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Port details
mpqc Massively Parallel Quantum Chemistry Program
2.3.1_51 science on this many watch lists=1 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 2.3.1_49Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2001-06-11 00:27:05
Last Update: 2024-03-25 18:41:04
Commit Hash: 020b19c
People watching this port, also watch:: pnetcdf, hourglass
Also Listed In: parallel
License: GPLv2
WWW:
https://mpqc.org/
Description:
MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrodinger equation. It runs on a wide range of architectures ranging from single many-core computers to massively parallel computers. Its design is object oriented, using the C++ programming language. Capabilities * Closed shell, unrestricted and general restricted open shell Hartree-Fock energies and gradients. * Closed shell, unrestricted and general restricted open shell density functional theory energies and gradients. * Second order open shell perturbation theory (OPT2[2]) and Z-averaged perturbation theory (ZAPT2) energies. * Second order closed shell Moller-Plesset perturbation theory energies and gradients. * Second order Moller-Plesset perturbation theory including an R12/F12 correlation factor. Energies of closed- and open-shell systems are supported. * Explicitly-correlated R12/F12 coupled-cluster methods via interface to Psi3 code and via native (experimental) implementation. * Explicitly-correlated multireference methods (MRCI, CASPT2) via interfaces to GAMESS and MOLCAS codes. * Robust internal coordinate geometry optimizer that efficiently optimizes molecules with many degrees of freedom. Nearly arbitrary internal coordinate constraints can be handled. You can also validate your mpqc binaries when you employ other settings by: % make validate >& validate.log & (it may take few days, though) For details, please see file:///usr/local/share/doc/mpqc/hierarchy.html or http://www.mpqc.org/mpqc-html/mpqcval.html
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 (6614 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/mpqc-2.3.1_51/catalog.mk
  3. /usr/local/share/licenses/mpqc-2.3.1_51/LICENSE
  4. /usr/local/share/licenses/mpqc-2.3.1_51/GPLv2
  5. bin/ccarun
  6. bin/chkmpqcout
  7. bin/molrender
  8. bin/mpqc
  9. bin/mpqcrun
  10. bin/sc-config
  11. bin/sc-libtool
  12. bin/sc-mkf77sym
  13. bin/scls
  14. bin/scpr
  15. bin/tkmolrender
  16. include/chemistry/molecule/LIBS.h
  17. include/chemistry/molecule/atominfo.h
  18. include/chemistry/molecule/coor.h
  19. include/chemistry/molecule/energy.h
  20. include/chemistry/molecule/fdhess.h
  21. include/chemistry/molecule/formula.h
  22. include/chemistry/molecule/hess.h
  23. include/chemistry/molecule/linkage.h
  24. include/chemistry/molecule/localdef.h
  25. include/chemistry/molecule/molecule.h
  26. include/chemistry/molecule/molfreq.h
  27. include/chemistry/molecule/molrender.h
  28. include/chemistry/molecule/molshape.h
  29. include/chemistry/molecule/simple.h
  30. include/chemistry/molecule/taylor.h
  31. include/chemistry/qc/basis/LIBS.h
  32. include/chemistry/qc/basis/basis.h
  33. include/chemistry/qc/basis/cartiter.h
  34. include/chemistry/qc/basis/dercent.h
  35. include/chemistry/qc/basis/distshpair.h
  36. include/chemistry/qc/basis/extent.h
  37. include/chemistry/qc/basis/f77sym.h
  38. include/chemistry/qc/basis/files.h
  39. include/chemistry/qc/basis/gaussbas.h
  40. include/chemistry/qc/basis/gaussshell.h
  41. include/chemistry/qc/basis/gpetite.h
  42. include/chemistry/qc/basis/integral.h
  43. include/chemistry/qc/basis/obint.h
  44. include/chemistry/qc/basis/orthog.h
  45. include/chemistry/qc/basis/petite.h
  46. include/chemistry/qc/basis/shellrot.h
  47. include/chemistry/qc/basis/sobasis.h
  48. include/chemistry/qc/basis/sointegral.h
  49. include/chemistry/qc/basis/symmint.h
  50. include/chemistry/qc/basis/tbint.h
  51. include/chemistry/qc/basis/transform.h
  52. include/chemistry/qc/cints/LIBS.h
  53. include/chemistry/qc/cints/cartit.h
  54. include/chemistry/qc/cints/cints.h
  55. include/chemistry/qc/cints/eri.h
  56. include/chemistry/qc/cints/eri_quartet_data.h
  57. include/chemistry/qc/cints/fjt.h
  58. include/chemistry/qc/cints/grt.h
  59. include/chemistry/qc/cints/grt_quartet_data.h
  60. include/chemistry/qc/cints/int1e.h
  61. include/chemistry/qc/cints/int2e.h
  62. include/chemistry/qc/cints/linkage.h
  63. include/chemistry/qc/cints/macros.h
  64. include/chemistry/qc/cints/obintcints.h
  65. include/chemistry/qc/cints/primpairs.h
  66. include/chemistry/qc/cints/shellpairs.h
  67. include/chemistry/qc/cints/static.h
  68. include/chemistry/qc/cints/storage.h
  69. include/chemistry/qc/cints/tbintcints.h
  70. include/chemistry/qc/cints/tform.h
  71. include/chemistry/qc/dft/LIBS.h
  72. include/chemistry/qc/dft/clks.h
  73. include/chemistry/qc/dft/clkstmpl.h
  74. include/chemistry/qc/dft/functional.h
  75. include/chemistry/qc/dft/hsosks.h
  76. include/chemistry/qc/dft/hsoskstmpl.h
  77. include/chemistry/qc/dft/integrator.h
  78. include/chemistry/qc/dft/linkage.h
  79. include/chemistry/qc/dft/uks.h
  80. include/chemistry/qc/dft/ukstmpl.h
  81. include/chemistry/qc/intv3/LIBS.h
  82. include/chemistry/qc/intv3/array.h
  83. include/chemistry/qc/intv3/cartitv3.h
  84. include/chemistry/qc/intv3/fjt.h
  85. include/chemistry/qc/intv3/flags.h
  86. include/chemistry/qc/intv3/int1e.h
  87. include/chemistry/qc/intv3/int2e.h
  88. include/chemistry/qc/intv3/intv3.h
  89. include/chemistry/qc/intv3/macros.h
  90. include/chemistry/qc/intv3/obintv3.h
  91. include/chemistry/qc/intv3/storage.h
  92. include/chemistry/qc/intv3/tbintv3.h
  93. include/chemistry/qc/intv3/tformv3.h
  94. include/chemistry/qc/intv3/types.h
  95. include/chemistry/qc/intv3/utils.h
  96. include/chemistry/qc/mbpt/LIBS.h
  97. include/chemistry/qc/mbpt/bzerofast.h
  98. include/chemistry/qc/mbpt/csgrad34qb.h
  99. include/chemistry/qc/mbpt/csgrade12.h
  100. include/chemistry/qc/mbpt/csgrads2pdm.h
  101. include/chemistry/qc/mbpt/hsosv1e1.h
  102. include/chemistry/qc/mbpt/linkage.h
  103. include/chemistry/qc/mbpt/mbpt.h
  104. include/chemistry/qc/mbpt/mp2extrap.h
  105. include/chemistry/qc/mbpt/util.h
  106. include/chemistry/qc/mbptr12/LIBS.h
  107. include/chemistry/qc/mbptr12/blas.h
  108. include/chemistry/qc/mbptr12/f77sym.h
  109. include/chemistry/qc/mbptr12/lapack.h
  110. include/chemistry/qc/mbptr12/linearr12.h
  111. include/chemistry/qc/mbptr12/linkage.h
  112. include/chemistry/qc/mbptr12/mbptr12.h
  113. include/chemistry/qc/mbptr12/moindexspace.h
  114. include/chemistry/qc/mbptr12/mp2r12_energy.h
  115. include/chemistry/qc/mbptr12/pairiter.h
  116. include/chemistry/qc/mbptr12/print_scmat_norms.h
  117. include/chemistry/qc/mbptr12/r12_amps.h
  118. include/chemistry/qc/mbptr12/r12ia.h
  119. include/chemistry/qc/mbptr12/r12ia_memgrp.h
  120. include/chemistry/qc/mbptr12/r12ia_mpiiofile.h
  121. include/chemistry/qc/mbptr12/r12ia_node0file.h
  122. include/chemistry/qc/mbptr12/r12int_eval.h
  123. include/chemistry/qc/mbptr12/svd.h
  124. include/chemistry/qc/mbptr12/transform_123inds.h
  125. include/chemistry/qc/mbptr12/transform_12inds.h
  126. include/chemistry/qc/mbptr12/transform_13inds.h
  127. include/chemistry/qc/mbptr12/transform_factory.h
  128. include/chemistry/qc/mbptr12/transform_ijxy.h
  129. include/chemistry/qc/mbptr12/transform_ikjy.h
  130. include/chemistry/qc/mbptr12/transform_ixjy.h
  131. include/chemistry/qc/mbptr12/transform_tbint.h
  132. include/chemistry/qc/mbptr12/twobodygrid.h
  133. include/chemistry/qc/mbptr12/vxb_eval_info.h
  134. include/chemistry/qc/oint3/LIBS.h
  135. include/chemistry/qc/oint3/build.h
  136. include/chemistry/qc/psi/LIBS.h
  137. include/chemistry/qc/psi/linkage.h
  138. include/chemistry/qc/psi/psiexenv.h
  139. include/chemistry/qc/psi/psifile11.h
  140. include/chemistry/qc/psi/psiinput.h
  141. include/chemistry/qc/psi/psiwfn.h
  142. include/chemistry/qc/scf/LIBS.h
  143. include/chemistry/qc/scf/clhf.h
  144. include/chemistry/qc/scf/clhftmpl.h
  145. include/chemistry/qc/scf/clscf.h
  146. include/chemistry/qc/scf/effh.h
  147. include/chemistry/qc/scf/gbuild.h
  148. include/chemistry/qc/scf/hsoshf.h
  149. include/chemistry/qc/scf/hsoshftmpl.h
  150. include/chemistry/qc/scf/hsosscf.h
  151. include/chemistry/qc/scf/lbgbuild.h
  152. include/chemistry/qc/scf/lgbuild.h
  153. include/chemistry/qc/scf/linkage.h
  154. include/chemistry/qc/scf/ltbgrad.h
  155. include/chemistry/qc/scf/osshf.h
  156. include/chemistry/qc/scf/osshftmpl.h
  157. include/chemistry/qc/scf/ossscf.h
  158. include/chemistry/qc/scf/scf.h
  159. include/chemistry/qc/scf/scflocal.h
  160. include/chemistry/qc/scf/scfops.h
  161. include/chemistry/qc/scf/tbgrad.h
  162. include/chemistry/qc/scf/tchf.h
  163. include/chemistry/qc/scf/tchftmpl.h
  164. include/chemistry/qc/scf/tcscf.h
  165. include/chemistry/qc/scf/uhf.h
  166. include/chemistry/qc/scf/uhftmpl.h
  167. include/chemistry/qc/scf/uscf.h
  168. include/chemistry/qc/wfn/LIBS.h
  169. include/chemistry/qc/wfn/accum.h
  170. include/chemistry/qc/wfn/density.h
  171. include/chemistry/qc/wfn/eht.h
  172. include/chemistry/qc/wfn/linkage.h
  173. include/chemistry/qc/wfn/obwfn.h
  174. include/chemistry/qc/wfn/orbital.h
  175. include/chemistry/qc/wfn/solvent.h
  176. include/chemistry/qc/wfn/wfn.h
  177. include/chemistry/solvent/LIBS.h
  178. include/chemistry/solvent/bem.h
  179. include/math/isosurf/LIBS.h
  180. include/math/isosurf/edge.h
  181. include/math/isosurf/implicit.h
  182. include/math/isosurf/isosurf.h
  183. include/math/isosurf/shape.h
  184. include/math/isosurf/surf.h
  185. include/math/isosurf/triangle.h
  186. include/math/isosurf/tricoef.h
  187. include/math/isosurf/vertex.h
  188. include/math/isosurf/volume.h
  189. include/math/isosurf/volume_i.h
  190. include/math/optimize/LIBS.h
  191. include/math/optimize/conv.h
  192. include/math/optimize/diis.h
  193. include/math/optimize/efc.h
  194. include/math/optimize/function.h
  195. include/math/optimize/gdiis.h
  196. include/math/optimize/linkage.h
  197. include/math/optimize/mcsearch.h
  198. include/math/optimize/newton.h
  199. include/math/optimize/opt.h
  200. include/math/optimize/qnewton.h
  201. include/math/optimize/scextrap.h
  202. include/math/optimize/scextrapmat.h
  203. include/math/optimize/steep.h
  204. include/math/optimize/transform.h
  205. include/math/optimize/update.h
  206. include/math/scmat/LIBS.h
  207. include/math/scmat/abstract.h
  208. include/math/scmat/blkiter.h
  209. include/math/scmat/block.h
  210. include/math/scmat/blocked.h
  211. include/math/scmat/cmatrix.h
  212. include/math/scmat/dim.h
  213. include/math/scmat/dist.h
  214. include/math/scmat/disthql.h
  215. include/math/scmat/elemop.h
  216. include/math/scmat/f77sym.h
  217. include/math/scmat/linkage.h
  218. include/math/scmat/local.h
  219. include/math/scmat/matrix.h
  220. include/math/scmat/matrix3.h
  221. include/math/scmat/matrix_i.h
  222. include/math/scmat/mops.h
  223. include/math/scmat/offset.h
  224. include/math/scmat/repl.h
  225. include/math/scmat/result.h
  226. include/math/scmat/util.h
  227. include/math/scmat/vector3.h
  228. include/math/scmat/vector3_i.h
  229. include/math/symmetry/LIBS.h
  230. include/math/symmetry/corrtab.h
  231. include/math/symmetry/pointgrp.h
  232. include/scconfig.h
  233. include/scdirlist.h
  234. include/util/class/LIBS.h
  235. include/util/class/class.h
  236. include/util/class/proxy.h
  237. include/util/class/scexception.h
  238. include/util/container/LIBS.h
  239. include/util/container/avlmap.h
  240. include/util/container/avlset.h
  241. include/util/container/bitarray.h
  242. include/util/container/carray.h
  243. include/util/container/compare.h
  244. include/util/container/eavlmmap.h
  245. include/util/group/LIBS.h
  246. include/util/group/file.h
  247. include/util/group/fileproc.h
  248. include/util/group/globcnt.h
  249. include/util/group/hcube.h
  250. include/util/group/linkage.h
  251. include/util/group/memamsg.h
  252. include/util/group/memarmci.h
  253. include/util/group/memiter.h
  254. include/util/group/memmsg.h
  255. include/util/group/memmtmpi.h
  256. include/util/group/memory.h
  257. include/util/group/memproc.h
  258. include/util/group/memrdma.h
  259. include/util/group/memshm.h
  260. include/util/group/message.h
  261. include/util/group/messaget.h
  262. include/util/group/messmpi.h
  263. include/util/group/messshm.h
  264. include/util/group/mstate.h
  265. include/util/group/pool.h
  266. include/util/group/pregtime.h
  267. include/util/group/rnglock.h
  268. include/util/group/thpthd.h
  269. include/util/group/thpuma.h
  270. include/util/group/thread.h
  271. include/util/group/topology.h
  272. include/util/keyval/LIBS.h
  273. include/util/keyval/ipv2.h
  274. include/util/keyval/ipv2_parse.h
  275. include/util/keyval/ipv2_scan.h
  276. include/util/keyval/keyval.h
  277. include/util/keyval/keyvalval.h
  278. include/util/misc/LIBS.h
  279. include/util/misc/autovec.h
  280. include/util/misc/bug.h
  281. include/util/misc/ccaenv.h
  282. include/util/misc/comptmpl.h
  283. include/util/misc/compute.h
  284. include/util/misc/exenv.h
  285. include/util/misc/formio.h
  286. include/util/misc/ieee.h
  287. include/util/misc/math.h
  288. include/util/misc/newstring.h
  289. include/util/misc/regtime.h
  290. include/util/misc/scint.h
  291. include/util/misc/string.h
  292. include/util/misc/timer.h
  293. include/util/misc/units.h
  294. include/util/options/GetLongOpt.h
  295. include/util/options/LIBS.h
  296. include/util/ref/LIBS.h
  297. include/util/ref/identity.h
  298. include/util/ref/ref.h
  299. include/util/ref/reftestx.h
  300. include/util/render/LIBS.h
  301. include/util/render/algebra3.h
  302. include/util/render/animate.h
  303. include/util/render/appearance.h
  304. include/util/render/color.h
  305. include/util/render/find.h
  306. include/util/render/linkage.h
  307. include/util/render/material.h
  308. include/util/render/object.h
  309. include/util/render/oogl.h
  310. include/util/render/parameter.h
  311. include/util/render/polygons.h
  312. include/util/render/polylines.h
  313. include/util/render/polysphere.h
  314. include/util/render/render.h
  315. include/util/render/sphere.h
  316. include/util/render/stack.h
  317. include/util/render/transform.h
  318. include/util/state/LIBS.h
  319. include/util/state/linkage.h
  320. include/util/state/proxy.h
  321. include/util/state/state.h
  322. include/util/state/state_bin.h
  323. include/util/state/state_file.h
  324. include/util/state/state_text.h
  325. include/util/state/statein.h
  326. include/util/state/stateio.h
  327. include/util/state/stateout.h
  328. include/util/state/translate.h
  329. lib/libSCbasis.a
  330. lib/libSCbasis.so
  331. lib/libSCbasis.so.7
  332. lib/libSCbasis.so.7.1.0
  333. lib/libSCcints.a
  334. lib/libSCcints.so
  335. lib/libSCcints.so.7
  336. lib/libSCcints.so.7.1.0
  337. lib/libSCclass.a
  338. lib/libSCclass.so
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  340. lib/libSCclass.so.7.1.0
  341. lib/libSCcontainer.a
  342. lib/libSCcontainer.so
  343. lib/libSCcontainer.so.7
  344. lib/libSCcontainer.so.7.1.0
  345. lib/libSCdft.a
  346. lib/libSCdft.so
  347. lib/libSCdft.so.7
  348. lib/libSCdft.so.7.1.0
  349. lib/libSCgroup.a
  350. lib/libSCgroup.so
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  358. lib/libSCisosurf.so
  359. lib/libSCisosurf.so.7
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  362. lib/libSCkeyval.so
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  364. lib/libSCkeyval.so.7.1.0
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  366. lib/libSCmbpt.so
  367. lib/libSCmbpt.so.7
  368. lib/libSCmbpt.so.7.1.0
  369. lib/libSCmbptr12.a
  370. lib/libSCmbptr12.so
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  373. lib/libSCmisc.a
  374. lib/libSCmisc.so
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  376. lib/libSCmisc.so.7.1.0
  377. lib/libSCmolecule.a
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  414. lib/libSCsolvent.so
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  6486. share/man/man3/sc_TwoBodyThreeCenterInt.3.gz
  6487. share/man/man3/sc_TwoBodyThreeCenterIntV3.3.gz
  6488. share/man/man3/sc_TwoBodyTwoCenterDerivInt.3.gz
  6489. share/man/man3/sc_TwoBodyTwoCenterInt.3.gz
  6490. share/man/man3/sc_TwoBodyTwoCenterIntV3.3.gz
  6491. share/man/man3/sc_UHF.3.gz
  6492. share/man/man3/sc_UKS.3.gz
  6493. share/man/man3/sc_Uncapped5SphereExclusionShape.3.gz
  6494. share/man/man3/sc_UncappedTorusHoleShape.3.gz
  6495. share/man/man3/sc_UnionShape.3.gz
  6496. share/man/man3/sc_Units.3.gz
  6497. share/man/man3/sc_UnrestrictedSCF.3.gz
  6498. share/man/man3/sc_UsedData.3.gz
  6499. share/man/man3/sc_VDWShape.3.gz
  6500. share/man/man3/sc_VWN1LCFunctional.3.gz
  6501. share/man/man3/sc_VWN2LCFunctional.3.gz
  6502. share/man/man3/sc_VWN3LCFunctional.3.gz
  6503. share/man/man3/sc_VWN4LCFunctional.3.gz
  6504. share/man/man3/sc_VWN5LCFunctional.3.gz
  6505. share/man/man3/sc_VWNLCFunctional.3.gz
  6506. share/man/man3/sc_Vertex.3.gz
  6507. share/man/man3/sc_Volume.3.gz
  6508. share/man/man3/sc_Wavefunction.3.gz
  6509. share/man/man3/sc_X.3.gz
  6510. share/man/man3/sc_XalphaFunctional.3.gz
  6511. share/man/man3/sc_Y.3.gz
  6512. share/man/man3/sc_auto_vec.3.gz
  6513. share/man/man3/sc_canonical_aaaa.3.gz
  6514. share/man/man3/sc_canonical_aabb.3.gz
  6515. share/man/man3/sc_canonical_aabc.3.gz
  6516. share/man/man3/sc_canonical_abcd.3.gz
  6517. share/man/man3/sc_commbuf_struct.3.gz
  6518. share/man/man3/sc_contribution.3.gz
  6519. share/man/man3/sc_der_centersv3_t.3.gz
  6520. share/man/man3/sc_distsize_t.3.gz
  6521. share/man/man3/sc_intMessageGrp.3.gz
  6522. share/man/man3/sc_intlist_struct.3.gz
  6523. share/man/man3/sc_ip_cwk_stack_struct.3.gz
  6524. share/man/man3/sc_ip_keyword_tree_list_struct.3.gz
  6525. share/man/man3/sc_ip_keyword_tree_struct.3.gz
  6526. share/man/man3/sc_ip_string_list_struct.3.gz
  6527. share/man/man3/sc_mPW91XFunctional.3.gz
  6528. share/man/man3/sc_mat3.3.gz
  6529. share/man/man3/sc_mat4.3.gz
  6530. share/man/man3/sc_message_struct.3.gz
  6531. share/man/man3/sc_msgbuf_struct.3.gz
  6532. share/man/man3/sc_prim_pair_t.3.gz
  6533. share/man/man3/sc_scprintf.3.gz
  6534. share/man/man3/sc_type_info_key.3.gz
  6535. share/man/man3/sc_vec2.3.gz
  6536. share/man/man3/sc_vec3.3.gz
  6537. share/man/man3/sc_vec4.3.gz
  6538. share/man/man3/vertex.3.gz
  6539. share/man/man3/vertices.3.gz
  6540. share/mpqc/atominfo.kv
  6541. share/mpqc/basis/3-21PPg.kv
  6542. share/mpqc/basis/3-21PPgS.kv
  6543. share/mpqc/basis/3-21g.kv
  6544. share/mpqc/basis/3-21gS.kv
  6545. share/mpqc/basis/4-31g.kv
  6546. share/mpqc/basis/6-311PPgL2d_2pR.kv
  6547. share/mpqc/basis/6-311PPgL3df_3pdR.kv
  6548. share/mpqc/basis/6-311PPgSS.kv
  6549. share/mpqc/basis/6-311g.kv
  6550. share/mpqc/basis/6-311gL2df_2pdR.kv
  6551. share/mpqc/basis/6-311gS.kv
  6552. share/mpqc/basis/6-311gSS.kv
  6553. share/mpqc/basis/6-31PPg.kv
  6554. share/mpqc/basis/6-31PPgS.kv
  6555. share/mpqc/basis/6-31PPgSS.kv
  6556. share/mpqc/basis/6-31PgS.kv
  6557. share/mpqc/basis/6-31g.kv
  6558. share/mpqc/basis/6-31gS.kv
  6559. share/mpqc/basis/6-31gSS.kv
  6560. share/mpqc/basis/aug-cc-pcv5z.kv
  6561. share/mpqc/basis/aug-cc-pcvdz.kv
  6562. share/mpqc/basis/aug-cc-pcvqz.kv
  6563. share/mpqc/basis/aug-cc-pcvtz.kv
  6564. share/mpqc/basis/aug-cc-pv5z.kv
  6565. share/mpqc/basis/aug-cc-pv6z.kv
  6566. share/mpqc/basis/aug-cc-pvdz.kv
  6567. share/mpqc/basis/aug-cc-pvqz.kv
  6568. share/mpqc/basis/aug-cc-pvtz.kv
  6569. share/mpqc/basis/cc-pcv5z.kv
  6570. share/mpqc/basis/cc-pcvdz.kv
  6571. share/mpqc/basis/cc-pcvqz.kv
  6572. share/mpqc/basis/cc-pcvtz.kv
  6573. share/mpqc/basis/cc-pv5z.kv
  6574. share/mpqc/basis/cc-pv6z.kv
  6575. share/mpqc/basis/cc-pvdz.kv
  6576. share/mpqc/basis/cc-pvqz.kv
  6577. share/mpqc/basis/cc-pvtz.kv
  6578. share/mpqc/basis/dz_LdunningR.kv
  6579. share/mpqc/basis/dzp_LdunningR.kv
  6580. share/mpqc/basis/dzp_P_diffuse_LdunningR.kv
  6581. share/mpqc/basis/midi_LhuzinagaR.kv
  6582. share/mpqc/basis/mini_LhuzinagaR.kv
  6583. share/mpqc/basis/mini_LscaledR.kv
  6584. share/mpqc/basis/nasa_ames_ano.kv
  6585. share/mpqc/basis/pc-0-aug.kv
  6586. share/mpqc/basis/pc-0.kv
  6587. share/mpqc/basis/pc-1-aug.kv
  6588. share/mpqc/basis/pc-1.kv
  6589. share/mpqc/basis/pc-2-aug.kv
  6590. share/mpqc/basis/pc-2.kv
  6591. share/mpqc/basis/pc-3-aug.kv
  6592. share/mpqc/basis/pc-3.kv
  6593. share/mpqc/basis/pc-4-aug.kv
  6594. share/mpqc/basis/pc-4.kv
  6595. share/mpqc/basis/sto-2g.kv
  6596. share/mpqc/basis/sto-3g.kv
  6597. share/mpqc/basis/sto-3gS.kv
  6598. share/mpqc/basis/sto-6g.kv
  6599. share/mpqc/basis/tz_LdunningR.kv
  6600. share/mpqc/ccarunproc
  6601. share/mpqc/elisp/SC.el
  6602. share/mpqc/elisp/compile.el
  6603. share/mpqc/elisp/keyval.el
  6604. share/mpqc/elisp/mpqc.el
  6605. share/mpqc/magic
  6606. share/mpqc/mpqcrunproc
  6607. share/mpqc/perl/AtomicBases.pm
  6608. share/mpqc/perl/AtomicBasis.pm
  6609. share/mpqc/perl/Molecule.pm
  6610. share/mpqc/perl/QCParse.pm
  6611. share/mpqc/perl/QCResult.pm
  6612. @owner
  6613. @group
  6614. @mode
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Dependency lines:
  • mpqc>0:science/mpqc
Conflicts:
CONFLICTS_BUILD:
  • ga
Conflicts Matches:
There are no Conflicts Matches for this port. This is usually an error.
To install the port:
cd /usr/ports/science/mpqc/ && make install clean
To add the package, run one of these commands:
  • pkg install science/mpqc
  • pkg install mpqc
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: mpqc
Flavors: there is no flavor information for this port.
distinfo:
SHA256 (mpqc-2.3.1.tar.bz2) = 18f162ca9cb8b3b05372b0ec3d02b4b8a4a7aabfc7b2abead350ddef8f048ecc SIZE (mpqc-2.3.1.tar.bz2) = 2521392 SHA256 (mpqc-val-2.2.3.tar.bz2) = eb8d8c1aff8b383bf684140acd45066d3c438767d357a3f1004fd63f482d866c

Expand this list (5 items)

Collapse this list.

SIZE (mpqc-val-2.2.3.tar.bz2) = 929332 SHA256 (mpqc-man-2.2.3.tar.bz2) = da41ae3835408fe0d45f72611bb7014cc5fd0aae4e526f828e83e074c1e252d8 SIZE (mpqc-man-2.2.3.tar.bz2) = 105008 SHA256 (mpqc-html-2.2.3.tar.bz2) = 16c5a980356f931e07a4382e3a585ee3740b6df37713513b3d0f70db363d85a1 SIZE (mpqc-html-2.2.3.tar.bz2) = 2756615

Collapse this list.


Packages (timestamps in pop-ups are UTC):
mpqc
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-2.3.1_50------
FreeBSD:13:quarterly-2.3.1_50------
FreeBSD:14:latest-2.3.1_50------
FreeBSD:14:quarterly-2.3.1_50------
FreeBSD:15:latest-2.3.1_50n/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. dot : graphics/graphviz
  2. doxygen : devel/doxygen
  3. dot : graphics/graphviz
  4. gfortran13 : lang/gcc13
  5. gmake>=4.4.1 : devel/gmake
  6. tex.fmt : print/tex-formats
  7. dvips : print/tex-dvipsk
  8. texlive-base>=20230313 : print/texlive-base
  9. as : devel/binutils
  10. perl5>=5.36<5.37 : lang/perl5.36
Runtime dependencies:
  1. wish : x11-toolkits/tk-wrapper
  2. dot : graphics/graphviz
  3. gfortran13 : lang/gcc13
  4. tex.fmt : print/tex-formats
  5. dvips : print/tex-dvipsk
  6. texlive-base>=20230313 : print/texlive-base
  7. perl5>=5.36<5.37 : lang/perl5.36
Library dependencies:
  1. libint.so : science/libint
  2. libmpich.so : net/mpich
  3. libblas.so : math/blas
  4. liblapack.so : math/lapack
This port is required by:
for Libraries
  1. science/ghemical
  2. science/libghemical

Configuration Options:
===> The following configuration options are available for mpqc-2.3.1_51: ATLAS=off: Link with ATLAS instead of BLAS DOXYGEN=on: Build documentation with Doxygen EXAMPLES=on: Build and/or install examples ICC=off: Build with ICC compiler instead MPI=on: MPI (Message Passing Interface) support OPTIFLAGS=off: Build with optimized flags ===> Use 'make config' to modify these settings
Options name:
science_mpqc
USES:
fortran gmake libtool localbase perl5 shebangfix tar:bzip2 blaslapack:netlib tex
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (52 items)
Collapse this list.
  1. http://cfhcable.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  2. http://cytranet.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  3. http://deac-ams.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  4. http://deac-fra.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  5. http://deac-riga.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  6. http://downloads.sourceforge.net/project/mpqc/mpqc/2.3.1/
  7. http://excellmedia.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  8. http://freefr.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  9. http://gigenet.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  10. http://ixpeering.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  11. http://jaist.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  12. http://kumisystems.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  13. http://liquidtelecom.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  14. http://nchc.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  15. http://netactuate.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  16. http://netcologne.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  17. http://netix.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  18. http://onboardcloud.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  19. http://phoenixnap.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  20. http://razaoinfo.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  21. http://sinalbr.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  22. http://sitsa.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  23. http://tenet.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  24. http://udomain.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  25. http://ufpr.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  26. http://versaweb.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  27. https://cfhcable.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  28. https://cytranet.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  29. https://deac-ams.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  30. https://deac-fra.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  31. https://deac-riga.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  32. https://downloads.sourceforge.net/project/mpqc/mpqc/2.3.1/
  33. https://excellmedia.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  34. https://freefr.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  35. https://gigenet.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  36. https://ixpeering.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  37. https://jaist.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  38. https://kumisystems.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  39. https://liquidtelecom.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  40. https://nchc.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  41. https://netactuate.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  42. https://netcologne.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  43. https://netix.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  44. https://onboardcloud.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  45. https://phoenixnap.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  46. https://razaoinfo.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  47. https://sinalbr.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  48. https://sitsa.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  49. https://tenet.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  50. https://udomain.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  51. https://ufpr.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  52. https://versaweb.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
Collapse this list.

Number of commits found: 129 (showing only 100 on this page)

1 | 2  »  

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
2.3.1_51
25 Mar 2024 18:41:04
commit hash: 020b19ce728627830693cf4c5c410ae59730d75ccommit hash: 020b19ce728627830693cf4c5c410ae59730d75ccommit hash: 020b19ce728627830693cf4c5c410ae59730d75ccommit hash: 020b19ce728627830693cf4c5c410ae59730d75c files touched by this commit
Gleb Popov (arrowd) search for other commits by this committer
science/mpqc: Move manpages to share/man

Approved by:	portmgr (blanket)
2.3.1_50
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
2.3.1_49
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
2.3.1_48
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
2.3.1_47
19 Dec 2022 14:44:58
commit hash: 721e5776c957ada07a0d148f5fc3e782a251e6dccommit hash: 721e5776c957ada07a0d148f5fc3e782a251e6dccommit hash: 721e5776c957ada07a0d148f5fc3e782a251e6dccommit hash: 721e5776c957ada07a0d148f5fc3e782a251e6dc files touched by this commit
Muhammad Moinur Rahman (bofh) search for other commits by this committer
Mk/**tex.mk: Convert bsd.tex.mk to USES=tex

- Update all the consumers to use USES=tex
- USE_TEX=yes is the old way of writing USES=tex which has been removed
  and replaced in all ports
- Almost all of the USE_TEX features remains unchanged
- Some consumers had the same variables defined both in the mk
  infrastructure and also in the ports which have been removed from the
  ports as those are redundant.

In case any of the consumers are failing to build please make sure that
the nexessary USES=tex is there. Unlike previous USE_TEX=yes will no
longer load the required VARS for tex and related dependencies.

Reviewed by:	portmgr
Approved by:	portmgr (blanket)
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)
2.3.1_47
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)
2.3.1_47
20 Jul 2022 14:22:51
commit hash: 46196047a4df0f85aaee442799209fdaacf03361commit hash: 46196047a4df0f85aaee442799209fdaacf03361commit hash: 46196047a4df0f85aaee442799209fdaacf03361commit hash: 46196047a4df0f85aaee442799209fdaacf03361 files touched by this commit
Tobias C. Berner (tcberner) search for other commits by this committer
science: remove 'Created by' lines

A big Thank You to the original contributors of these ports:

  *  Andreas Fehlner <fehlner@gmx.de>
  *  Brad Huntting <huntting@glarp.com>
  *  Chao Shin <quakelee@cn.FreeBSD.org>
  *  Cheng-Lung Sung <clsung@FreeBSD.org>
  *  Chia-Hsing Yu <me@davidyu.org>
  *  Chris Rees <utisoft@gmail.com>
  *  David Naylor <dbn@FreeBSD.org>
  *  Dmitry Sivachenko <demon@FreeBSD.org>
  *  Ed Schouten <ed@FreeBSD.org>
  *  Eric Freeman <freebsdports@chillibear.com>
  *  Erik B Knudsen
(Only the first 15 lines of the commit message are shown above View all of this commit message)
2.3.1_47
16 Dec 2021 08:49:52
commit hash: 9cc0d870054383d11c0b748ab90601df9f155772commit hash: 9cc0d870054383d11c0b748ab90601df9f155772commit hash: 9cc0d870054383d11c0b748ab90601df9f155772commit hash: 9cc0d870054383d11c0b748ab90601df9f155772 files touched by this commit
Dima Panov (fluffy) search for other commits by this committer
science/mpqc: regen plist after doxygen update (+)

Add direct build dependency on LATeX when docs requsted for formulas rendering
instead of hard pulling it to everyone via doxygen.

Sponsored by:	Netzkommune GmbH
2.3.1_46
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.
2.3.1_46
08 Jan 2021 07:47:03
Revision:560752Original commit files touched by this commit
fluffy search for other commits by this committer
devel/doxygen: Update to 1.9.0

- regen patches by 'make makepatch'
- adjust consumers which affected by new doxygen styles
- take maintainersip

Changelog: https://www.doxygen.nl/manual/changelog.html#log_1_9_0

PR:		242347
Submitted by:	fluffy
Reported by:	Naram Qashat (ex-maintainer)
Exp-run by:	antoine
2.3.1_45
30 Jan 2020 14:17:44
Revision:524642Original commit files touched by this commit
swills search for other commits by this committer
Fix math/openblas and bump dependent ports

* Fix build on i386 [1]
* Fix science/code_saturne build with new openblas [2]
* Avoid installing private headers [3]
* Prevent build from optimizing for host by correcting build confg [4]
* Bump portrevision of dependent ports [5]

This is correcting issues from r523749 [1][2][4] and r515970 [3]

PR:		231371
Reported by:	build cluster [1]
Reported by:	Dima Pasechnik <dimpase+freebsd@gmail.com> [2]
Reported by:	many [5]
Reviewed by:	mat, bapt
Approved by:	implicit, since this is a build fix
2.3.1_44
08 Nov 2019 03:54:11
Revision:517029Original commit files touched by this commit
linimon search for other commits by this committer
Unmark these ports broken on aarch64.

Submitted by:	emaste (TRYBROKEN run)
Approved by:	portmgr (tier-2 blanket)
2.3.1_44
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
2.3.1_43
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
2.3.1_42
05 Mar 2019 21:20:28
Revision:494744Original commit files touched by this commit
antoine search for other commits by this committer
Update devel/doxygen to 1.8.15

PR:		236110
2.3.1_41
17 Dec 2018 18:13:18
Revision:487700Original commit files touched by this commit
yuri search for other commits by this committer
science/mpqc: Change net/mpich2 -> net/mpich

Other port changes:
* Add the graphviz dependency
* Patch one #include that isn't found by default for some reason
* Fix WWW
2.3.1_40
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
2.3.1_39
07 Sep 2018 02:23:54
Revision:479174Original commit files touched by this commit
yuri search for other commits by this committer
science/mpqc: Add -lmpich to LDFLAGS: this fixes science/libghemical build

science/libghemical was failing because libSCgroup.so needs MPI_* symbols
but wasn't linked to libmpich.so.
2.3.1_38
04 Sep 2018 06:07:40
Revision:478925Original commit files touched by this commit
yuri search for other commits by this committer
Remove science/mpqc-mpich: Enable MPI option in science/mpqc by default

* MPICH option in science/mpqc is renamed to MPI, because MPI exists in many
other
  ports and there's MPI_DESC predefined for it.
* MPI option in science/mpqc is made default.
2.3.1_37
27 Aug 2018 22:56:44
Revision:478259Original commit files touched by this commit
yuri search for other commits by this committer
science/libint: Update 1.1.6 -> 1.2.1

Port changes:
* Remove USES=perl5 (not needed)
* Remove static libs
* Remove USE_GCC (not needed)
* Silence command/remove braces
* Update WWW

Take maintainership.

Bump depending ports because the library list has changed in plist.
2.3.1_36
27 Aug 2018 22:25:05
Revision:478258Original commit files touched by this commit
yuri search for other commits by this committer
science/mpqc: Fix portlint warnings about non-ASCII characters; Change WWW to
https
2.3.1_36
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
2.3.1_35
24 Jul 2018 20:22:16
Revision:475273Original commit files touched by this commit
yuri search for other commits by this committer
science/mpqc: Fix build

Two fixes:
* Force some stl-related define values because configured values are wrong
* Force the C++-98 standard because of breakage on newer clangs/systems

Reported by:	fallout
2.3.1_34
22 Jul 2018 01:36:38
Revision:475079Original commit files touched by this commit
yuri search for other commits by this committer
science/mpqc: Unbreak on CURRENT

For some reason, STL's endl fail and need to be std::endl only on CURRENT.
2.3.1_34
18 Jul 2018 00:20:27
Revision:474828Original commit files touched by this commit
yuri search for other commits by this committer
science/mpqc: Fix library dependencies

Problems in this port caused the science/libghemical breakage
(it was labeled as DEPRECATED).

Two major fixes:
* Fix the unknown 'backtrace' symbol: libexecinfo.so dependency was missing for
libSCmisc.so
* Fix broken libint.so: -L${LOCALBASE} was missing for libSCcints.so and
libint.so was just ignored
  and effectively missing

These two problems were previously attempted to be patched with "-Wl,--as-needed
-lexecinfo -Wl,--no-as-needed"
but this didn't work. So this line is now removed from Makefile, and proper
flags are supplied to
the link commands.

Other port changes:
* Take maintainership
* Add missing RUN_DEPENDS for wish:x11-toolkits/tk-wrapper
* Add CONFLICTS_BUILD
* Fix MPICH_LIB_DEPENDS to point to net/mpich2
* patch the 'wish' path in configure
2.3.1_33
22 Jun 2018 01:15:20
Revision:473012Original commit files touched by this commit
linimon search for other commits by this committer
Mark these ports as broken on aarch64, and, where appropriate, on armvX.

While here, pet portlint.

Approved by:	portmgr (tier-2 blanket)
2.3.1_33
10 Mar 2018 17:46:06
Revision:464084Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISIONs of all users of math/mpc that we just updated to
version 1.1.0 (via revision 464079).
2.3.1_32
15 Jan 2018 20:13:22
Revision:459111Original commit files touched by this commit
tijl search for other commits by this committer
Remove Doxygen generated directory manuals.  They don't contain anything
important and their name contains the full path of directories which can
be different on different build systems.

Reported by:	antoine
2.3.1_31
14 Jan 2018 19:32:51
Revision:458994Original commit files touched by this commit
tijl search for other commits by this committer
- Patch configure instead of configure.in so USE_AUTOTOOLS can be removed.
- Use upstream build system instead of do-build and do-install.
- Rename DOCS option DOXYGEN.
- Add EXAMPLES option.
- Depend on MPICH 3 instead of 2.
- Convert to USES=blaslapack.
- Use more option helpers.
- Update pkg-descr.
2.3.1_30
22 Sep 2017 10:48:29
Revision:450351Original commit files touched by this commit
mat search for other commits by this committer
Remove USES=execinfo.

PR:		220271
Submitted by:	mat (review), Yasuhiro KIMURA (PR)
Sponsored by:	Absolight
Differential Revision:	https://reviews.freebsd.org/D11488
2.3.1_30
10 Sep 2017 20:55:39
Revision:449591Original 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
(via Mk/bsd.default-versions.mk and lang/gcc) which has moved from
GCC 5.4 to GCC 6.4 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, c++11-lib, c++11-lang,
   c++14-lang, c++0x, c11, or gcc-c++11-lib.

PR:		219275
2.3.1_29
01 Apr 2017 15:23:32
Revision:437439Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISIONs for ports depending on the canonical version of GCC and
lang/gcc which have moved from GCC 4.9.4 to GCC 5.4 (at least under some
circumstances such as versions of FreeBSD or platforms).

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

PR:		216707
2.3.1_28
07 Dec 2016 13:24:57
Revision:428057Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISIONS for ports depending on the canonical version of GCC and
lang/gcc which have moved from GCC 4.8.5 to GCC 4.9.4 (at least under some
circumstances such as versions of FreeBSD or platforms), part II.

The first part covered  ports with USE_GCC=yes, USE_GCC=any, or one of
gcc-c++11-lib, openmp, nestedfct, c++11-lib as well as c++14-lang,
c++11-lang, c++0x, c11 requested via USES=compiler.

This adds ports with USES=fortran and ports using Mk/bsd.octave.mk
which in turn has USES=fortran.

PR:		214965
Reported by:	thierry
2.3.1_27
01 Apr 2016 14:25:18
Revision:412349Original commit files touched by this commit
mat search for other commits by this committer
Remove ${PORTSDIR}/ from dependencies, categories r, s, t, and u.

With hat:	portmgr
Sponsored by:	Absolight
2.3.1_27
01 Oct 2015 07:04:30
Revision:398253Original commit files touched by this commit
amdmi3 search for other commits by this committer
- Add missing manpage
- Switch to options helpers and OPTIONS_SLAVE
- Sort plist
- Fix stage-qa for mpqc-mpich
2.3.1_26
11 Jun 2015 09:27:06
Revision:389176Original commit files touched by this commit
amdmi3 search for other commits by this committer
- Fix shebangs

MFH:		2015Q2
2.3.1_25
24 Mar 2015 22:17:42
Revision:382185Original commit files touched by this commit
marino search for other commits by this committer
3 ports categories: Remove $PTHREAD_LIBS

Categories: print, science, emulators

approved by:	PTHREAD blanket
2.3.1_25
12 Nov 2014 18:48:53
Revision:372500Original commit files touched by this commit
antoine search for other commits by this committer
Cleanup plist
2.3.1_25
25 Sep 2014 13:56:06
Revision:369254Original commit files touched by this commit
marino search for other commits by this committer
science/mpqc: Don't override libtool -version-info, bump dependent ports

We accept SHLIB version changes when moving to USE=libtool, so stop
overriding it with the intent of prevent library version changes, which
is considered the better approach over the long term. Two ports are
dependent on mpqc, so bump them for the second time today.

requested by:	tijl@
2.3.1_24
25 Sep 2014 11:04:03
Revision:369236Original commit files touched by this commit
marino search for other commits by this committer
science: Fix mpqc, libint and unbreak ghemical, and libghemical atomically

science/ghemical would not link because libghemical.so (from science/
libghemical port) had never been properly linked.  Links to all mpqc "SC"
libraries were added to LDFLAGS to rectify this.  The configure breakage
and solution is described below.

After the version of lang/gcc was bumped from 4.7 to 4.8,
science/libghemical ceased to configure and it was marked broken.  After
recreating the conftest, it was discovered that two versions incompatible
versions of libgcc_s.so were getting pulled in by the realtime linker:
the base version and the gcc48 ports version.

The base version was getting pulled in by science/libint.  To unbreak
libghemical, libint is now built with lang/gcc.  It was necessary to
(Only the first 15 lines of the commit message are shown above View all of this commit message)
2.3.1_23
10 Sep 2014 20:50:37
Revision:367888Original commit files touched by this commit
gerald search for other commits by this committer
Update the default version of GCC in the Ports Collection from GCC 4.7.4
to GCC 4.8.3.

Part II, Bump PORTREVISIONs.

PR:		192025
Tested by:	antoine (-exp runs)
Approved by:	portmgr (implicit)
2.3.1_22
08 Sep 2014 00:20:04
Revision:367610Original commit files touched by this commit
marino search for other commits by this committer
Stage science/mpqc and science/mpqc-mpich

 * reset maintainer
 * converted to options instead of WITH_* knobs
 * moved files/manpages to pkgplist
 * USES+= libtool
 * modernize
2.3.1_21
26 Aug 2014 19:55:00
Revision:366262Original commit files touched by this commit
thierry search for other commits by this committer
Chase the upgrade of net/mpich2.

Approved by:	portmgr (non staged ports)
2.3.1_20
06 Aug 2014 23:57:20
Revision:364235Original commit files touched by this commit
amdmi3 search for other commits by this committer
- Bump PORTREVISION to force rebuild of .la file

Approved by:	portmgr blanket
2.3.1_19
29 Jul 2014 18:41:17
Revision:363371Original commit files touched by this commit Sanity Test Failure
adamw search for other commits by this committer
Convert a bunch of USE_BZIP2 to USES=tar:bzip2

Approved by:	portmgr (not really, but touches unstaged ports)
2.3.1_19
29 Jul 2014 17:12:50
Revision:363362Original commit files touched by this commit
adamw search for other commits by this committer
Rename all patches that contain '::' as a path separator, and use
'__' instead.
2.3.1_19
14 Jul 2014 18:42:04
Revision:361812Original commit files touched by this commit
bapt search for other commits by this committer
Modernize LIB_DEPENDS

With hat:	portmgr
2.3.1_19
25 Jun 2014 05:35:32
Revision:359185Original commit files touched by this commit
bapt search for other commits by this committer
Convert GMAKE to MAKE_CMD
Please note that lots of invocation of MAKE_CMD here are wrong as they do not
properly respect MAKE_ENV and friends

With hat:	portmgr
2.3.1_19
25 Mar 2014 06:30:21
Revision:349105Original commit files touched by this commit
maho search for other commits by this committer
support LDFLAGS (fixes libghemical)

PR:		187801
Submitted by:	tijl@
2.3.1_18
10 Mar 2014 20:55:22
Revision:347809Original commit files touched by this commit
gerald search for other commits by this committer
Update the default version of GCC used in the Ports Collection from
GCC 4.6.4 to GCC 4.7.3.  This entails updating the lang/gcc port as
well as changing the default in Mk/bsd.default-versions.mk.

Part II, Bump PORTREVISIONs.

PR:		182136
Supported by:	Christoph Moench-Tegeder <cmt@burggraben.net> (fixing many ports)
Tested by:	bdrewery (two -exp runs)
2.3.1_17
16 Feb 2014 17:15:32
Revision:344614Original commit files touched by this commit
tijl search for other commits by this committer
Convert all USE_FORTRAN=yes to "USES=fortran, USE_GCC=yes".  In most cases
USE_GCC=yes has been omitted though.

Remove USE_FORTRAN handling from bsd.port.mk and bsd.gcc.mk.

Minor cleanups in some ports like USE_GMAKE, NOPORTDOCS,...

Exp-run:	bdrewery
Approved by:	portmgr (bdrewery)
2.3.1_17
26 Oct 2013 00:52:36
Revision:331644Original commit files touched by this commit
gerald search for other commits by this committer
Update to libmpc version 1.0.1 which brings the following fixes:

 - Switched to automake 1.11.6, see CVE-2012-3386.
 - #14669: Fixed extraction of CC from gmp.h.
 - Fixed case of intermediate zero real or imaginary part in mpc_fma,
   found by hydra with GMP_CHECK_RANDOMIZE=1346362345.

This is on top of the following changes from version 1.0

 - Licence change towards LGPLv3+ for the code and GFDLv1.3+ (with no
   invariant sections) for the documentation.
 - 100% of all lines are covered by tests
 - Renamed functions
   . mpc_mul_2exp to mpc_mul_2ui
   . mpc_div_2exp to mpc_div_2ui
(Only the first 15 lines of the commit message are shown above View all of this commit message)
2.3.1_16
20 Sep 2013 22:48:31
Revision:327767Original commit files touched by this commit
bapt search for other commits by this committer
Add NO_STAGE all over the place in preparation for the staging support (cat:
science)
2.3.1_16
16 Sep 2013 10:58:05
Revision:327380Original commit files touched by this commit
az search for other commits by this committer
- convert to the new perl5 framework
- convert USE_GMAKE to Uses

Approved by:	portmgr (bapt@, blanket)
2.3.1_16
11 May 2013 17:58:56
Revision:317899Original commit files touched by this commit
hrs search for other commits by this committer
Rectify USE_TEX to support both of teTeX and TeXLive.

TEX_DEFAULT:
	A knob to choose teTeX or TeXLive.  One can specify in /etc/make.conf.

USE_TEX:
	A knob for port developers.  Valid keywords are listed in
	bsd.tex.mk.
2.3.1_16
06 May 2013 02:00:41
Revision:317455Original commit files touched by this commit
hrs search for other commits by this committer
Remove *_DEPENDS from ports which depend on teTeX and add USE_TEX=tetex
instead to make migration to TeXLive easier.
2.3.1_16
08 Jan 2013 04:49:04
Revision:310064Original commit files touched by this commit
maho search for other commits by this committer
Fix recent build on tinderbox. Somehow "sc_PsiCCSD_T.3" is not
build on tinderbox, so I removed as a quick hack.

pointed out by:	beat@
2.3.1_15
01 Jun 2012 05:26:28
Original commit files touched by this commit
dinoex search for other commits by this committer
- update png to 1.5.10
2.3.1_14
22 Nov 2011 11:14:10
Original commit files touched by this commit
bf search for other commits by this committer
adjust linking and comments in dependent ports after the math/atlas update;
math/atlas-devel will be updated to use the same constructs at a later date

PR:             162706
Approved by:    miwi (portmgr)
Feature safe:   yes
2.3.1_14
26 Feb 2011 09:56:51
Original commit files touched by this commit
thierry search for other commits by this committer
Chase the upgrade of MPICH2.

Since I'm there, pet portlint where needed, e.g. by removing oblsolete
MD5 checksums.

PR:             ports/154715
2.3.1_13
04 Dec 2010 07:34:27
Original commit files touched by this commit
ade search for other commits by this committer
Sync to new bsd.autotools.mk
2.3.1_13
14 Nov 2010 22:00:16
Original commit files touched by this commit
thierry search for other commits by this committer
Chase the upgrade of MPICH2.

PR:             ports/151868
Approved by:    maho (maintainer)
2.3.1_12
16 Oct 2010 11:52:47
Original commit files touched by this commit
ade search for other commits by this committer
Punt autoconf267->autoconf268
2.3.1_12
15 Sep 2010 18:35:24
Original commit files touched by this commit
ade search for other commits by this committer
Autotools update.   Read ports/UPDATING 20100915 for details.

Approved by:    portmgr (for Mk/bsd.port.mk part)
Tested by:      Multiple -exp runs
2.3.1_11
28 Mar 2010 06:47:48
Original commit files touched by this commit
dinoex search for other commits by this committer
- update to 1.4.1
Reviewed by:    exp8 run on pointyhat
Supported by:   miwi
2.3.1_10
28 Nov 2009 10:44:56
Original commit files touched by this commit
thierry search for other commits by this committer
- Chase relocation of net/mpich2

- Bump PORTREVISION if needed

- Fix some portlint errors.
2.3.1_9
21 Oct 2009 23:25:38
Original commit files touched by this commit
wxs search for other commits by this committer
- Fix plist after doxygen update.

Noticed by:     Pav (pointyhat run)
Approved by:    maho@ (maintainer)
2.3.1_8
13 Oct 2009 23:48:01
Original commit files touched by this commit
maho search for other commits by this committer
Build fix.

Spotted by: miwi and pav
Feature safe:   yes
2.3.1_8
09 Oct 2009 02:02:09
Original commit files touched by this commit
maho search for other commits by this committer
adding extra rpath when linking after gcc44 migration.

Feature safe:   yes.
2.3.1_7
13 Sep 2009 00:08:01
Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now
implies lang/gcc44 up from lang/gcc43.

Approved by:    portmgr
2.3.1_6
22 Aug 2009 00:35:32
Original commit files touched by this commit Sanity Test Failure
amdmi3 search for other commits by this committer
- Switch SourceForge ports to the new File Release System: categories starting
with P,R,S
2.3.1_6
07 Jan 2009 16:34:27
Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION due to change of USE_FORTRAN=yes to GCC 4.3.
2.3.1_5
20 Aug 2008 00:57:32
Original commit files touched by this commit
ade search for other commits by this committer
Conversion from (now defunct) autoconf-2.61 to autoconf-2.62

Tested by:      exp build run (erwin)
2.3.1_5
12 Nov 2007 00:41:54
Original commit files touched by this commit
maho search for other commits by this committer
Fix build on 7.0, and now correctly choose -pthread
instead of -lpthread.

Approved by:    portmgr (linimon)
2.3.1_5
30 Sep 2007 04:47:37
Original commit files touched by this commit
linimon search for other commits by this committer
Switch autoconf dependencies from 2.53 or 2.59 to 2.61.

PR:             ports/116639
Submitted by:   aDe
2.3.1_4
14 Jul 2007 22:24:53
Original commit files touched by this commit
maho search for other commits by this committer
Correct mpich dependency.
2.3.1_4
14 Jul 2007 09:07:26
Original commit files touched by this commit
maho search for other commits by this committer
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
2.3.1_4
19 May 2007 20:32:57
Original commit files touched by this commit
flz search for other commits by this committer
- Welcome X.org 7.2 \o/.
- Set X11BASE to ${LOCALBASE} for recent ${OSVERSION}.
- Bump PORTREVISION for ports intalling files in ${X11BASE}.
2.3.1_3
19 Feb 2007 07:30:59
Original commit files touched by this commit
maho search for other commits by this committer
Build fix for mpqc-mpich.
2.3.1_3
14 Feb 2007 05:14:04
Original commit files touched by this commit
maho search for other commits by this committer
Fix pkg-plist.

Submitted by:   krismail
2.3.1_3
12 Feb 2007 07:11:41
Original commit files touched by this commit
maho search for other commits by this committer
Now pkg-plist for ${PREFIX}/share/mpqc part is generated
automatically.
2.3.1_3
10 Feb 2007 05:46:37
Original commit files touched by this commit
maho search for other commits by this committer
Somehow the documents are not generated on pointyhat build.
To see how it works, generation of the documents is moved
to post-build section.
2.3.1_3
23 Jan 2007 01:52:54
Original commit files touched by this commit
maho search for other commits by this committer
More build logs for build fix at pointyhat.

Submitted by:   kris via pointyhat
2.3.1_3
17 Jan 2007 03:00:28
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maho search for other commits by this committer
Add missing dependency for cblas.
2.3.1_3
12 Jan 2007 06:06:49
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* Use gfortran42 only and not gcc42.
* Bump portrevision.
2.3.1_2
09 Jan 2007 22:56:20
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*Bump port revision
*Use gfortran compiled atlas/blas/lapack
2.3.1_1
09 Jan 2007 15:01:48
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Migrate to gfrotran.
2.3.1
06 Jan 2007 22:35:25
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maho search for other commits by this committer
Fix typo.
2.3.1
02 Jan 2007 22:14:41
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Update to 2.3.1.
* documents are now generated with doxygen.
* sort pkg-plist.
* build with libint; now supports some r12 methods.
2.3.0
01 Dec 2006 22:37:11
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Fix pkg-plist

Submitted by:   kris
2.3.0
30 Nov 2006 00:57:58
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Add USE_LDCONFIG.
2.3.0
29 Nov 2006 21:40:06
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Now install shared libs as well (to prevent to pass -fPIC when
creating a static lib. to workaround esp. for amd64).
2.3.0
19 Nov 2006 08:42:07
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* Use BLAS instead of ATLAS if ATLAS doesn't exist.
* mpich part of mpqc-mpich is moved into mpqc port.
* now use mpich2 instead of mpich.
2.3.0
24 Jan 2006 01:01:36
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edwin search for other commits by this committer
SHA256ify

Approved by: krion@
2.3.0
15 Nov 2005 06:52:12
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ade search for other commits by this committer
Mass-conversion to the USE_AUTOTOOLS New World Order.  The code present
in bsd.autotools.mk essentially makes this a no-op given that all the
old variables set a USE_AUTOTOOLS_COMPAT variable, which is parsed in
exactly the same way as USE_AUTOTOOLS itself.

Moreover, USE_AUTOTOOLS has already been extensively tested by the GNOME
team -- all GNOME 2.12.x ports use it.

Preliminary documentation can be found at:
        http://people.FreeBSD.org/~ade/autotools.txt

which is in the process of being SGMLized before introduction into the
Porters Handbook.

Light blue touch-paper.  Run.
2.3.0
11 Nov 2005 05:00:08
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Update to 2.3.0
2.2.3
11 Feb 2005 03:09:08
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Add center-of-charge patch.
2.2.3
10 Feb 2005 04:46:42
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Fix build by adding USE_BZIP2

Submitted by:   kris via pointyhat
2.2.3
02 Feb 2005 07:32:20
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update to 2.2.3

Number of commits found: 129 (showing only 100 on this page)

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