/octopus/doc/vars/ftv2pnode.gif
  86. share/octopus/doc/vars/ftv2vertline.gif
  87. share/octopus/doc/vars/sections.js
  88. share/octopus/doc/vars/ua.js
  89. share/octopus/doc/vars/vars.php
  90. share/octopus/doc/vars/varsLeftFrame.php
  91. share/octopus/doc/vars/varsRightFrame.html
  92. share/octopus/doc/vars/vars_index.html
  93. share/octopus/filter_mask.data
  94. share/octopus/gdlib.png
  95. share/octopus/gequad.data
  96. share/octopus/logo
  97. share/octopus/opencl/axpy.cl
  98. share/octopus/opencl/boundaries.cl
  99. share/octopus/opencl/cl_complex.h
  100. share/octopus/opencl/cl_global.h
  101. share/octopus/opencl/cl_reduce.h
  102. share/octopus/opencl/cl_rtype.h
  103. share/octopus/opencl/convert.cl
  104. share/octopus/opencl/copy.cl
  105. share/octopus/opencl/cuda_compat.h
  106. share/octopus/opencl/curl.cl
  107. share/octopus/opencl/density.cl
  108. share/octopus/opencl/dftu_projector.cl
  109. share/octopus/opencl/forces.cl
  110. share/octopus/opencl/get_points.cl
  111. share/octopus/opencl/ghost.cl
  112. share/octopus/opencl/mesh_batch.cl
  113. share/octopus/opencl/mesh_batch_single.cl
  114. share/octopus/opencl/mesh_to_cube.cl
  115. share/octopus/opencl/mod_sqr.cl
  116. share/octopus/opencl/mul.cl
  117. share/octopus/opencl/operate.cl
  118. share/octopus/opencl/pack.cl
  119. share/octopus/opencl/phase.cl
  120. share/octopus/opencl/phase_spiral.cl
  121. share/octopus/opencl/pml.cl
  122. share/octopus/opencl/points.cl
  123. share/octopus/opencl/projector.cl
  124. share/octopus/opencl/projector_commutator.cl
  125. share/octopus/opencl/rotate.cl
  126. share/octopus/opencl/set_one.cl
  127. share/octopus/opencl/set_zero.cl
  128. share/octopus/opencl/split.cl
  129. share/octopus/opencl/trsm.cl
  130. share/octopus/opencl/uvw_to_xyz.cl
  131. share/octopus/opencl/vpsi.cl
  132. share/octopus/pseudopotentials/HGH/lda/Ag.hgh
  133. share/octopus/pseudopotentials/HGH/lda/Al.hgh
  134. share/octopus/pseudopotentials/HGH/lda/Ar.hgh
  135. share/octopus/pseudopotentials/HGH/lda/As.hgh
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  137. share/octopus/pseudopotentials/HGH/lda/Au.hgh
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  142. share/octopus/pseudopotentials/HGH/lda/Br.hgh
  143. share/octopus/pseudopotentials/HGH/lda/C.hgh
  144. share/octopus/pseudopotentials/HGH/lda/C.hgh.spacing
  145. share/octopus/pseudopotentials/HGH/lda/Ca.hgh
  146. share/octopus/pseudopotentials/HGH/lda/Cd.hgh
  147. share/octopus/pseudopotentials/HGH/lda/Cl.hgh
  148. share/octopus/pseudopotentials/HGH/lda/Co.hgh
  149. share/octopus/pseudopotentials/HGH/lda/Cr.hgh
  150. share/octopus/pseudopotentials/HGH/lda/Cs.hgh
  151. share/octopus/pseudopotentials/HGH/lda/Cu.hgh
  152. share/octopus/pseudopotentials/HGH/lda/D.hgh
  153. share/octopus/pseudopotentials/HGH/lda/F.hgh
  154. share/octopus/pseudopotentials/HGH/lda/Fe.hgh
  155. share/octopus/pseudopotentials/HGH/lda/Ga.hgh
  156. share/octopus/pseudopotentials/HGH/lda/Ge.hgh
  157. share/octopus/pseudopotentials/HGH/lda/H.hgh
  158. share/octopus/pseudopotentials/HGH/lda/He.hgh
  159. share/octopus/pseudopotentials/HGH/lda/He.hgh.spacing
  160. share/octopus/pseudopotentials/HGH/lda/Hg.hgh
  161. share/octopus/pseudopotentials/HGH/lda/I.hgh
  162. share/octopus/pseudopotentials/HGH/lda/In.hgh
  163. share/octopus/pseudopotentials/HGH/lda/Ir.hgh
  164. share/octopus/pseudopotentials/HGH/lda/K.hgh
  165. share/octopus/pseudopotentials/HGH/lda/Kr.hgh
  166. share/octopus/pseudopotentials/HGH/lda/Li.hgh
  167. share/octopus/pseudopotentials/HGH/lda/Mg.hgh
  168. share/octopus/pseudopotentials/HGH/lda/Mn.hgh
  169. share/octopus/pseudopotentials/HGH/lda/Mo.hgh
  170. share/octopus/pseudopotentials/HGH/lda/N.hgh
  171. share/octopus/pseudopotentials/HGH/lda/N.hgh.spacing
  172. share/octopus/pseudopotentials/HGH/lda/Na.hgh
  173. share/octopus/pseudopotentials/HGH/lda/Nb.hgh
  174. share/octopus/pseudopotentials/HGH/lda/Ne.hgh
  175. share/octopus/pseudopotentials/HGH/lda/Ni.hgh
  176. share/octopus/pseudopotentials/HGH/lda/O.hgh
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  178. share/octopus/pseudopotentials/HGH/lda/P.hgh
  179. share/octopus/pseudopotentials/HGH/lda/Pb.hgh
  180. share/octopus/pseudopotentials/HGH/lda/Pd.hgh
  181. share/octopus/pseudopotentials/HGH/lda/Po.hgh
  182. share/octopus/pseudopotentials/HGH/lda/Pt.hgh
  183. share/octopus/pseudopotentials/HGH/lda/Rb.hgh
  184. share/octopus/pseudopotentials/HGH/lda/Re.hgh
  185. share/octopus/pseudopotentials/HGH/lda/Rh.hgh
  186. share/octopus/pseudopotentials/HGH/lda/Rn.hgh
  187. share/octopus/pseudopotentials/HGH/lda/Ru.hgh
  188. share/octopus/pseudopotentials/HGH/lda/S.hgh
  189. share/octopus/pseudopotentials/HGH/lda/Sb.hgh
  190. share/octopus/pseudopotentials/HGH/lda/Sc.hgh
  191. share/octopus/pseudopotentials/HGH/lda/Se.hgh
  192. share/octopus/pseudopotentials/HGH/lda/Si.hgh
  193. share/octopus/pseudopotentials/HGH/lda/Sn.hgh
  194. share/octopus/pseudopotentials/HGH/lda/Sr.hgh
  195. share/octopus/pseudopotentials/HGH/lda/T.hgh
  196. share/octopus/pseudopotentials/HGH/lda/Ta.hgh
  197. share/octopus/pseudopotentials/HGH/lda/Tc.hgh
  198. share/octopus/pseudopotentials/HGH/lda/Te.hgh
  199. share/octopus/pseudopotentials/HGH/lda/Ti.hgh
  200. share/octopus/pseudopotentials/HGH/lda/Tl.hgh
  201. share/octopus/pseudopotentials/HGH/lda/V.hgh
  202. share/octopus/pseudopotentials/HGH/lda/W.hgh
  203. share/octopus/pseudopotentials/HGH/lda/Xe.hgh
  204. share/octopus/pseudopotentials/HGH/lda/Y.hgh
  205. share/octopus/pseudopotentials/HGH/lda/Zn.hgh
  206. share/octopus/pseudopotentials/HGH/lda/Zr.hgh
  207. share/octopus/pseudopotentials/HGH/lda_sc/Ag_sc.hgh
  208. share/octopus/pseudopotentials/HGH/lda_sc/Au_sc.hgh
  209. share/octopus/pseudopotentials/HGH/lda_sc/Ba_sc.hgh
  210. share/octopus/pseudopotentials/HGH/lda_sc/Be_sc.hgh
  211. share/octopus/pseudopotentials/HGH/lda_sc/Ca_sc.hgh
  212. share/octopus/pseudopotentials/HGH/lda_sc/Cd_sc.hgh
  213. share/octopus/pseudopotentials/HGH/lda_sc/Ce_sc.hgh
  214. share/octopus/pseudopotentials/HGH/lda_sc/Co_sc.hgh
  215. share/octopus/pseudopotentials/HGH/lda_sc/Cr_sc.hgh
  216. share/octopus/pseudopotentials/HGH/lda_sc/Cs_sc.hgh
  217. share/octopus/pseudopotentials/HGH/lda_sc/Cu_sc.hgh
  218. share/octopus/pseudopotentials/HGH/lda_sc/Dy_sc.hgh
  219. share/octopus/pseudopotentials/HGH/lda_sc/Er_sc.hgh
  220. share/octopus/pseudopotentials/HGH/lda_sc/Eu_sc.hgh
  221. share/octopus/pseudopotentials/HGH/lda_sc/Fe_sc.hgh
  222. share/octopus/pseudopotentials/HGH/lda_sc/Ga_sc.hgh
  223. share/octopus/pseudopotentials/HGH/lda_sc/Gd_sc.hgh
  224. share/octopus/pseudopotentials/HGH/lda_sc/Hf_sc.hgh
  225. share/octopus/pseudopotentials/HGH/lda_sc/Hg_sc.hgh
  226. share/octopus/pseudopotentials/HGH/lda_sc/Ho_sc.hgh
  227. share/octopus/pseudopotentials/HGH/lda_sc/In_sc.hgh
  228. share/octopus/pseudopotentials/HGH/lda_sc/Ir_sc.hgh
  229. share/octopus/pseudopotentials/HGH/lda_sc/K_sc.hgh
  230. share/octopus/pseudopotentials/HGH/lda_sc/La_sc.hgh
  231. share/octopus/pseudopotentials/HGH/lda_sc/Li_sc.hgh
  232. share/octopus/pseudopotentials/HGH/lda_sc/Lu_sc.hgh
  233. share/octopus/pseudopotentials/HGH/lda_sc/Mg_sc.hgh
  234. share/octopus/pseudopotentials/HGH/lda_sc/Mn_sc.hgh
  235. share/octopus/pseudopotentials/HGH/lda_sc/Mo_sc.hgh
  236. share/octopus/pseudopotentials/HGH/lda_sc/Na_sc.hgh
  237. share/octopus/pseudopotentials/HGH/lda_sc/Nb_sc.hgh
  238. share/octopus/pseudopotentials/HGH/lda_sc/Nd_sc.hgh
  239. share/octopus/pseudopotentials/HGH/lda_sc/Ni_sc.hgh
  240. share/octopus/pseudopotentials/HGH/lda_sc/Os_sc.hgh
  241. share/octopus/pseudopotentials/HGH/lda_sc/Pd_sc.hgh
  242. share/octopus/pseudopotentials/HGH/lda_sc/Pm_sc.hgh
  243. share/octopus/pseudopotentials/HGH/lda_sc/Pr_sc.hgh
  244. share/octopus/pseudopotentials/HGH/lda_sc/Pt_sc.hgh
  245. share/octopus/pseudopotentials/HGH/lda_sc/Rb_sc.hgh
  246. share/octopus/pseudopotentials/HGH/lda_sc/Re_sc.hgh
  247. share/octopus/pseudopotentials/HGH/lda_sc/Rh_sc.hgh
  248. share/octopus/pseudopotentials/HGH/lda_sc/Ru_sc.hgh
  249. share/octopus/pseudopotentials/HGH/lda_sc/Sc_sc.hgh
  250. share/octopus/pseudopotentials/HGH/lda_sc/Sm_sc.hgh
  251. share/octopus/pseudopotentials/HGH/lda_sc/Sr_sc.hgh
  252. share/octopus/pseudopotentials/HGH/lda_sc/Ta_sc.hgh
  253. share/octopus/pseudopotentials/HGH/lda_sc/Tb_sc.hgh
  254. share/octopus/pseudopotentials/HGH/lda_sc/Tc_sc.hgh
  255. share/octopus/pseudopotentials/HGH/lda_sc/Ti_sc.hgh
  256. share/octopus/pseudopotentials/HGH/lda_sc/Tl_sc.hgh
  257. share/octopus/pseudopotentials/HGH/lda_sc/Tm_sc.hgh
  258. share/octopus/pseudopotentials/HGH/lda_sc/V_sc.hgh
  259. share/octopus/pseudopotentials/HGH/lda_sc/W_sc.hgh
  260. share/octopus/pseudopotentials/HGH/lda_sc/Y_sc.hgh
  261. share/octopus/pseudopotentials/HGH/lda_sc/Yb_sc.hgh
  262. share/octopus/pseudopotentials/HGH/lda_sc/Zn_sc.hgh
  263. share/octopus/pseudopotentials/HGH/lda_sc/Zr_sc.hgh
  264. share/octopus/pseudopotentials/PSF/C.psf
  265. share/octopus/pseudopotentials/PSF/Cd.psf
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  277. share/octopus/pseudopotentials/PSF/set_defaults
  278. share/octopus/pseudopotentials/elements.dat
  279. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ag.upf
  280. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Al.upf
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  284. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/As.upf
  285. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Au.upf
  286. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/B.upf
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  292. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Br.upf
  293. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/C.upf
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  296. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cd.upf
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  317. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/I.upf
  318. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/In.upf
  319. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ir.upf
  320. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/K.upf
  321. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Kr.upf
  322. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/La.upf
  323. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Li.upf
  324. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Li.upf.spacing
  325. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Lu.upf
  326. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Mg.upf
  327. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Mn.upf
  328. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Mo.upf
  329. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/N.upf
  330. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/N.upf.spacing
  331. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Na.upf
  332. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Na.upf.spacing
  333. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Nb.upf
  334. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ne.upf
  335. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ne.upf.spacing
  336. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ni.upf
  337. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/O.upf
  338. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/O.upf.spacing
  339. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Os.upf
  340. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/P.upf
  341. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Pb.upf
  342. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Pd.upf
  343. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Po.upf
  344. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Pt.upf
  345. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Rb.upf
  346. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Re.upf
  347. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Rh.upf
  348. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Rn.upf
  349. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ru.upf
  350. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/S.upf
  351. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/S.upf.spacing
  352. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sb.upf
  353. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sc.upf
  354. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Se.upf
  355. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Si.upf
  356. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Si.upf.spacing
  357. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sn.upf
  358. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sr.upf
  359. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/T.upf
  360. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/T.upf.spacing
  361. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ta.upf
  362. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Tc.upf
  363. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Te.upf
  364. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ti.upf
  365. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Tl.upf
  366. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/V.upf
  367. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/W.upf
  368. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Xe.upf
  369. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Y.upf
  370. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Zn.upf
  371. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Zr.upf
  372. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ag.upf
  373. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Al.upf
  374. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ar.upf
  375. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/As.upf
  376. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Au.upf
  377. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/B.upf
  378. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ba.upf
  379. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Be.upf
  380. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Bi.upf
  381. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Br.upf
  382. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/C.upf
  383. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ca.upf
  384. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Cd.upf
  385. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Cl.upf
  386. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Co.upf
  387. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Cr.upf
  388. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Cs.upf
  389. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Cu.upf
  390. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/D.upf
  391. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/F.upf
  392. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Fe.upf
  393. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ga.upf
  394. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ge.upf
  395. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/H.upf
  396. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/He.upf
  397. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Hf.upf
  398. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Hg.upf
  399. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/I.upf
  400. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/In.upf
  401. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ir.upf
  402. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/K.upf
  403. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Kr.upf
  404. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/La.upf
  405. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Li.upf
  406. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Lu.upf
  407. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Mg.upf
  408. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Mn.upf
  409. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Mo.upf
  410. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/N.upf
  411. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Na.upf
  412. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Nb.upf
  413. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ne.upf
  414. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ni.upf
  415. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/O.upf
  416. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Os.upf
  417. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/P.upf
  418. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Pb.upf
  419. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Pd.upf
  420. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Po.upf
  421. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Pt.upf
  422. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Rb.upf
  423. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Re.upf
  424. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Rh.upf
  425. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Rn.upf
  426. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ru.upf
  427. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/S.upf
  428. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Sb.upf
  429. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Sc.upf
  430. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Se.upf
  431. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Si.upf
  432. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Sn.upf
  433. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Sr.upf
  434. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/T.upf
  435. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ta.upf
  436. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Tc.upf
  437. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Te.upf
  438. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ti.upf
  439. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Tl.upf
  440. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/V.upf
  441. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/W.upf
  442. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Xe.upf
  443. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Y.upf
  444. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Zn.upf
  445. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Zr.upf
  446. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ag.upf
  447. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Al.upf
  448. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ar.upf
  449. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/As.upf
  450. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Au.upf
  451. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/B.upf
  452. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ba.upf
  453. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Be.upf
  454. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Bi.upf
  455. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Br.upf
  456. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/C.upf
  457. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ca.upf
  458. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Cd.upf
  459. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Cl.upf
  460. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Co.upf
  461. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Cr.upf
  462. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Cs.upf
  463. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Cu.upf
  464. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/D.upf
  465. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/F.upf
  466. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Fe.upf
  467. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ga.upf
  468. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ge.upf
  469. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/H.upf
  470. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/He.upf
  471. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Hf.upf
  472. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Hg.upf
  473. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/I.upf
  474. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/In.upf
  475. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ir.upf
  476. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/K.upf
  477. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Kr.upf
  478. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Li.upf
  479. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Mg.upf
  480. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Mn.upf
  481. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Mo.upf
  482. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/N.upf
  483. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Na.upf
  484. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Nb.upf
  485. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ne.upf
  486. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ni.upf
  487. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/O.upf
  488. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Os.upf
  489. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/P.upf
  490. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Pb.upf
  491. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Pd.upf
  492. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Po.upf
  493. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Pt.upf
  494. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Rb.upf
  495. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Re.upf
  496. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Rh.upf
  497. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Rn.upf
  498. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ru.upf
  499. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/S.upf
  500. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Sb.upf
  501. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Sc.upf
  502. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Se.upf
  503. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Si.upf
  504. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Sn.upf
  505. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Sr.upf
  506. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/T.upf
  507. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ta.upf
  508. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Tc.upf
  509. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Te.upf
  510. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ti.upf
  511. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Tl.upf
  512. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/V.upf
  513. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/W.upf
  514. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Xe.upf
  515. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Y.upf
  516. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Zn.upf
  517. share/octopus/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Zr.upf
  518. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Ac_HSCV_LDA-1.0.xml
  519. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Ag_HSCV_LDA-1.0.xml
  520. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Al_HSCV_LDA-1.0.xml
  521. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Ar_HSCV_LDA-1.0.xml
  522. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/As_HSCV_LDA-1.0.xml
  523. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/At_HSCV_LDA-1.0.xml
  524. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Au_HSCV_LDA-1.0.xml
  525. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/B_HSCV_LDA-1.0.xml
  526. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Ba_HSCV_LDA-1.0.xml
  527. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Bi_HSCV_LDA-1.0.xml
  528. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Br_HSCV_LDA-1.0.xml
  529. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/C_HSCV_LDA-1.0.xml
  530. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Ca_HSCV_LDA-1.0.xml
  531. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Cd_HSCV_LDA-1.0.xml
  532. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Ce_HSCV_LDA-1.0.xml
  533. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Cl_HSCV_LDA-1.0.xml
  534. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Co_HSCV_LDA-1.0.xml
  535. share/octopus/pseudopotentials/quantum-simulation.org/hscv/lda/Cr_HSCV_LDA-1.0.xml
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  789. share/octopus/recipes/eu/txipiroiak_bere_tintan.txt
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  2013. share/octopus/testsuite/symmetries/06-cubic.10-spg204.inp
  2014. share/octopus/testsuite/symmetries/06-cubic.11-spg205.inp
  2015. share/octopus/testsuite/symmetries/06-cubic.12-spg206.inp
  2016. share/octopus/testsuite/symmetries/06-cubic.13-spg207.inp
  2017. share/octopus/testsuite/symmetries/06-cubic.14-spg208.inp
  2018. share/octopus/testsuite/symmetries/06-cubic.15-spg209.inp
  2019. share/octopus/testsuite/symmetries/06-cubic.16-spg210.inp
  2020. share/octopus/testsuite/symmetries/06-cubic.17-spg211.inp
  2021. share/octopus/testsuite/symmetries/06-cubic.18-spg212.inp
  2022. share/octopus/testsuite/symmetries/06-cubic.19-spg213.inp
  2023. share/octopus/testsuite/symmetries/06-cubic.20-spg214.inp
  2024. share/octopus/testsuite/symmetries/06-cubic.21-spg215.inp
  2025. share/octopus/testsuite/symmetries/06-cubic.22-spg216.inp
  2026. share/octopus/testsuite/symmetries/06-cubic.23-spg217.inp
  2027. share/octopus/testsuite/symmetries/06-cubic.24-spg218.inp
  2028. share/octopus/testsuite/symmetries/06-cubic.25-spg219.inp
  2029. share/octopus/testsuite/symmetries/06-cubic.26-spg220.inp
  2030. share/octopus/testsuite/symmetries/06-cubic.27-spg221.inp
  2031. share/octopus/testsuite/symmetries/06-cubic.28-spg222.inp
  2032. share/octopus/testsuite/symmetries/06-cubic.29-spg223.inp
  2033. share/octopus/testsuite/symmetries/06-cubic.30-spg224.inp
  2034. share/octopus/testsuite/symmetries/06-cubic.31-spg225.inp
  2035. share/octopus/testsuite/symmetries/06-cubic.32-spg226.inp
  2036. share/octopus/testsuite/symmetries/06-cubic.33-spg227.inp
  2037. share/octopus/testsuite/symmetries/06-cubic.34-spg228.inp
  2038. share/octopus/testsuite/symmetries/06-cubic.35-spg229.inp
  2039. share/octopus/testsuite/symmetries/06-cubic.36-spg230.inp
  2040. share/octopus/testsuite/symmetries/06-cubic.test
  2041. share/octopus/testsuite/symmetries/07-symmetrization_lda.01-spg2_sym.inp
  2042. share/octopus/testsuite/symmetries/07-symmetrization_lda.02-spg16_sym.inp
  2043. share/octopus/testsuite/symmetries/07-symmetrization_lda.03-spg75_sym.inp
  2044. share/octopus/testsuite/symmetries/07-symmetrization_lda.test
  2045. share/octopus/testsuite/symmetries/08-symmetrization_mgga.01-spg3_sym.inp
  2046. share/octopus/testsuite/symmetries/08-symmetrization_mgga.test
  2047. share/octopus/testsuite/symmetries/09-symmetrization_gga.01-spg143_nosym.inp
  2048. share/octopus/testsuite/symmetries/09-symmetrization_gga.02-spg143_sym.inp
  2049. share/octopus/testsuite/symmetries/09-symmetrization_gga.test
  2050. share/octopus/testsuite/tutorials/01-octopus_basics-getting_started.01-H_atom.inp
  2051. share/octopus/testsuite/tutorials/01-octopus_basics-getting_started.02-H_atom_spin.inp
  2052. share/octopus/testsuite/tutorials/01-octopus_basics-getting_started.03-H_atom_independent.inp
  2053. share/octopus/testsuite/tutorials/01-octopus_basics-getting_started.test
  2054. share/octopus/testsuite/tutorials/02-octopus_basics-basic_input_options.01-N_atom.inp
  2055. share/octopus/testsuite/tutorials/02-octopus_basics-basic_input_options.test
  2056. share/octopus/testsuite/tutorials/03-octopus_basics-total_energy_convergence.01-N_atom.inp
  2057. share/octopus/testsuite/tutorials/03-octopus_basics-total_energy_convergence.02-methane.inp
  2058. share/octopus/testsuite/tutorials/03-octopus_basics-total_energy_convergence.test
  2059. share/octopus/testsuite/tutorials/04-octopus_basics-visualization.01-benzene.inp
  2060. share/octopus/testsuite/tutorials/04-octopus_basics-visualization.test
  2061. share/octopus/testsuite/tutorials/05-octopus_basics-centering_a_geometry.01-tAB.inp
  2062. share/octopus/testsuite/tutorials/05-octopus_basics-centering_a_geometry.test
  2063. share/octopus/testsuite/tutorials/06-octopus_basics-periodic_systems.01-silicon.inp
  2064. share/octopus/testsuite/tutorials/06-octopus_basics-periodic_systems.02-silicon_converged.inp
  2065. share/octopus/testsuite/tutorials/06-octopus_basics-periodic_systems.03-bandstructure.inp
  2066. share/octopus/testsuite/tutorials/06-octopus_basics-periodic_systems.test
  2067. share/octopus/testsuite/tutorials/07-octopus_basics-time_dependent_propagation.01-gs.inp
  2068. share/octopus/testsuite/tutorials/07-octopus_basics-time_dependent_propagation.02-td.inp
  2069. share/octopus/testsuite/tutorials/07-octopus_basics-time_dependent_propagation.03-td_laser.inp
  2070. share/octopus/testsuite/tutorials/07-octopus_basics-time_dependent_propagation.test
  2071. share/octopus/testsuite/tutorials/N.xyz
  2072. share/octopus/testsuite/tutorials/benzene.xyz
  2073. share/octopus/testsuite/tutorials/tAB.xyz
  2074. share/octopus/util/README
  2075. share/octopus/util/display_mesh_index.gp
  2076. share/octopus/util/mf.cfg
  2077. share/octopus/util/mf.net
  2078. share/octopus/variables
  2079. share/octopus/varinfo
  2080. @owner
  2081. @group
  2082. @mode
Collapse this list.
Dependency lines:
  • octopus>0:science/octopus
To install the port:
cd /usr/ports/science/octopus/ && make install clean
To add the package, run one of these commands:
  • pkg install science/octopus
  • pkg install octopus
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: octopus
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1699299691 SHA256 (octopus-13.0.tar.gz) = b4d0fd496c31a9c4aa4677360e631765049373131e61f396b00048235057aeb1 SIZE (octopus-13.0.tar.gz) = 43659771

Packages (timestamps in pop-ups are UTC):
octopus
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-13.0_2------
FreeBSD:13:quarterly-13.0_1------
FreeBSD:14:latest-13.0_1------
FreeBSD:14:quarterly-13.0_1------
FreeBSD:15:latest-13.0_1n/a-n/a---
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. bash : shells/bash
  2. gfortran13 : lang/gcc13
  3. gmake>=4.4.1 : devel/gmake
  4. python3.9 : lang/python39
  5. as : devel/binutils
  6. perl5>=5.36<5.37 : lang/perl5.36
Test dependencies:
  1. python3.9 : lang/python39
Runtime dependencies:
  1. gfortran13 : lang/gcc13
  2. python3.9 : lang/python39
  3. perl5>=5.36<5.37 : lang/perl5.36
Library dependencies:
  1. libarpack.so : math/arpack-ng
  2. libblas.so : math/blas
  3. libfftw3.so : math/fftw3
  4. libfontconfig.so : x11-fonts/fontconfig
  5. libfreetype.so : print/freetype2
  6. libgd.so : graphics/gd
  7. libgmp.so : math/gmp
  8. libgsl.so : math/gsl
  9. liblapack.so : math/lapack
  10. libmpfr.so : math/mpfr
  11. libnlopt.so : math/nlopt
  12. libpng.so : graphics/png
  13. libsymspg.so : science/spglib
  14. libtiff.so : graphics/tiff
  15. libvdwxcfort.so : science/libvdwxc
  16. libwebp.so : graphics/webp
  17. libxc.so : science/libxc
  18. libyaml.so : textproc/libyaml
  19. libjpeg.so : graphics/jpeg-turbo
There are no ports dependent upon this port

Configuration Options:
===> The following configuration options are available for octopus-13.0_2: OPENMP=on: Parallel processing support via OpenMP ===> Use 'make config' to modify these settings
Options name:
science_octopus
USES:
compiler:c++14-lang fortran gmake jpeg libtool localbase:ldflags perl5 python shebangfix
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://octopus-code.org/download/13.0/
Collapse this list.

Number of commits found: 44

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
13.0_2
21 Mar 2024 17:10:16
commit hash: 496e64e4c808f55b5bde93800a3d09accb43fa1dcommit hash: 496e64e4c808f55b5bde93800a3d09accb43fa1dcommit hash: 496e64e4c808f55b5bde93800a3d09accb43fa1dcommit hash: 496e64e4c808f55b5bde93800a3d09accb43fa1d files touched by this commit
Nuno Teixeira (eduardo) search for other commits by this committer
science/octopus: Move man pages to share/man

Approved by:	portmgr (blanket)
13.0_1
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
13.0
06 Nov 2023 23:22:33
commit hash: ffa8992157df1abee61aa925d8e109dc89070dcccommit hash: ffa8992157df1abee61aa925d8e109dc89070dcccommit hash: ffa8992157df1abee61aa925d8e109dc89070dcccommit hash: ffa8992157df1abee61aa925d8e109dc89070dcc files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/octopus: update 11.4 → 13.0
11.4_5
11 Sep 2023 06:51:41
commit hash: 773d13870c68007ee3b01e6b40bfdaadad32bac1commit hash: 773d13870c68007ee3b01e6b40bfdaadad32bac1commit hash: 773d13870c68007ee3b01e6b40bfdaadad32bac1commit hash: 773d13870c68007ee3b01e6b40bfdaadad32bac1 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/{,py-}spglib: update 2.0.2 → 2.1.0

Reported by:	portscout
11.4_4
28 Jul 2023 17:13:17
commit hash: 664a2fa1e56e670a356f54c94389bdb47d868f3fcommit hash: 664a2fa1e56e670a356f54c94389bdb47d868f3fcommit hash: 664a2fa1e56e670a356f54c94389bdb47d868f3fcommit hash: 664a2fa1e56e670a356f54c94389bdb47d868f3f files touched by this commit
Daniel Engberg (diizzy) search for other commits by this committer
*/*: Bump jpeg-turbo users treewide

New major version 3.0.0
11.4_3
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
11.4_2
05 Nov 2022 14:47:18
commit hash: cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash: cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash: cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash: cceff449fd65e82dae764ff16b72000d1cd0454b files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
science/*: bump PORTREVISION in consumers of libXC
11.4_1
30 Oct 2022 20:11:58
commit hash: 0e853a10fc56a3e2d827db16629dde19374a0de2commit hash: 0e853a10fc56a3e2d827db16629dde19374a0de2commit hash: 0e853a10fc56a3e2d827db16629dde19374a0de2commit hash: 0e853a10fc56a3e2d827db16629dde19374a0de2 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/octopus: Add USE_GCC=11

octopus isn't yet compatible with gcc-12.

PR:		266196
Reported by:	salvadore@
11.4_1
08 Oct 2022 02:36:41
commit hash: 1390f547a0895eb70d2fb760602b696b8bd4ec21commit hash: 1390f547a0895eb70d2fb760602b696b8bd4ec21commit hash: 1390f547a0895eb70d2fb760602b696b8bd4ec21commit hash: 1390f547a0895eb70d2fb760602b696b8bd4ec21 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/spglib: Update 1.16.5 -> 2.0.1
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)
11.4
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)
11.4
31 May 2022 09:12:09
commit hash: 1f912cdd93dc9bcc135758b78147cdbd5bc3cecdcommit hash: 1f912cdd93dc9bcc135758b78147cdbd5bc3cecdcommit hash: 1f912cdd93dc9bcc135758b78147cdbd5bc3cecdcommit hash: 1f912cdd93dc9bcc135758b78147cdbd5bc3cecd files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/octopus: Cosmetic changes
11.4
31 May 2022 09:01:23
commit hash: ffbb11a7fc771fe0d00ffa61872b28fc744d1326commit hash: ffbb11a7fc771fe0d00ffa61872b28fc744d1326commit hash: ffbb11a7fc771fe0d00ffa61872b28fc744d1326commit hash: ffbb11a7fc771fe0d00ffa61872b28fc744d1326 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/octopus: Update 11.3 -> 11.4
11.3_1
20 Mar 2022 18:24:41
commit hash: 7ba8d98230ed4a7781bfafed7ded1396281b5551commit hash: 7ba8d98230ed4a7781bfafed7ded1396281b5551commit hash: 7ba8d98230ed4a7781bfafed7ded1396281b5551commit hash: 7ba8d98230ed4a7781bfafed7ded1396281b5551 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/octopus: Broken on aarch64

Reported by:	portscout
11.3_1
12 Jan 2022 19:41:22
commit hash: 654acd81409d31495f8b1b11db61e1afbf640981commit hash: 654acd81409d31495f8b1b11db61e1afbf640981commit hash: 654acd81409d31495f8b1b11db61e1afbf640981commit hash: 654acd81409d31495f8b1b11db61e1afbf640981 files touched by this commit
Tobias C. Berner (tcberner) search for other commits by this committer
math/gsl: bump portrevision of consumers after update to 2.7.1

PR:		260201
11.3
06 Jan 2022 21:53:38
commit hash: f14c2607f943a74cbd3a62a2a245383cf6c325f5commit hash: f14c2607f943a74cbd3a62a2a245383cf6c325f5commit hash: f14c2607f943a74cbd3a62a2a245383cf6c325f5commit hash: f14c2607f943a74cbd3a62a2a245383cf6c325f5 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/octopus: Backport the fix for testsuite
11.3
06 Jan 2022 00:22:45
commit hash: 78f4a2d9e206c6e957b3b26be334014b7a6cd8a7commit hash: 78f4a2d9e206c6e957b3b26be334014b7a6cd8a7commit hash: 78f4a2d9e206c6e957b3b26be334014b7a6cd8a7commit hash: 78f4a2d9e206c6e957b3b26be334014b7a6cd8a7 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/octopus: Update 10.5 -> 11.3
10.5_1
16 Aug 2021 01:32:15
commit hash: d1a76744daede62373f274cb9eb6e120b6b6be1acommit hash: d1a76744daede62373f274cb9eb6e120b6b6be1acommit hash: d1a76744daede62373f274cb9eb6e120b6b6be1acommit hash: d1a76744daede62373f274cb9eb6e120b6b6be1a files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/[,py-]spglib: Update 1.16.1 -> 1.16.2

Reported by:	portscout
10.5
09 Aug 2021 01:57:37
commit hash: da1834d8a9585e0abbc3305d14f8a61537c01bc0commit hash: da1834d8a9585e0abbc3305d14f8a61537c01bc0commit hash: da1834d8a9585e0abbc3305d14f8a61537c01bc0commit hash: da1834d8a9585e0abbc3305d14f8a61537c01bc0 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/octopus: Update 10.3 -> 10.5
10.3_1
16 Jun 2021 19:31:27
commit hash: 63e653adaa7493aa98f17f9fbc834c0aed7e096ecommit hash: 63e653adaa7493aa98f17f9fbc834c0aed7e096ecommit hash: 63e653adaa7493aa98f17f9fbc834c0aed7e096ecommit hash: 63e653adaa7493aa98f17f9fbc834c0aed7e096e files touched by this commit
Tobias C. Berner (tcberner) search for other commits by this committer
math/gsl: update to 2.7

From [1]

* What is new in gsl-2.7:
	* fixed doc bug for gsl_histogram_min_bin (lhcsky at 163.com)
	* fixed bug #60335 (spmatrix test failure, J. Lamb)
	* fixed bug #36577
	* clarified documentation on interpolation accelerators (V. Krishnan)
	* fixed bug #45521 (erroneous GSL_ERROR_NULL in ode-initval2, thanks to M.
Sitte)
	* fixed doc bug #59758
	* fixed bug #58202 (rstat median for n=5)
	* added support for native C complex number types in gsl_complex
	   when using a C11 compiler
	* upgraded to autoconf 2.71, automake 1.16.3, libtool 2.4.6
(Only the first 15 lines of the commit message are shown above View all of this commit message)
10.3
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
10.3
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.
10.3
12 Jan 2021 07:49:47
Revision:561302Original commit files touched by this commit
yuri search for other commits by this committer
science/octopus: Update 10.1 -> 10.3
10.1
17 Nov 2020 22:39:17
Revision:555605Original commit files touched by this commit
linimon search for other commits by this committer
Add workaround for new failure with Fortran GCC 10 frontend:

  BOZ literal constant at (1) is neither a data-stmt-constant nor an actual
argument to INT, REAL, DBLE, or CMPLX intrinsic function

PR:		246700
Approved by:	maintainer
10.1
13 Oct 2020 05:36:02
Revision:552182Original commit files touched by this commit
yuri search for other commits by this committer
science/octopus: Update 9.2 -> 10.1
9.2_1
16 May 2020 10:03:40
Revision:535375Original commit files touched by this commit
antoine search for other commits by this committer
Mark BROKEN

gfortran9 -I/usr/local/include -ffree-line-length-none
-Wl,-rpath=/usr/local/lib/gcc9 -fopenmp -I ../external_libs/bpdn -I
../external_libs/dftd3 -I ../external_libs/spglib-1.9.9/src/ -I /usr/include  
-I/usr/include -I /include  -c  -o species/atomic.o species/atomic_oct.f90
f951: Warning: Nonexistent include directory
'../external_libs/spglib-1.9.9/src/' [-Wmissing-include-dirs]
f951: Warning: Nonexistent include directory '/include' [-Wmissing-include-dirs]
species/atomic.F90:299:26:

  299 |     type(XC_F90(pointer_t)) :: x_conf, c_conf
      |                          1
Error: Derived type 'xc_f90_pointer_t' at (1) is being used before it is defined
species/atomic.F90:300:26:

  300 |     type(XC_F90(pointer_t)) :: x_info, c_info
      |                          1
Error: Derived type 'xc_f90_pointer_t' at (1) is being used before it is defined
(Only the first 15 lines of the commit message are shown above View all of this commit message)
9.2_1
04 May 2020 21:31:39
Revision:533989Original commit files touched by this commit
dinoex search for other commits by this committer
- update libgd to 2.3.0
- new option RAQM
- resurrect deprecated gdlib-config
- bump dependend ports
9.2
05 Apr 2020 01:17:40
Revision:530734Original commit files touched by this commit
yuri search for other commits by this committer
science/octopus: Update 8.4 -> 9.2
8.4_3
04 Apr 2020 23:35:13
Revision:530732Original commit files touched by this commit
yuri search for other commits by this committer
science/octopus: Correct URL
8.4_3
04 Apr 2020 23:32:09
Revision:530731Original commit files touched by this commit
yuri search for other commits by this committer
science/octopus: Unbreak by correcting MASTER_SITES: the project has moved to a
new URL
8.4_3
04 Apr 2020 20:51:41
Revision:530719Original commit files touched by this commit Sanity Test Failure
antoine search for other commits by this committer
Deprecate ports broken for more than 6 months
8.4_3
06 Nov 2019 16:26:35
Revision:516897Original commit files touched by this commit
antoine search for other commits by this committer
Mark a few ports BROKEN (unfetchable)
8.4_3
25 Oct 2019 23:41:34
Revision:515671Original commit files touched by this commit
tcberner search for other commits by this committer
math/gsl: update to 2.6

- math/p5-Math-GSL does not seem to have any upstream activity to make it work
with this version -> mark it broken
  - this also breaks the two consumers of this port

- biology/gemma: has a conflict with cblas, and is makred broken.

PR:		241363
Exp-run by:	antoine
8.4_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
8.4_1
16 Jun 2019 16:05:29
Revision:504353Original commit files touched by this commit
antoine search for other commits by this committer
Clean up LIB_DEPENDS
8.4_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
8.4
07 Apr 2019 03:06:29
Revision:498241Original commit files touched by this commit
yuri search for other commits by this committer
science/octopus: Update 8.3 -> 8.4
8.3_1
20 Jan 2019 01:22:46
Revision:490769Original commit files touched by this commit
yuri search for other commits by this committer
science/octopus: patches
8.3_1
20 Jan 2019 01:04:40
Revision:490766Original commit files touched by this commit
yuri search for other commits by this committer
science/octopus: Unbundle spglib; Add OPENMP option that makes it parallelized
by default
8.3
14 Dec 2018 02:21:27
Revision:487402Original commit files touched by this commit
yuri search for other commits by this committer
science/octopus: Update 8.2 -> 8.3

Reported by:	repology
8.2_3
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
8.2_2
20 Oct 2018 23:29:28
Revision:482633Original commit files touched by this commit
yuri search for other commits by this committer
science/libxc: Update 3.0.0 -> 4.2.3

PR:		231648
Approved by:	dieterich@ogolem.org (maintainer's timeout; 27 days)
8.2_1
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
8.2
24 Aug 2018 17:54:04
Revision:477973Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/octopus: Scientific program aimed at the ab initio virtual
experimentation

Number of commits found: 44