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Port details
mpqc-mpich Massively Parallel Quantum Chemistry Program
2.3.1_37 science Deleted 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_37Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2002-07-16 07:03:50
Last Update: 2018-09-04 06:07:40
SVN Revision: 478925
People watching this port, also watch:: pnetcdf, hourglass
Also Listed In: parallel
License: GPLv2
WWW:
https://www.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 WWW: https://www.mpqc.org/
Homepage    cgit ¦ GitHub ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
pkg-plist: as obtained via: make generate-plist
Expand this list (6690 items)
Collapse this list.
  1. /usr/local/share/licenses/mpqc-mpich-2.3.1_37/catalog.mk
  2. /usr/local/share/licenses/mpqc-mpich-2.3.1_37/LICENSE
  3. /usr/local/share/licenses/mpqc-mpich-2.3.1_37/GPLv2
  4. bin/ccarun
  5. bin/chkmpqcout
  6. bin/molrender
  7. bin/mpqc
  8. bin/mpqcrun
  9. bin/sc-config
  10. bin/sc-libtool
  11. bin/sc-mkf77sym
  12. bin/scls
  13. bin/scpr
  14. bin/tkmolrender
  15. include/chemistry/molecule/LIBS.h
  16. include/chemistry/molecule/atominfo.h
  17. include/chemistry/molecule/coor.h
  18. include/chemistry/molecule/energy.h
  19. include/chemistry/molecule/fdhess.h
  20. include/chemistry/molecule/formula.h
  21. include/chemistry/molecule/hess.h
  22. include/chemistry/molecule/linkage.h
  23. include/chemistry/molecule/localdef.h
  24. include/chemistry/molecule/molecule.h
  25. include/chemistry/molecule/molfreq.h
  26. include/chemistry/molecule/molrender.h
  27. include/chemistry/molecule/molshape.h
  28. include/chemistry/molecule/simple.h
  29. include/chemistry/molecule/taylor.h
  30. include/chemistry/qc/basis/LIBS.h
  31. include/chemistry/qc/basis/basis.h
  32. include/chemistry/qc/basis/cartiter.h
  33. include/chemistry/qc/basis/dercent.h
  34. include/chemistry/qc/basis/distshpair.h
  35. include/chemistry/qc/basis/extent.h
  36. include/chemistry/qc/basis/f77sym.h
  37. include/chemistry/qc/basis/files.h
  38. include/chemistry/qc/basis/gaussbas.h
  39. include/chemistry/qc/basis/gaussshell.h
  40. include/chemistry/qc/basis/gpetite.h
  41. include/chemistry/qc/basis/integral.h
  42. include/chemistry/qc/basis/obint.h
  43. include/chemistry/qc/basis/orthog.h
  44. include/chemistry/qc/basis/petite.h
  45. include/chemistry/qc/basis/shellrot.h
  46. include/chemistry/qc/basis/sobasis.h
  47. include/chemistry/qc/basis/sointegral.h
  48. include/chemistry/qc/basis/symmint.h
  49. include/chemistry/qc/basis/tbint.h
  50. include/chemistry/qc/basis/transform.h
  51. include/chemistry/qc/cints/LIBS.h
  52. include/chemistry/qc/cints/cartit.h
  53. include/chemistry/qc/cints/cints.h
  54. include/chemistry/qc/cints/eri.h
  55. include/chemistry/qc/cints/eri_quartet_data.h
  56. include/chemistry/qc/cints/fjt.h
  57. include/chemistry/qc/cints/grt.h
  58. include/chemistry/qc/cints/grt_quartet_data.h
  59. include/chemistry/qc/cints/int1e.h
  60. include/chemistry/qc/cints/int2e.h
  61. include/chemistry/qc/cints/linkage.h
  62. include/chemistry/qc/cints/macros.h
  63. include/chemistry/qc/cints/obintcints.h
  64. include/chemistry/qc/cints/primpairs.h
  65. include/chemistry/qc/cints/shellpairs.h
  66. include/chemistry/qc/cints/static.h
  67. include/chemistry/qc/cints/storage.h
  68. include/chemistry/qc/cints/tbintcints.h
  69. include/chemistry/qc/cints/tform.h
  70. include/chemistry/qc/dft/LIBS.h
  71. include/chemistry/qc/dft/clks.h
  72. include/chemistry/qc/dft/clkstmpl.h
  73. include/chemistry/qc/dft/functional.h
  74. include/chemistry/qc/dft/hsosks.h
  75. include/chemistry/qc/dft/hsoskstmpl.h
  76. include/chemistry/qc/dft/integrator.h
  77. include/chemistry/qc/dft/linkage.h
  78. include/chemistry/qc/dft/uks.h
  79. include/chemistry/qc/dft/ukstmpl.h
  80. include/chemistry/qc/intv3/LIBS.h
  81. include/chemistry/qc/intv3/array.h
  82. include/chemistry/qc/intv3/cartitv3.h
  83. include/chemistry/qc/intv3/fjt.h
  84. include/chemistry/qc/intv3/flags.h
  85. include/chemistry/qc/intv3/int1e.h
  86. include/chemistry/qc/intv3/int2e.h
  87. include/chemistry/qc/intv3/intv3.h
  88. include/chemistry/qc/intv3/macros.h
  89. include/chemistry/qc/intv3/obintv3.h
  90. include/chemistry/qc/intv3/storage.h
  91. include/chemistry/qc/intv3/tbintv3.h
  92. include/chemistry/qc/intv3/tformv3.h
  93. include/chemistry/qc/intv3/types.h
  94. include/chemistry/qc/intv3/utils.h
  95. include/chemistry/qc/mbpt/LIBS.h
  96. include/chemistry/qc/mbpt/bzerofast.h
  97. include/chemistry/qc/mbpt/csgrad34qb.h
  98. include/chemistry/qc/mbpt/csgrade12.h
  99. include/chemistry/qc/mbpt/csgrads2pdm.h
  100. include/chemistry/qc/mbpt/hsosv1e1.h
  101. include/chemistry/qc/mbpt/linkage.h
  102. include/chemistry/qc/mbpt/mbpt.h
  103. include/chemistry/qc/mbpt/mp2extrap.h
  104. include/chemistry/qc/mbpt/util.h
  105. include/chemistry/qc/mbptr12/LIBS.h
  106. include/chemistry/qc/mbptr12/blas.h
  107. include/chemistry/qc/mbptr12/f77sym.h
  108. include/chemistry/qc/mbptr12/lapack.h
  109. include/chemistry/qc/mbptr12/linearr12.h
  110. include/chemistry/qc/mbptr12/linkage.h
  111. include/chemistry/qc/mbptr12/mbptr12.h
  112. include/chemistry/qc/mbptr12/moindexspace.h
  113. include/chemistry/qc/mbptr12/mp2r12_energy.h
  114. include/chemistry/qc/mbptr12/pairiter.h
  115. include/chemistry/qc/mbptr12/print_scmat_norms.h
  116. include/chemistry/qc/mbptr12/r12_amps.h
  117. include/chemistry/qc/mbptr12/r12ia.h
  118. include/chemistry/qc/mbptr12/r12ia_memgrp.h
  119. include/chemistry/qc/mbptr12/r12ia_mpiiofile.h
  120. include/chemistry/qc/mbptr12/r12ia_node0file.h
  121. include/chemistry/qc/mbptr12/r12int_eval.h
  122. include/chemistry/qc/mbptr12/svd.h
  123. include/chemistry/qc/mbptr12/transform_123inds.h
  124. include/chemistry/qc/mbptr12/transform_12inds.h
  125. include/chemistry/qc/mbptr12/transform_13inds.h
  126. include/chemistry/qc/mbptr12/transform_factory.h
  127. include/chemistry/qc/mbptr12/transform_ijxy.h
  128. include/chemistry/qc/mbptr12/transform_ikjy.h
  129. include/chemistry/qc/mbptr12/transform_ixjy.h
  130. include/chemistry/qc/mbptr12/transform_tbint.h
  131. include/chemistry/qc/mbptr12/twobodygrid.h
  132. include/chemistry/qc/mbptr12/vxb_eval_info.h
  133. include/chemistry/qc/oint3/LIBS.h
  134. include/chemistry/qc/oint3/build.h
  135. include/chemistry/qc/psi/LIBS.h
  136. include/chemistry/qc/psi/linkage.h
  137. include/chemistry/qc/psi/psiexenv.h
  138. include/chemistry/qc/psi/psifile11.h
  139. include/chemistry/qc/psi/psiinput.h
  140. include/chemistry/qc/psi/psiwfn.h
  141. include/chemistry/qc/scf/LIBS.h
  142. include/chemistry/qc/scf/clhf.h
  143. include/chemistry/qc/scf/clhftmpl.h
  144. include/chemistry/qc/scf/clscf.h
  145. include/chemistry/qc/scf/effh.h
  146. include/chemistry/qc/scf/gbuild.h
  147. include/chemistry/qc/scf/hsoshf.h
  148. include/chemistry/qc/scf/hsoshftmpl.h
  149. include/chemistry/qc/scf/hsosscf.h
  150. include/chemistry/qc/scf/lbgbuild.h
  151. include/chemistry/qc/scf/lgbuild.h
  152. include/chemistry/qc/scf/linkage.h
  153. include/chemistry/qc/scf/ltbgrad.h
  154. include/chemistry/qc/scf/osshf.h
  155. include/chemistry/qc/scf/osshftmpl.h
  156. include/chemistry/qc/scf/ossscf.h
  157. include/chemistry/qc/scf/scf.h
  158. include/chemistry/qc/scf/scflocal.h
  159. include/chemistry/qc/scf/scfops.h
  160. include/chemistry/qc/scf/tbgrad.h
  161. include/chemistry/qc/scf/tchf.h
  162. include/chemistry/qc/scf/tchftmpl.h
  163. include/chemistry/qc/scf/tcscf.h
  164. include/chemistry/qc/scf/uhf.h
  165. include/chemistry/qc/scf/uhftmpl.h
  166. include/chemistry/qc/scf/uscf.h
  167. include/chemistry/qc/wfn/LIBS.h
  168. include/chemistry/qc/wfn/accum.h
  169. include/chemistry/qc/wfn/density.h
  170. include/chemistry/qc/wfn/eht.h
  171. include/chemistry/qc/wfn/linkage.h
  172. include/chemistry/qc/wfn/obwfn.h
  173. include/chemistry/qc/wfn/orbital.h
  174. include/chemistry/qc/wfn/solvent.h
  175. include/chemistry/qc/wfn/wfn.h
  176. include/chemistry/solvent/LIBS.h
  177. include/chemistry/solvent/bem.h
  178. include/math/isosurf/LIBS.h
  179. include/math/isosurf/edge.h
  180. include/math/isosurf/implicit.h
  181. include/math/isosurf/isosurf.h
  182. include/math/isosurf/shape.h
  183. include/math/isosurf/surf.h
  184. include/math/isosurf/triangle.h
  185. include/math/isosurf/tricoef.h
  186. include/math/isosurf/vertex.h
  187. include/math/isosurf/volume.h
  188. include/math/isosurf/volume_i.h
  189. include/math/optimize/LIBS.h
  190. include/math/optimize/conv.h
  191. include/math/optimize/diis.h
  192. include/math/optimize/efc.h
  193. include/math/optimize/function.h
  194. include/math/optimize/gdiis.h
  195. include/math/optimize/linkage.h
  196. include/math/optimize/mcsearch.h
  197. include/math/optimize/newton.h
  198. include/math/optimize/opt.h
  199. include/math/optimize/qnewton.h
  200. include/math/optimize/scextrap.h
  201. include/math/optimize/scextrapmat.h
  202. include/math/optimize/steep.h
  203. include/math/optimize/transform.h
  204. include/math/optimize/update.h
  205. include/math/scmat/LIBS.h
  206. include/math/scmat/abstract.h
  207. include/math/scmat/blkiter.h
  208. include/math/scmat/block.h
  209. include/math/scmat/blocked.h
  210. include/math/scmat/cmatrix.h
  211. include/math/scmat/dim.h
  212. include/math/scmat/dist.h
  213. include/math/scmat/disthql.h
  214. include/math/scmat/elemop.h
  215. include/math/scmat/f77sym.h
  216. include/math/scmat/linkage.h
  217. include/math/scmat/local.h
  218. include/math/scmat/matrix.h
  219. include/math/scmat/matrix3.h
  220. include/math/scmat/matrix_i.h
  221. include/math/scmat/mops.h
  222. include/math/scmat/offset.h
  223. include/math/scmat/repl.h
  224. include/math/scmat/result.h
  225. include/math/scmat/util.h
  226. include/math/scmat/vector3.h
  227. include/math/scmat/vector3_i.h
  228. include/math/symmetry/LIBS.h
  229. include/math/symmetry/corrtab.h
  230. include/math/symmetry/pointgrp.h
  231. include/scconfig.h
  232. include/scdirlist.h
  233. include/util/class/LIBS.h
  234. include/util/class/class.h
  235. include/util/class/proxy.h
  236. include/util/class/scexception.h
  237. include/util/container/LIBS.h
  238. include/util/container/avlmap.h
  239. include/util/container/avlset.h
  240. include/util/container/bitarray.h
  241. include/util/container/carray.h
  242. include/util/container/compare.h
  243. include/util/container/eavlmmap.h
  244. include/util/group/LIBS.h
  245. include/util/group/file.h
  246. include/util/group/fileproc.h
  247. include/util/group/globcnt.h
  248. include/util/group/hcube.h
  249. include/util/group/linkage.h
  250. include/util/group/memamsg.h
  251. include/util/group/memarmci.h
  252. include/util/group/memiter.h
  253. include/util/group/memmsg.h
  254. include/util/group/memmtmpi.h
  255. include/util/group/memory.h
  256. include/util/group/memproc.h
  257. include/util/group/memrdma.h
  258. include/util/group/memshm.h
  259. include/util/group/message.h
  260. include/util/group/messaget.h
  261. include/util/group/messmpi.h
  262. include/util/group/messshm.h
  263. include/util/group/mstate.h
  264. include/util/group/pool.h
  265. include/util/group/pregtime.h
  266. include/util/group/rnglock.h
  267. include/util/group/thpthd.h
  268. include/util/group/thpuma.h
  269. include/util/group/thread.h
  270. include/util/group/topology.h
  271. include/util/keyval/LIBS.h
  272. include/util/keyval/ipv2.h
  273. include/util/keyval/ipv2_parse.h
  274. include/util/keyval/ipv2_scan.h
  275. include/util/keyval/keyval.h
  276. include/util/keyval/keyvalval.h
  277. include/util/misc/LIBS.h
  278. include/util/misc/autovec.h
  279. include/util/misc/bug.h
  280. include/util/misc/ccaenv.h
  281. include/util/misc/comptmpl.h
  282. include/util/misc/compute.h
  283. include/util/misc/exenv.h
  284. include/util/misc/formio.h
  285. include/util/misc/ieee.h
  286. include/util/misc/math.h
  287. include/util/misc/newstring.h
  288. include/util/misc/regtime.h
  289. include/util/misc/scint.h
  290. include/util/misc/string.h
  291. include/util/misc/timer.h
  292. include/util/misc/units.h
  293. include/util/options/GetLongOpt.h
  294. include/util/options/LIBS.h
  295. include/util/ref/LIBS.h
  296. include/util/ref/identity.h
  297. include/util/ref/ref.h
  298. include/util/ref/reftestx.h
  299. include/util/render/LIBS.h
  300. include/util/render/algebra3.h
  301. include/util/render/animate.h
  302. include/util/render/appearance.h
  303. include/util/render/color.h
  304. include/util/render/find.h
  305. include/util/render/linkage.h
  306. include/util/render/material.h
  307. include/util/render/object.h
  308. include/util/render/oogl.h
  309. include/util/render/parameter.h
  310. include/util/render/polygons.h
  311. include/util/render/polylines.h
  312. include/util/render/polysphere.h
  313. include/util/render/render.h
  314. include/util/render/sphere.h
  315. include/util/render/stack.h
  316. include/util/render/transform.h
  317. include/util/state/LIBS.h
  318. include/util/state/linkage.h
  319. include/util/state/proxy.h
  320. include/util/state/state.h
  321. include/util/state/state_bin.h
  322. include/util/state/state_file.h
  323. include/util/state/state_text.h
  324. include/util/state/statein.h
  325. include/util/state/stateio.h
  326. include/util/state/stateout.h
  327. include/util/state/translate.h
  328. lib/libSCbasis.a
  329. lib/libSCbasis.so
  330. lib/libSCbasis.so.7
  331. lib/libSCbasis.so.7.1.0
  332. lib/libSCcints.a
  333. lib/libSCcints.so
  334. lib/libSCcints.so.7
  335. lib/libSCcints.so.7.1.0
  336. lib/libSCclass.a
  337. lib/libSCclass.so
  338. lib/libSCclass.so.7
  339. lib/libSCclass.so.7.1.0
  340. lib/libSCcontainer.a
  341. lib/libSCcontainer.so
  342. lib/libSCcontainer.so.7
  343. lib/libSCcontainer.so.7.1.0
  344. lib/libSCdft.a
  345. lib/libSCdft.so
  346. lib/libSCdft.so.7
  347. lib/libSCdft.so.7.1.0
  348. lib/libSCgroup.a
  349. lib/libSCgroup.so
  350. lib/libSCgroup.so.7
  351. lib/libSCgroup.so.7.1.0
  352. lib/libSCintv3.a
  353. lib/libSCintv3.so
  354. lib/libSCintv3.so.7
  355. lib/libSCintv3.so.7.1.0
  356. lib/libSCisosurf.a
  357. lib/libSCisosurf.so
  358. lib/libSCisosurf.so.7
  359. lib/libSCisosurf.so.7.1.0
  360. lib/libSCkeyval.a
  361. lib/libSCkeyval.so
  362. lib/libSCkeyval.so.7
  363. lib/libSCkeyval.so.7.1.0
  364. lib/libSCmbpt.a
  365. lib/libSCmbpt.so
  366. lib/libSCmbpt.so.7
  367. lib/libSCmbpt.so.7.1.0
  368. lib/libSCmbptr12.a
  369. lib/libSCmbptr12.so
  370. lib/libSCmbptr12.so.7
  371. lib/libSCmbptr12.so.7.1.0
  372. lib/libSCmisc.a
  373. lib/libSCmisc.so
  374. lib/libSCmisc.so.7
  375. lib/libSCmisc.so.7.1.0
  376. lib/libSCmolecule.a
  377. lib/libSCmolecule.so
  378. lib/libSCmolecule.so.7
  379. lib/libSCmolecule.so.7.1.0
  380. lib/libSCoint3.a
  381. lib/libSCoint3.so
  382. lib/libSCoint3.so.7
  383. lib/libSCoint3.so.7.1.0
  384. lib/libSCoptimize.a
  385. lib/libSCoptimize.so
  386. lib/libSCoptimize.so.7
  387. lib/libSCoptimize.so.7.1.0
  388. lib/libSCoptions.a
  389. lib/libSCoptions.so
  390. lib/libSCoptions.so.7
  391. lib/libSCoptions.so.7.1.0
  392. lib/libSCpsi.a
  393. lib/libSCpsi.so
  394. lib/libSCpsi.so.7
  395. lib/libSCpsi.so.7.1.0
  396. lib/libSCref.a
  397. lib/libSCref.so
  398. lib/libSCref.so.7
  399. lib/libSCref.so.7.1.0
  400. lib/libSCrender.a
  401. lib/libSCrender.so
  402. lib/libSCrender.so.7
  403. lib/libSCrender.so.7.1.0
  404. lib/libSCscf.a
  405. lib/libSCscf.so
  406. lib/libSCscf.so.7
  407. lib/libSCscf.so.7.1.0
  408. lib/libSCscmat.a
  409. lib/libSCscmat.so
  410. lib/libSCscmat.so.7
  411. lib/libSCscmat.so.7.1.0
  412. lib/libSCsolvent.a
  413. lib/libSCsolvent.so
  414. lib/libSCsolvent.so.7
  415. lib/libSCsolvent.so.7.1.0
  416. lib/libSCstate.a
  417. lib/libSCstate.so
  418. lib/libSCstate.so.7
  419. lib/libSCstate.so.7.1.0
  420. lib/libSCsymmetry.a
  421. lib/libSCsymmetry.so
  422. lib/libSCsymmetry.so.7
  423. lib/libSCsymmetry.so.7.1.0
  424. lib/libSCwfn.a
  425. lib/libSCwfn.so
  426. lib/libSCwfn.so.7
  427. lib/libSCwfn.so.7.1.0
  428. lib/libmpqc.a
  429. lib/libmpqc.so
  430. lib/libmpqc.so.7
  431. lib/libmpqc.so.7.1.0
  432. man/man1/molrender.1.gz
  433. man/man1/mpqc.1.gz
  434. man/man1/mpqcrun.1.gz
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  6544. share/doc/mpqc/structvertex__coll__graph.png
  6545. share/doc/mpqc/structvertices-members.html
  6546. share/doc/mpqc/structvertices.html
  6547. share/doc/mpqc/structvertices__coll__graph.map
  6548. share/doc/mpqc/structvertices__coll__graph.md5
  6549. share/doc/mpqc/structvertices__coll__graph.png
  6550. share/doc/mpqc/surf_8h_source.html
  6551. share/doc/mpqc/svd_8h_source.html
  6552. share/doc/mpqc/symmetry.html
  6553. share/doc/mpqc/symmint_8h_source.html
  6554. share/doc/mpqc/sync_off.png
  6555. share/doc/mpqc/sync_on.png
  6556. share/doc/mpqc/tab_a.png
  6557. share/doc/mpqc/tab_b.png
  6558. share/doc/mpqc/tab_h.png
  6559. share/doc/mpqc/tab_s.png
  6560. share/doc/mpqc/tabs.css
  6561. share/doc/mpqc/taylor_8h_source.html
  6562. share/doc/mpqc/tbgrad_8h_source.html
  6563. share/doc/mpqc/tbint_8h_source.html
  6564. share/doc/mpqc/tbintcca_8h_source.html
  6565. share/doc/mpqc/tbintcints_8h_source.html
  6566. share/doc/mpqc/tbintv3_8h_source.html
  6567. share/doc/mpqc/tchf_8h_source.html
  6568. share/doc/mpqc/tchftmpl_8h_source.html
  6569. share/doc/mpqc/tcscf_8h_source.html
  6570. share/doc/mpqc/tformv3_8h_source.html
  6571. share/doc/mpqc/thpthd_8h_source.html
  6572. share/doc/mpqc/thpuma_8h_source.html
  6573. share/doc/mpqc/thread_8h_source.html
  6574. share/doc/mpqc/timer_8h_source.html
  6575. share/doc/mpqc/topology_8h_source.html
  6576. share/doc/mpqc/transform__123inds_8h_source.html
  6577. share/doc/mpqc/transform__12inds_8h_source.html
  6578. share/doc/mpqc/transform__13inds_8h_source.html
  6579. share/doc/mpqc/transform__factory_8h_source.html
  6580. share/doc/mpqc/transform__ijxy_8h_source.html
  6581. share/doc/mpqc/transform__ikjy_8h_source.html
  6582. share/doc/mpqc/transform__ixjy_8h_source.html
  6583. share/doc/mpqc/transform__tbint_8h_source.html
  6584. share/doc/mpqc/translate_8h_source.html
  6585. share/doc/mpqc/triangle_8h_source.html
  6586. share/doc/mpqc/tricoef_8h_source.html
  6587. share/doc/mpqc/twobodygrid_8h_source.html
  6588. share/doc/mpqc/types_8h_source.html
  6589. share/doc/mpqc/uhf_8h_source.html
  6590. share/doc/mpqc/uhftmpl_8h_source.html
  6591. share/doc/mpqc/uks_8h_source.html
  6592. share/doc/mpqc/ukstmpl_8h_source.html
  6593. share/doc/mpqc/unionYYSTYPE-members.html
  6594. share/doc/mpqc/unionYYSTYPE.html
  6595. share/doc/mpqc/unionYYSTYPE__coll__graph.map
  6596. share/doc/mpqc/unionYYSTYPE__coll__graph.md5
  6597. share/doc/mpqc/unionYYSTYPE__coll__graph.png
  6598. share/doc/mpqc/units_8h_source.html
  6599. share/doc/mpqc/update_8h_source.html
  6600. share/doc/mpqc/uscf_8h_source.html
  6601. share/doc/mpqc/util_2group_2linkage_8h_source.html
  6602. share/doc/mpqc/util_2render_2linkage_8h_source.html
  6603. share/doc/mpqc/util_2render_2transform_8h_source.html
  6604. share/doc/mpqc/util_2state_2linkage_8h_source.html
  6605. share/doc/mpqc/utils_8h_source.html
  6606. share/doc/mpqc/vector3_8h_source.html
  6607. share/doc/mpqc/vector3__i_8h_source.html
  6608. share/doc/mpqc/version_8h_source.html
  6609. share/doc/mpqc/vertex_8h_source.html
  6610. share/doc/mpqc/volume_8h_source.html
  6611. share/doc/mpqc/volume__i_8h_source.html
  6612. share/doc/mpqc/vxb__eval__info_8h_source.html
  6613. share/doc/mpqc/wfn_8h_source.html
  6614. share/examples/mpqc/Makefile
  6615. share/examples/mpqc/mp2.cc
  6616. share/examples/mpqc/mp2.in
  6617. share/mpqc/atominfo.kv
  6618. share/mpqc/basis/3-21PPg.kv
  6619. share/mpqc/basis/3-21PPgS.kv
  6620. share/mpqc/basis/3-21g.kv
  6621. share/mpqc/basis/3-21gS.kv
  6622. share/mpqc/basis/4-31g.kv
  6623. share/mpqc/basis/6-311PPgL2d_2pR.kv
  6624. share/mpqc/basis/6-311PPgL3df_3pdR.kv
  6625. share/mpqc/basis/6-311PPgSS.kv
  6626. share/mpqc/basis/6-311g.kv
  6627. share/mpqc/basis/6-311gL2df_2pdR.kv
  6628. share/mpqc/basis/6-311gS.kv
  6629. share/mpqc/basis/6-311gSS.kv
  6630. share/mpqc/basis/6-31PPg.kv
  6631. share/mpqc/basis/6-31PPgS.kv
  6632. share/mpqc/basis/6-31PPgSS.kv
  6633. share/mpqc/basis/6-31PgS.kv
  6634. share/mpqc/basis/6-31g.kv
  6635. share/mpqc/basis/6-31gS.kv
  6636. share/mpqc/basis/6-31gSS.kv
  6637. share/mpqc/basis/aug-cc-pcv5z.kv
  6638. share/mpqc/basis/aug-cc-pcvdz.kv
  6639. share/mpqc/basis/aug-cc-pcvqz.kv
  6640. share/mpqc/basis/aug-cc-pcvtz.kv
  6641. share/mpqc/basis/aug-cc-pv5z.kv
  6642. share/mpqc/basis/aug-cc-pv6z.kv
  6643. share/mpqc/basis/aug-cc-pvdz.kv
  6644. share/mpqc/basis/aug-cc-pvqz.kv
  6645. share/mpqc/basis/aug-cc-pvtz.kv
  6646. share/mpqc/basis/cc-pcv5z.kv
  6647. share/mpqc/basis/cc-pcvdz.kv
  6648. share/mpqc/basis/cc-pcvqz.kv
  6649. share/mpqc/basis/cc-pcvtz.kv
  6650. share/mpqc/basis/cc-pv5z.kv
  6651. share/mpqc/basis/cc-pv6z.kv
  6652. share/mpqc/basis/cc-pvdz.kv
  6653. share/mpqc/basis/cc-pvqz.kv
  6654. share/mpqc/basis/cc-pvtz.kv
  6655. share/mpqc/basis/dz_LdunningR.kv
  6656. share/mpqc/basis/dzp_LdunningR.kv
  6657. share/mpqc/basis/dzp_P_diffuse_LdunningR.kv
  6658. share/mpqc/basis/midi_LhuzinagaR.kv
  6659. share/mpqc/basis/mini_LhuzinagaR.kv
  6660. share/mpqc/basis/mini_LscaledR.kv
  6661. share/mpqc/basis/nasa_ames_ano.kv
  6662. share/mpqc/basis/pc-0-aug.kv
  6663. share/mpqc/basis/pc-0.kv
  6664. share/mpqc/basis/pc-1-aug.kv
  6665. share/mpqc/basis/pc-1.kv
  6666. share/mpqc/basis/pc-2-aug.kv
  6667. share/mpqc/basis/pc-2.kv
  6668. share/mpqc/basis/pc-3-aug.kv
  6669. share/mpqc/basis/pc-3.kv
  6670. share/mpqc/basis/pc-4-aug.kv
  6671. share/mpqc/basis/pc-4.kv
  6672. share/mpqc/basis/sto-2g.kv
  6673. share/mpqc/basis/sto-3g.kv
  6674. share/mpqc/basis/sto-3gS.kv
  6675. share/mpqc/basis/sto-6g.kv
  6676. share/mpqc/basis/tz_LdunningR.kv
  6677. share/mpqc/ccarunproc
  6678. share/mpqc/elisp/SC.el
  6679. share/mpqc/elisp/compile.el
  6680. share/mpqc/elisp/keyval.el
  6681. share/mpqc/elisp/mpqc.el
  6682. share/mpqc/magic
  6683. share/mpqc/mpqcrunproc
  6684. share/mpqc/perl/AtomicBases.pm
  6685. share/mpqc/perl/AtomicBasis.pm
  6686. share/mpqc/perl/Molecule.pm
  6687. share/mpqc/perl/QCParse.pm
  6688. share/mpqc/perl/QCResult.pm
  6689. @postexec /usr/sbin/service ldconfig restart > /dev/null
  6690. @postunexec /usr/sbin/service ldconfig restart > /dev/null
Collapse this list.
Dependency lines:
  • mpqc-mpich>0:science/mpqc-mpich
No installation instructions:
This port has been deleted.
PKGNAME: mpqc-mpich
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

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No package information for this port in our database
Sometimes this happens. Not all ports have packages.
Master port: science/mpqc
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. doxygen : devel/doxygen
  2. dot : graphics/graphviz
  3. gfortran7 : lang/gcc7
  4. gmake : devel/gmake
  5. as : devel/binutils
  6. perl5>=5.26<5.27 : lang/perl5.26
Runtime dependencies:
  1. wish : x11-toolkits/tk-wrapper
  2. gfortran7 : lang/gcc7
  3. perl5>=5.26<5.27 : lang/perl5.26
Library dependencies:
  1. libint.so : science/libint
  2. libmpich.so : net/mpich2
  3. libblas.so : math/blas
  4. liblapack.so : math/lapack
There are no ports dependent upon this port

Configuration Options:
===> The following configuration options are available for mpqc-mpich-2.3.1_37: 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 OPTIFLAGS=off: Build with optimized flags ===> Use 'make config' to modify these settings
Options name:
N/A
USES:
fortran gmake libtool localbase perl5 shebangfix tar:bzip2 blaslapack:netlib
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (26 items)
Collapse this list.
  1. http://cytranet.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  2. http://downloads.sourceforge.net/project/mpqc/mpqc/2.3.1/
  3. http://excellmedia.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  4. http://freefr.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  5. http://jaist.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  6. http://kent.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  7. http://nchc.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  8. http://netcologne.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  9. http://netix.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  10. http://superb-dca2.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  11. http://superb-sea2.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  12. http://ufpr.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  13. http://vorboss.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  14. https://cytranet.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  15. https://downloads.sourceforge.net/project/mpqc/mpqc/2.3.1/
  16. https://excellmedia.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  17. https://freefr.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  18. https://jaist.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  19. https://kent.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  20. https://nchc.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  21. https://netcologne.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  22. https://netix.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  23. https://superb-dca2.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  24. https://superb-sea2.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  25. https://ufpr.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
  26. https://vorboss.dl.sourceforge.net/project/mpqc/mpqc/2.3.1/
Collapse this list.

Number of commits found: 16

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
This is a slave port. You may also want to view the commits to the master port: science/mpqc
CommitCreditsLog message
2.3.1_37
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_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_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_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_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_14
10 Feb 2012 09:33:05
Original commit files touched by this commit
matthew search for other commits by this committer
Fix the two affected ports

PR:             163963
Approved by:    maho (maintainer) shaun (mentor)
2.3.0
19 Nov 2006 08:42:07
Original commit files touched by this commit
maho search for other commits by this committer
* 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.
2.2.1_1
16 Aug 2004 12:13:32
Original commit files touched by this commit
maho search for other commits by this committer
USE_ICC -> WITH_ICC, and mpi support

Passed by:      portlint
2.2.1_1
07 Mar 2004 22:46:42
Original commit files touched by this commit
maho search for other commits by this committer
USE MASTERDIR when include Makefile

PR:     63730
Submitted by:  Mark Linimon <linimon@FreeBSD.org>
Suggestion by: Masafumi Otsune <info@otsune.com>
2.1.4
30 Aug 2003 01:40:58
Original commit files touched by this commit
maho search for other commits by this committer
Fixed build dependency

Submitted by:   bento
2.1.3
27 Jul 2003 07:31:27
Original commit files touched by this commit
maho search for other commits by this committer
Unbreak by clean-ups.

For unbreak:
a) location of .include "${.CURDIR}/../mpqc/Makefile"
   is just after the BUILD_DEPENDS to avoid override.

For clean-ups:
1) ${F77}->${FC}
2) Use ${LOCALBASE} for CONFIGURE_ARGS for mpqc-mpich
3) ${MASTERDIR}/files -> ${FILESDIR}
4) remove LIB_DEPENDS for mpqc-mpich (redundant)

Reported by:    bento's log
Reviewed by:    okazaki and sf
2.1.1
18 Nov 2002 06:58:42
Original commit files touched by this commit
maho search for other commits by this committer
Fix the problem mpqc and mpqc-mpich port
both produces packages have identical name.

Reviewed by:    knu(mentor)
2.1.1
31 Aug 2002 04:49:07
Original commit files touched by this commit
kris search for other commits by this committer
Rename this port to mpqc-mpich to avoid conflicting with mpqc port.

Pointy hat to:  ijliao
2.1.1
17 Jul 2002 10:44:20
Original commit files touched by this commit
ijliao search for other commits by this committer
correct the installation path

Submitted by:   maintainer
2.1.1
16 Jul 2002 11:57:08
Original commit files touched by this commit
ijliao search for other commits by this committer
forgot a "\"

Submitted by:   "Dan Langille" <dan@langille.org>
2.1.1
16 Jul 2002 06:53:52
Original commit files touched by this commit
ijliao search for other commits by this committer
add mpqc-mpich

PR:             40631
Submitted by:   Nakata Maho <chat95@mbox.kyoto-inet.or.jp>

Number of commits found: 16