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Port details
gromacs Compute molecular dynamics
2021.1 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 2021.1Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2004-10-19 01:46:50
Last Update: 2021-03-09 05:11:29
SVN Revision: 567890
License: LGPL21
Description:
SVNWeb : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (705 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/gromacs-2021.1/catalog.mk
  3. /usr/local/share/licenses/gromacs-2021.1/LICENSE
  4. /usr/local/share/licenses/gromacs-2021.1/LGPL21
  5. bin/GMXRC
  6. bin/GMXRC.bash
  7. bin/GMXRC.csh
  8. bin/GMXRC.zsh
  9. bin/demux.pl
  10. bin/gmx_d
  11. bin/gmx-completion-gmx_d.bash
  12. bin/gmx-completion.bash
  13. bin/xplor2gmx.pl
  14. include/gmxapi/compat/mdparams.h
  15. include/gmxapi/compat/tpr.h
  16. include/gmxapi/context.h
  17. include/gmxapi/exceptions.h
  18. include/gmxapi/gmxapi.h
  19. include/gmxapi/gmxapicompat.h
  20. include/gmxapi/gromacsfwd.h
  21. include/gmxapi/md.h
  22. include/gmxapi/md/mdmodule.h
  23. include/gmxapi/md/mdsignals.h
  24. include/gmxapi/mpi/gmxapi_mpi.h
  25. include/gmxapi/mpi/resourceassignment.h
  26. include/gmxapi/session.h
  27. include/gmxapi/session/resources.h
  28. include/gmxapi/status.h
  29. include/gmxapi/system.h
  30. include/gmxapi/version.h
  31. include/gromacs/analysisdata.h
  32. include/gromacs/analysisdata/abstractdata.h
  33. include/gromacs/analysisdata/analysisdata.h
  34. include/gromacs/analysisdata/arraydata.h
  35. include/gromacs/analysisdata/dataframe.h
  36. include/gromacs/analysisdata/datamodule.h
  37. include/gromacs/analysisdata/modules/average.h
  38. include/gromacs/analysisdata/modules/displacement.h
  39. include/gromacs/analysisdata/modules/histogram.h
  40. include/gromacs/analysisdata/modules/lifetime.h
  41. include/gromacs/analysisdata/modules/plot.h
  42. include/gromacs/external/boost/stl_interfaces/fwd.hpp
  43. include/gromacs/external/boost/stl_interfaces/iterator_interface.hpp
  44. include/gromacs/fileio/confio.h
  45. include/gromacs/fileio/filetypes.h
  46. include/gromacs/fileio/oenv.h
  47. include/gromacs/fileio/pdbio.h
  48. include/gromacs/fileio/tpxio.h
  49. include/gromacs/fileio/trxio.h
  50. include/gromacs/math/do_fit.h
  51. include/gromacs/math/functions.h
  52. include/gromacs/math/units.h
  53. include/gromacs/math/utilities.h
  54. include/gromacs/math/vec.h
  55. include/gromacs/math/vectypes.h
  56. include/gromacs/mdrun/simulationinputhandle.h
  57. include/gromacs/mdtypes/inputrec.h
  58. include/gromacs/mdtypes/md_enums.h
  59. include/gromacs/options.h
  60. include/gromacs/options/abstractoption.h
  61. include/gromacs/options/basicoptions.h
  62. include/gromacs/options/filenameoption.h
  63. include/gromacs/options/filenameoptionmanager.h
  64. include/gromacs/options/ioptionsbehavior.h
  65. include/gromacs/options/ioptionscontainer.h
  66. include/gromacs/options/ioptionscontainerwithsections.h
  67. include/gromacs/options/ivaluestore.h
  68. include/gromacs/options/optionfiletype.h
  69. include/gromacs/options/optionflags.h
  70. include/gromacs/options/options.h
  71. include/gromacs/options/timeunitmanager.h
  72. include/gromacs/pbcutil/pbc.h
  73. include/gromacs/restraint/restraintpotential.h
  74. include/gromacs/selection.h
  75. include/gromacs/selection/indexutil.h
  76. include/gromacs/selection/nbsearch.h
  77. include/gromacs/selection/position.h
  78. include/gromacs/selection/selection.h
  79. include/gromacs/selection/selectioncollection.h
  80. include/gromacs/selection/selectionenums.h
  81. include/gromacs/selection/selectionoption.h
  82. include/gromacs/selection/selectionoptionbehavior.h
  83. include/gromacs/selection/selectionoptionmanager.h
  84. include/gromacs/topology/atomprop.h
  85. include/gromacs/topology/atoms.h
  86. include/gromacs/topology/block.h
  87. include/gromacs/topology/forcefieldparameters.h
  88. include/gromacs/topology/idef.h
  89. include/gromacs/topology/ifunc.h
  90. include/gromacs/topology/index.h
  91. include/gromacs/topology/symtab.h
  92. include/gromacs/topology/topology.h
  93. include/gromacs/trajectory/trajectoryframe.h
  94. include/gromacs/trajectoryanalysis.h
  95. include/gromacs/trajectoryanalysis/analysismodule.h
  96. include/gromacs/trajectoryanalysis/analysissettings.h
  97. include/gromacs/trajectoryanalysis/cmdlinerunner.h
  98. include/gromacs/trajectoryanalysis/topologyinformation.h
  99. include/gromacs/utility/arrayref.h
  100. include/gromacs/utility/basedefinitions.h
  101. include/gromacs/utility/baseversion.h
  102. include/gromacs/utility/classhelpers.h
  103. include/gromacs/utility/current_function.h
  104. include/gromacs/utility/enumerationhelpers.h
  105. include/gromacs/utility/exceptions.h
  106. include/gromacs/utility/fileptr.h
  107. include/gromacs/utility/flags.h
  108. include/gromacs/utility/futil.h
  109. include/gromacs/utility/gmxassert.h
  110. include/gromacs/utility/listoflists.h
  111. include/gromacs/utility/pleasecite.h
  112. include/gromacs/utility/programcontext.h
  113. include/gromacs/utility/range.h
  114. include/gromacs/utility/real.h
  115. include/gromacs/utility/smalloc.h
  116. include/gromacs/utility/stringutil.h
  117. include/gromacs/utility/unique_cptr.h
  118. include/gromacs/version.h
  119. include/nblib/basicdefinitions.h
  120. include/nblib/bondtypes.h
  121. include/nblib/box.h
  122. include/nblib/calculator.h
  123. include/nblib/definitions.h
  124. include/nblib/exception.h
  125. include/nblib/forcecalculator.h
  126. include/nblib/integrator.h
  127. include/nblib/interactions.h
  128. include/nblib/kerneloptions.h
  129. include/nblib/molecules.h
  130. include/nblib/nblib.h
  131. include/nblib/particlesequencer.h
  132. include/nblib/particletype.h
  133. include/nblib/simulationstate.h
  134. include/nblib/topology.h
  135. include/nblib/util/setup.h
  136. lib/libgmxapi_d.so
  137. lib/libgmxapi_d.so.0
  138. lib/libgmxapi_d.so.0.2.0
  139. lib/libgromacs_d.so
  140. lib/libgromacs_d.so.6
  141. lib/libgromacs_d.so.6.0.0
  142. lib/libnblib.so
  143. lib/libnblib.so.0
  144. lib/libnblib.so.0.1.0
  145. libdata/pkgconfig/libgromacs_d.pc
  146. share/cmake/gmxapi/gmxapi-config-version.cmake
  147. share/cmake/gmxapi/gmxapi-config.cmake
  148. share/cmake/gmxapi/gmxapi-release.cmake
  149. share/cmake/gmxapi/gmxapi.cmake
  150. share/cmake/gromacs_d/gromacs_d-config-version.cmake
  151. share/cmake/gromacs_d/gromacs_d-config.cmake
  152. share/cmake/gromacs_d/gromacs-toolchain_d.cmake
  153. share/cmake/gromacs_d/libgromacs-release.cmake
  154. share/cmake/gromacs_d/libgromacs.cmake
  155. share/gromacs/COPYING
  156. share/gromacs/README.tutor
  157. share/gromacs/README_FreeEnergyModifications.txt
  158. @comment share/gromacs/opencl/nbnxn_ocl_kernel_amd.clh
  159. @comment share/gromacs/opencl/nbnxn_ocl_kernel_nowarp.clh
  160. @comment share/gromacs/opencl/nbnxn_ocl_kernel_nvidia.clh
  161. @comment share/gromacs/opencl/nbnxn_ocl_kernel_pruneonly.clh
  162. @comment share/gromacs/opencl/nbnxn_ocl_kernel_utils.clh
  163. @comment share/gromacs/opencl/nbnxn_ocl_kernels.cl
  164. @comment share/gromacs/opencl/nbnxn_ocl_kernels.clh
  165. @comment share/gromacs/opencl/nbnxn_ocl_kernels_fastgen.clh
  166. @comment share/gromacs/opencl/nbnxn_ocl_kernels_fastgen_add_twincut.clh
  167. @comment share/gromacs/opencl/vectype_ops.clh
  168. share/gromacs/template/CMakeLists.txt
  169. share/gromacs/template/Makefile.pkg
  170. share/gromacs/template/README
  171. share/gromacs/template/cmake/FindGROMACS.cmake
  172. share/gromacs/template/template.cpp
  173. share/gromacs/top/README
  174. share/gromacs/top/amber03.ff/aminoacids.arn
  175. share/gromacs/top/amber03.ff/aminoacids.c.tdb
  176. share/gromacs/top/amber03.ff/aminoacids.hdb
  177. share/gromacs/top/amber03.ff/aminoacids.n.tdb
  178. share/gromacs/top/amber03.ff/aminoacids.r2b
  179. share/gromacs/top/amber03.ff/aminoacids.rtp
  180. share/gromacs/top/amber03.ff/aminoacids.vsd
  181. share/gromacs/top/amber03.ff/atomtypes.atp
  182. share/gromacs/top/amber03.ff/dna.arn
  183. share/gromacs/top/amber03.ff/dna.hdb
  184. share/gromacs/top/amber03.ff/dna.r2b
  185. share/gromacs/top/amber03.ff/dna.rtp
  186. share/gromacs/top/amber03.ff/ffbonded.itp
  187. share/gromacs/top/amber03.ff/ffnonbonded.itp
  188. share/gromacs/top/amber03.ff/forcefield.doc
  189. share/gromacs/top/amber03.ff/forcefield.itp
  190. share/gromacs/top/amber03.ff/ions.itp
  191. share/gromacs/top/amber03.ff/rna.arn
  192. share/gromacs/top/amber03.ff/rna.hdb
  193. share/gromacs/top/amber03.ff/rna.r2b
  194. share/gromacs/top/amber03.ff/rna.rtp
  195. share/gromacs/top/amber03.ff/spc.itp
  196. share/gromacs/top/amber03.ff/spce.itp
  197. share/gromacs/top/amber03.ff/tip3p.itp
  198. share/gromacs/top/amber03.ff/tip4p.itp
  199. share/gromacs/top/amber03.ff/tip4pew.itp
  200. share/gromacs/top/amber03.ff/tip5p.itp
  201. share/gromacs/top/amber03.ff/urea.itp
  202. share/gromacs/top/amber03.ff/watermodels.dat
  203. share/gromacs/top/amber94.ff/aminoacids.arn
  204. share/gromacs/top/amber94.ff/aminoacids.c.tdb
  205. share/gromacs/top/amber94.ff/aminoacids.hdb
  206. share/gromacs/top/amber94.ff/aminoacids.n.tdb
  207. share/gromacs/top/amber94.ff/aminoacids.r2b
  208. share/gromacs/top/amber94.ff/aminoacids.rtp
  209. share/gromacs/top/amber94.ff/aminoacids.vsd
  210. share/gromacs/top/amber94.ff/atomtypes.atp
  211. share/gromacs/top/amber94.ff/dna.arn
  212. share/gromacs/top/amber94.ff/dna.hdb
  213. share/gromacs/top/amber94.ff/dna.r2b
  214. share/gromacs/top/amber94.ff/dna.rtp
  215. share/gromacs/top/amber94.ff/ffbonded.itp
  216. share/gromacs/top/amber94.ff/ffnonbonded.itp
  217. share/gromacs/top/amber94.ff/forcefield.doc
  218. share/gromacs/top/amber94.ff/forcefield.itp
  219. share/gromacs/top/amber94.ff/ions.itp
  220. share/gromacs/top/amber94.ff/rna.arn
  221. share/gromacs/top/amber94.ff/rna.hdb
  222. share/gromacs/top/amber94.ff/rna.r2b
  223. share/gromacs/top/amber94.ff/rna.rtp
  224. share/gromacs/top/amber94.ff/spc.itp
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  229. share/gromacs/top/amber94.ff/tip5p.itp
  230. share/gromacs/top/amber94.ff/urea.itp
  231. share/gromacs/top/amber94.ff/watermodels.dat
  232. share/gromacs/top/amber96.ff/aminoacids.arn
  233. share/gromacs/top/amber96.ff/aminoacids.c.tdb
  234. share/gromacs/top/amber96.ff/aminoacids.hdb
  235. share/gromacs/top/amber96.ff/aminoacids.n.tdb
  236. share/gromacs/top/amber96.ff/aminoacids.r2b
  237. share/gromacs/top/amber96.ff/aminoacids.rtp
  238. share/gromacs/top/amber96.ff/aminoacids.vsd
  239. share/gromacs/top/amber96.ff/atomtypes.atp
  240. share/gromacs/top/amber96.ff/dna.arn
  241. share/gromacs/top/amber96.ff/dna.hdb
  242. share/gromacs/top/amber96.ff/dna.r2b
  243. share/gromacs/top/amber96.ff/dna.rtp
  244. share/gromacs/top/amber96.ff/ffbonded.itp
  245. share/gromacs/top/amber96.ff/ffnonbonded.itp
  246. share/gromacs/top/amber96.ff/forcefield.doc
  247. share/gromacs/top/amber96.ff/forcefield.itp
  248. share/gromacs/top/amber96.ff/ions.itp
  249. share/gromacs/top/amber96.ff/rna.arn
  250. share/gromacs/top/amber96.ff/rna.hdb
  251. share/gromacs/top/amber96.ff/rna.r2b
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  259. share/gromacs/top/amber96.ff/urea.itp
  260. share/gromacs/top/amber96.ff/watermodels.dat
  261. share/gromacs/top/amber99.ff/aminoacids.arn
  262. share/gromacs/top/amber99.ff/aminoacids.c.tdb
  263. share/gromacs/top/amber99.ff/aminoacids.hdb
  264. share/gromacs/top/amber99.ff/aminoacids.n.tdb
  265. share/gromacs/top/amber99.ff/aminoacids.r2b
  266. share/gromacs/top/amber99.ff/aminoacids.rtp
  267. share/gromacs/top/amber99.ff/aminoacids.vsd
  268. share/gromacs/top/amber99.ff/atomtypes.atp
  269. share/gromacs/top/amber99.ff/dna.arn
  270. share/gromacs/top/amber99.ff/dna.hdb
  271. share/gromacs/top/amber99.ff/dna.r2b
  272. share/gromacs/top/amber99.ff/dna.rtp
  273. share/gromacs/top/amber99.ff/ffbonded.itp
  274. share/gromacs/top/amber99.ff/ffnonbonded.itp
  275. share/gromacs/top/amber99.ff/forcefield.doc
  276. share/gromacs/top/amber99.ff/forcefield.itp
  277. share/gromacs/top/amber99.ff/ions.itp
  278. share/gromacs/top/amber99.ff/rna.arn
  279. share/gromacs/top/amber99.ff/rna.hdb
  280. share/gromacs/top/amber99.ff/rna.r2b
  281. share/gromacs/top/amber99.ff/rna.rtp
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  288. share/gromacs/top/amber99.ff/urea.itp
  289. share/gromacs/top/amber99.ff/watermodels.dat
  290. share/gromacs/top/amber99sb-ildn.ff/aminoacids.arn
  291. share/gromacs/top/amber99sb-ildn.ff/aminoacids.c.tdb
  292. share/gromacs/top/amber99sb-ildn.ff/aminoacids.hdb
  293. share/gromacs/top/amber99sb-ildn.ff/aminoacids.n.tdb
  294. share/gromacs/top/amber99sb-ildn.ff/aminoacids.r2b
  295. share/gromacs/top/amber99sb-ildn.ff/aminoacids.rtp
  296. share/gromacs/top/amber99sb-ildn.ff/aminoacids.vsd
  297. share/gromacs/top/amber99sb-ildn.ff/atomtypes.atp
  298. share/gromacs/top/amber99sb-ildn.ff/dna.arn
  299. share/gromacs/top/amber99sb-ildn.ff/dna.hdb
  300. share/gromacs/top/amber99sb-ildn.ff/dna.r2b
  301. share/gromacs/top/amber99sb-ildn.ff/dna.rtp
  302. share/gromacs/top/amber99sb-ildn.ff/ffbonded.itp
  303. share/gromacs/top/amber99sb-ildn.ff/ffnonbonded.itp
  304. share/gromacs/top/amber99sb-ildn.ff/forcefield.doc
  305. share/gromacs/top/amber99sb-ildn.ff/forcefield.itp
  306. share/gromacs/top/amber99sb-ildn.ff/ions.itp
  307. share/gromacs/top/amber99sb-ildn.ff/rna.arn
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  310. share/gromacs/top/amber99sb-ildn.ff/rna.rtp
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  319. share/gromacs/top/amber99sb.ff/aminoacids.arn
  320. share/gromacs/top/amber99sb.ff/aminoacids.c.tdb
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  327. share/gromacs/top/amber99sb.ff/dna.arn
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  333. share/gromacs/top/amber99sb.ff/forcefield.doc
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  348. share/gromacs/top/amberGS.ff/aminoacids.arn
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  366. share/gromacs/top/amberGS.ff/rna.hdb
  367. share/gromacs/top/amberGS.ff/rna.r2b
  368. share/gromacs/top/amberGS.ff/rna.rtp
  369. share/gromacs/top/amberGS.ff/spc.itp
  370. share/gromacs/top/amberGS.ff/spce.itp
  371. share/gromacs/top/amberGS.ff/tip3p.itp
  372. share/gromacs/top/amberGS.ff/tip4p.itp
  373. share/gromacs/top/amberGS.ff/tip4pew.itp
  374. share/gromacs/top/amberGS.ff/tip5p.itp
  375. share/gromacs/top/amberGS.ff/urea.itp
  376. share/gromacs/top/amberGS.ff/watermodels.dat
  377. share/gromacs/top/atom_nom.tbl
  378. share/gromacs/top/atommass.dat
  379. share/gromacs/top/bonds.dlg
  380. share/gromacs/top/ca-shift.dat
  381. share/gromacs/top/cb-shift.dat
  382. share/gromacs/top/charmm27.ff/aminoacids.arn
  383. share/gromacs/top/charmm27.ff/aminoacids.c.tdb
  384. share/gromacs/top/charmm27.ff/aminoacids.hdb
  385. share/gromacs/top/charmm27.ff/aminoacids.n.tdb
  386. share/gromacs/top/charmm27.ff/aminoacids.r2b
  387. share/gromacs/top/charmm27.ff/aminoacids.rtp
  388. share/gromacs/top/charmm27.ff/aminoacids.vsd
  389. share/gromacs/top/charmm27.ff/atomtypes.atp
  390. share/gromacs/top/charmm27.ff/cmap.itp
  391. share/gromacs/top/charmm27.ff/dna.arn
  392. share/gromacs/top/charmm27.ff/dna.c.tdb
  393. share/gromacs/top/charmm27.ff/dna.hdb
  394. share/gromacs/top/charmm27.ff/dna.n.tdb
  395. share/gromacs/top/charmm27.ff/dna.rtp
  396. share/gromacs/top/charmm27.ff/ffbonded.itp
  397. share/gromacs/top/charmm27.ff/ffnabonded.itp
  398. share/gromacs/top/charmm27.ff/ffnanonbonded.itp
  399. share/gromacs/top/charmm27.ff/ffnonbonded.itp
  400. share/gromacs/top/charmm27.ff/forcefield.doc
  401. share/gromacs/top/charmm27.ff/forcefield.itp
  402. share/gromacs/top/charmm27.ff/ions.itp
  403. share/gromacs/top/charmm27.ff/lipids.hdb
  404. share/gromacs/top/charmm27.ff/lipids.rtp
  405. share/gromacs/top/charmm27.ff/rna.arn
  406. share/gromacs/top/charmm27.ff/rna.c.tdb
  407. share/gromacs/top/charmm27.ff/rna.hdb
  408. share/gromacs/top/charmm27.ff/rna.n.tdb
  409. share/gromacs/top/charmm27.ff/rna.r2b
  410. share/gromacs/top/charmm27.ff/rna.rtp
  411. share/gromacs/top/charmm27.ff/spc.itp
  412. share/gromacs/top/charmm27.ff/spce.itp
  413. share/gromacs/top/charmm27.ff/tip3p.itp
  414. share/gromacs/top/charmm27.ff/tip4p.itp
  415. share/gromacs/top/charmm27.ff/tip5p.itp
  416. share/gromacs/top/charmm27.ff/tips3p.itp
  417. share/gromacs/top/charmm27.ff/watermodels.dat
  418. share/gromacs/top/co-shift.dat
  419. share/gromacs/top/defselection.dat
  420. share/gromacs/top/dgsolv.dat
  421. share/gromacs/top/edissoc.dat
  422. share/gromacs/top/electroneg.dat
  423. share/gromacs/top/elements.dat
  424. share/gromacs/top/export.dlg
  425. share/gromacs/top/ffG43a1.itp
  426. share/gromacs/top/ffG43a2.itp
  427. share/gromacs/top/ffG45a3.itp
  428. share/gromacs/top/ffG53a5.itp
  429. share/gromacs/top/ffG53a6.itp
  430. share/gromacs/top/ffoplsaa-n.tst
  431. share/gromacs/top/ffoplsaa.itp
  432. share/gromacs/top/flexspc.itp
  433. share/gromacs/top/flexspce.itp
  434. share/gromacs/top/flexwat-ferguson.itp
  435. share/gromacs/top/gromos43a1.ff/aminoacids.c.tdb
  436. share/gromacs/top/gromos43a1.ff/aminoacids.hdb
  437. share/gromacs/top/gromos43a1.ff/aminoacids.n.tdb
  438. share/gromacs/top/gromos43a1.ff/aminoacids.r2b
  439. share/gromacs/top/gromos43a1.ff/aminoacids.rtp
  440. share/gromacs/top/gromos43a1.ff/aminoacids.vsd
  441. share/gromacs/top/gromos43a1.ff/atomtypes.atp
  442. share/gromacs/top/gromos43a1.ff/ff_dum.itp
  443. share/gromacs/top/gromos43a1.ff/ffbonded.itp
  444. share/gromacs/top/gromos43a1.ff/ffnonbonded.itp
  445. share/gromacs/top/gromos43a1.ff/forcefield.doc
  446. share/gromacs/top/gromos43a1.ff/forcefield.itp
  447. share/gromacs/top/gromos43a1.ff/ions.itp
  448. share/gromacs/top/gromos43a1.ff/methanol.itp
  449. share/gromacs/top/gromos43a1.ff/methanol216.gro
  450. share/gromacs/top/gromos43a1.ff/spc.itp
  451. share/gromacs/top/gromos43a1.ff/spce.itp
  452. share/gromacs/top/gromos43a1.ff/tip3p.itp
  453. share/gromacs/top/gromos43a1.ff/tip4p.itp
  454. share/gromacs/top/gromos43a1.ff/watermodels.dat
  455. share/gromacs/top/gromos43a2.ff/aminoacids.c.tdb
  456. share/gromacs/top/gromos43a2.ff/aminoacids.hdb
  457. share/gromacs/top/gromos43a2.ff/aminoacids.n.tdb
  458. share/gromacs/top/gromos43a2.ff/aminoacids.r2b
  459. share/gromacs/top/gromos43a2.ff/aminoacids.rtp
  460. share/gromacs/top/gromos43a2.ff/aminoacids.vsd
  461. share/gromacs/top/gromos43a2.ff/atomtypes.atp
  462. share/gromacs/top/gromos43a2.ff/ff_dum.itp
  463. share/gromacs/top/gromos43a2.ff/ffbonded.itp
  464. share/gromacs/top/gromos43a2.ff/ffnonbonded.itp
  465. share/gromacs/top/gromos43a2.ff/forcefield.doc
  466. share/gromacs/top/gromos43a2.ff/forcefield.itp
  467. share/gromacs/top/gromos43a2.ff/ions.itp
  468. share/gromacs/top/gromos43a2.ff/spc.itp
  469. share/gromacs/top/gromos43a2.ff/spce.itp
  470. share/gromacs/top/gromos43a2.ff/tip3p.itp
  471. share/gromacs/top/gromos43a2.ff/tip4p.itp
  472. share/gromacs/top/gromos43a2.ff/watermodels.dat
  473. share/gromacs/top/gromos45a3.ff/aminoacids.c.tdb
  474. share/gromacs/top/gromos45a3.ff/aminoacids.hdb
  475. share/gromacs/top/gromos45a3.ff/aminoacids.n.tdb
  476. share/gromacs/top/gromos45a3.ff/aminoacids.r2b
  477. share/gromacs/top/gromos45a3.ff/aminoacids.rtp
  478. share/gromacs/top/gromos45a3.ff/aminoacids.vsd
  479. share/gromacs/top/gromos45a3.ff/atomtypes.atp
  480. share/gromacs/top/gromos45a3.ff/ff_dum.itp
  481. share/gromacs/top/gromos45a3.ff/ffbonded.itp
  482. share/gromacs/top/gromos45a3.ff/ffnonbonded.itp
  483. share/gromacs/top/gromos45a3.ff/forcefield.doc
  484. share/gromacs/top/gromos45a3.ff/forcefield.itp
  485. share/gromacs/top/gromos45a3.ff/ions.itp
  486. share/gromacs/top/gromos45a3.ff/spc.itp
  487. share/gromacs/top/gromos45a3.ff/spce.itp
  488. share/gromacs/top/gromos45a3.ff/tip3p.itp
  489. share/gromacs/top/gromos45a3.ff/tip4p.itp
  490. share/gromacs/top/gromos45a3.ff/watermodels.dat
  491. share/gromacs/top/gromos53a5.ff/aminoacids.c.tdb
  492. share/gromacs/top/gromos53a5.ff/aminoacids.hdb
  493. share/gromacs/top/gromos53a5.ff/aminoacids.n.tdb
  494. share/gromacs/top/gromos53a5.ff/aminoacids.r2b
  495. share/gromacs/top/gromos53a5.ff/aminoacids.rtp
  496. share/gromacs/top/gromos53a5.ff/aminoacids.vsd
  497. share/gromacs/top/gromos53a5.ff/atomname2type.n2t
  498. share/gromacs/top/gromos53a5.ff/atomtypes.atp
  499. share/gromacs/top/gromos53a5.ff/ff_dum.itp
  500. share/gromacs/top/gromos53a5.ff/ffbonded.itp
  501. share/gromacs/top/gromos53a5.ff/ffnonbonded.itp
  502. share/gromacs/top/gromos53a5.ff/forcefield.doc
  503. share/gromacs/top/gromos53a5.ff/forcefield.itp
  504. share/gromacs/top/gromos53a5.ff/ions.itp
  505. share/gromacs/top/gromos53a5.ff/spc.itp
  506. share/gromacs/top/gromos53a5.ff/spce.itp
  507. share/gromacs/top/gromos53a5.ff/tip3p.itp
  508. share/gromacs/top/gromos53a5.ff/tip4p.itp
  509. share/gromacs/top/gromos53a5.ff/watermodels.dat
  510. share/gromacs/top/gromos53a6.ff/aminoacids.c.tdb
  511. share/gromacs/top/gromos53a6.ff/aminoacids.hdb
  512. share/gromacs/top/gromos53a6.ff/aminoacids.n.tdb
  513. share/gromacs/top/gromos53a6.ff/aminoacids.r2b
  514. share/gromacs/top/gromos53a6.ff/aminoacids.rtp
  515. share/gromacs/top/gromos53a6.ff/aminoacids.vsd
  516. share/gromacs/top/gromos53a6.ff/atomtypes.atp
  517. share/gromacs/top/gromos53a6.ff/ff_dum.itp
  518. share/gromacs/top/gromos53a6.ff/ffbonded.itp
  519. share/gromacs/top/gromos53a6.ff/ffnonbonded.itp
  520. share/gromacs/top/gromos53a6.ff/forcefield.doc
  521. share/gromacs/top/gromos53a6.ff/forcefield.itp
  522. share/gromacs/top/gromos53a6.ff/ions.itp
  523. share/gromacs/top/gromos53a6.ff/spc.itp
  524. share/gromacs/top/gromos53a6.ff/spce.itp
  525. share/gromacs/top/gromos53a6.ff/tip3p.itp
  526. share/gromacs/top/gromos53a6.ff/tip4p.itp
  527. share/gromacs/top/gromos53a6.ff/watermodels.dat
  528. share/gromacs/top/gromos54a7.ff/aminoacids.c.tdb
  529. share/gromacs/top/gromos54a7.ff/aminoacids.hdb
  530. share/gromacs/top/gromos54a7.ff/aminoacids.n.tdb
  531. share/gromacs/top/gromos54a7.ff/aminoacids.r2b
  532. share/gromacs/top/gromos54a7.ff/aminoacids.rtp
  533. share/gromacs/top/gromos54a7.ff/aminoacids.vsd
  534. share/gromacs/top/gromos54a7.ff/atomtypes.atp
  535. share/gromacs/top/gromos54a7.ff/dppc.itp
  536. share/gromacs/top/gromos54a7.ff/ff_dum.itp
  537. share/gromacs/top/gromos54a7.ff/ffbonded.itp
  538. share/gromacs/top/gromos54a7.ff/ffnonbonded.itp
  539. share/gromacs/top/gromos54a7.ff/forcefield.doc
  540. share/gromacs/top/gromos54a7.ff/forcefield.itp
  541. share/gromacs/top/gromos54a7.ff/ions.itp
  542. share/gromacs/top/gromos54a7.ff/popc.itp
  543. share/gromacs/top/gromos54a7.ff/spc.itp
  544. share/gromacs/top/gromos54a7.ff/spce.itp
  545. share/gromacs/top/gromos54a7.ff/tip3p.itp
  546. share/gromacs/top/gromos54a7.ff/tip4p.itp
  547. share/gromacs/top/gromos54a7.ff/tmcl.itp
  548. share/gromacs/top/gromos54a7.ff/watermodels.dat
  549. share/gromacs/top/ha-shift.dat
  550. share/gromacs/top/ions.itp
  551. share/gromacs/top/nsfactor.dat
  552. share/gromacs/top/oplsaa.ff/1propanol.itp
  553. share/gromacs/top/oplsaa.ff/aminoacids.c.tdb
  554. share/gromacs/top/oplsaa.ff/aminoacids.hdb
  555. share/gromacs/top/oplsaa.ff/aminoacids.n.tdb
  556. share/gromacs/top/oplsaa.ff/aminoacids.r2b
  557. share/gromacs/top/oplsaa.ff/aminoacids.rtp
  558. share/gromacs/top/oplsaa.ff/aminoacids.vsd
  559. share/gromacs/top/oplsaa.ff/atomname2type.n2t
  560. share/gromacs/top/oplsaa.ff/atomtypes.atp
  561. share/gromacs/top/oplsaa.ff/ethanol.itp
  562. share/gromacs/top/oplsaa.ff/ffbonded.itp
  563. share/gromacs/top/oplsaa.ff/ffnonbonded.itp
  564. share/gromacs/top/oplsaa.ff/forcefield.doc
  565. share/gromacs/top/oplsaa.ff/forcefield.itp
  566. share/gromacs/top/oplsaa.ff/ions.itp
  567. share/gromacs/top/oplsaa.ff/methanol.itp
  568. share/gromacs/top/oplsaa.ff/spc.itp
  569. share/gromacs/top/oplsaa.ff/spce.itp
  570. share/gromacs/top/oplsaa.ff/tip3p.itp
  571. share/gromacs/top/oplsaa.ff/tip4p.itp
  572. share/gromacs/top/oplsaa.ff/tip4pew.itp
  573. share/gromacs/top/oplsaa.ff/tip5p.itp
  574. share/gromacs/top/oplsaa.ff/tip5pe.itp
  575. share/gromacs/top/oplsaa.ff/watermodels.dat
  576. share/gromacs/top/phbres.dat
  577. share/gromacs/top/ps.m2p
  578. share/gromacs/top/random.dat
  579. share/gromacs/top/refi_aa.dat
  580. share/gromacs/top/residues.dtd
  581. share/gromacs/top/residues.xml
  582. share/gromacs/top/residuetypes.dat
  583. share/gromacs/top/sfactor.dat
  584. share/gromacs/top/spc.itp
  585. share/gromacs/top/spc216.gro
  586. share/gromacs/top/spce.itp
  587. share/gromacs/top/specbond.dat
  588. share/gromacs/top/ss.map
  589. share/gromacs/top/surface.dat
  590. share/gromacs/top/sw.itp
  591. share/gromacs/top/table6-10.xvg
  592. share/gromacs/top/table6-11.xvg
  593. share/gromacs/top/table6-12.xvg
  594. share/gromacs/top/table6-8.xvg
  595. share/gromacs/top/table6-9.xvg
  596. share/gromacs/top/tip3p.itp
  597. share/gromacs/top/tip4p.gro
  598. share/gromacs/top/tip4p.itp
  599. share/gromacs/top/tip5p.gro
  600. share/gromacs/top/vdw-msms.dat
  601. share/gromacs/top/vdwradii.dat
  602. share/gromacs/top/xlateat.dat
  603. man/man1/gmx-anaeig.1.gz
  604. man/man1/gmx-analyze.1.gz
  605. man/man1/gmx-angle.1.gz
  606. man/man1/gmx-awh.1.gz
  607. man/man1/gmx-bar.1.gz
  608. man/man1/gmx-bundle.1.gz
  609. man/man1/gmx-check.1.gz
  610. man/man1/gmx-chi.1.gz
  611. man/man1/gmx-cluster.1.gz
  612. man/man1/gmx-clustsize.1.gz
  613. man/man1/gmx-confrms.1.gz
  614. man/man1/gmx-convert-tpr.1.gz
  615. man/man1/gmx-convert-trj.1.gz
  616. man/man1/gmx-covar.1.gz
  617. man/man1/gmx-current.1.gz
  618. man/man1/gmx-density.1.gz
  619. man/man1/gmx-densmap.1.gz
  620. man/man1/gmx-densorder.1.gz
  621. man/man1/gmx-dielectric.1.gz
  622. man/man1/gmx-dipoles.1.gz
  623. man/man1/gmx-disre.1.gz
  624. man/man1/gmx-distance.1.gz
  625. man/man1/gmx-do_dssp.1.gz
  626. man/man1/gmx-dos.1.gz
  627. man/man1/gmx-dump.1.gz
  628. man/man1/gmx-dyecoupl.1.gz
  629. man/man1/gmx-editconf.1.gz
  630. man/man1/gmx-eneconv.1.gz
  631. man/man1/gmx-enemat.1.gz
  632. man/man1/gmx-energy.1.gz
  633. man/man1/gmx-extract-cluster.1.gz
  634. man/man1/gmx-filter.1.gz
  635. man/man1/gmx-freevolume.1.gz
  636. man/man1/gmx-gangle.1.gz
  637. man/man1/gmx-genconf.1.gz
  638. man/man1/gmx-genion.1.gz
  639. man/man1/gmx-genrestr.1.gz
  640. man/man1/gmx-grompp.1.gz
  641. man/man1/gmx-gyrate.1.gz
  642. man/man1/gmx-h2order.1.gz
  643. man/man1/gmx-hbond.1.gz
  644. man/man1/gmx-helix.1.gz
  645. man/man1/gmx-helixorient.1.gz
  646. man/man1/gmx-help.1.gz
  647. man/man1/gmx-hydorder.1.gz
  648. man/man1/gmx-insert-molecules.1.gz
  649. man/man1/gmx-lie.1.gz
  650. man/man1/gmx-make_edi.1.gz
  651. man/man1/gmx-make_ndx.1.gz
  652. man/man1/gmx-mdmat.1.gz
  653. man/man1/gmx-mdrun.1.gz
  654. man/man1/gmx-mindist.1.gz
  655. man/man1/gmx-mk_angndx.1.gz
  656. man/man1/gmx-msd.1.gz
  657. man/man1/gmx-nmeig.1.gz
  658. man/man1/gmx-nmens.1.gz
  659. man/man1/gmx-nmr.1.gz
  660. man/man1/gmx-nmtraj.1.gz
  661. man/man1/gmx-nonbonded-benchmark.1.gz
  662. man/man1/gmx-order.1.gz
  663. man/man1/gmx-pairdist.1.gz
  664. man/man1/gmx-pdb2gmx.1.gz
  665. man/man1/gmx-pme_error.1.gz
  666. man/man1/gmx-polystat.1.gz
  667. man/man1/gmx-potential.1.gz
  668. man/man1/gmx-principal.1.gz
  669. man/man1/gmx-rama.1.gz
  670. man/man1/gmx-rdf.1.gz
  671. man/man1/gmx-report-methods.1.gz
  672. man/man1/gmx-rms.1.gz
  673. man/man1/gmx-rmsdist.1.gz
  674. man/man1/gmx-rmsf.1.gz
  675. man/man1/gmx-rotacf.1.gz
  676. man/man1/gmx-rotmat.1.gz
  677. man/man1/gmx-saltbr.1.gz
  678. man/man1/gmx-sans.1.gz
  679. man/man1/gmx-sasa.1.gz
  680. man/man1/gmx-saxs.1.gz
  681. man/man1/gmx-select.1.gz
  682. man/man1/gmx-sham.1.gz
  683. man/man1/gmx-sigeps.1.gz
  684. man/man1/gmx-solvate.1.gz
  685. man/man1/gmx-sorient.1.gz
  686. man/man1/gmx-spatial.1.gz
  687. man/man1/gmx-spol.1.gz
  688. man/man1/gmx-tcaf.1.gz
  689. man/man1/gmx-traj.1.gz
  690. man/man1/gmx-trajectory.1.gz
  691. man/man1/gmx-trjcat.1.gz
  692. man/man1/gmx-trjconv.1.gz
  693. man/man1/gmx-trjorder.1.gz
  694. man/man1/gmx-tune_pme.1.gz
  695. man/man1/gmx-vanhove.1.gz
  696. man/man1/gmx-velacc.1.gz
  697. man/man1/gmx-view.1.gz
  698. man/man1/gmx-wham.1.gz
  699. man/man1/gmx-wheel.1.gz
  700. man/man1/gmx-x2top.1.gz
  701. man/man1/gmx-xpm2ps.1.gz
  702. man/man1/gmx.1.gz
  703. @owner
  704. @group
  705. @mode
Collapse this list.
Dependency lines:
  • For RUN/BUILD depends:
    • gromacs>0:science/gromacs
  • For LIB depends:
    • libgmxapi_d.so:science/gromacs
    • libgromacs_d.so:science/gromacs
    • libnblib.so:science/gromacs
To install the port: cd /usr/ports/science/gromacs/ && make install clean
To add the package: pkg install gromacs
PKGNAME: gromacs
Flavors: there is no flavor information for this port.
distinfo:
Packages: (move your mouse over the cells for more information)
gromacs
ABIlatestquarterly
FreeBSD:11:aarch642018.3_12020.2
FreeBSD:11:amd642021.12020.4_2
FreeBSD:11:armv65.0.62020.2
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch642018.3_12021.1
FreeBSD:12:amd642021.12020.4_2
FreeBSD:12:armv62018.3_12020.3
FreeBSD:12:armv72018.3_12020.3
FreeBSD:12:i386--
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64-2020.4_2
FreeBSD:13:aarch642020.52020.4_2
FreeBSD:13:amd642021.12020.4_2
FreeBSD:13:armv62020.5-
FreeBSD:13:armv72020.52020.4_2
FreeBSD:13:i386--
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc642020.4_22020.4_2
FreeBSD:14:aarch642021.1-
FreeBSD:14:amd642021.1-
FreeBSD:14:armv6--
FreeBSD:14:armv72021.1-
FreeBSD:14:i386--
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc642021.1-
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. boost-libs>=1.44 : devel/boost-libs
  2. cmake : devel/cmake
  3. gfortran10 : lang/gcc10
  4. pkgconf>=1.3.0_1 : devel/pkgconf
  5. as : devel/binutils
  6. perl5>=5.32.r0<5.33 : lang/perl5.32
  7. ice.pc : x11/libICE
  8. sm.pc : x11/libSM
  9. xext.pc : x11/libXext
  10. x11.pc : x11/libX11
Runtime dependencies:
  1. gfortran10 : lang/gcc10
  2. perl5>=5.32.r0<5.33 : lang/perl5.32
  3. ice.pc : x11/libICE
  4. sm.pc : x11/libSM
  5. xext.pc : x11/libXext
  6. x11.pc : x11/libX11
Library dependencies:
  1. libhwloc.so : devel/hwloc2
  2. libfftw3.so : math/fftw3
  3. libxml2.so : textproc/libxml2
  4. libblas.so : math/blas
  5. liblapack.so : math/lapack
This port is required by:
for Libraries
  1. science/votca

Configuration Options

USES:

Master Sites:
Expand this list (1 items)
Collapse this list.
  1. ftp://ftp.gromacs.org/pub/gromacs/
Collapse this list.

Number of commits found: 124 (showing only 100 on this page)

1 | 2  »  

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
09 Mar 2021 05:11:29
Original commit files touched by this commit  2021.1
Revision:567890
yuri search for other commits by this committer
science/gromacs: Update 2021 -> 2021.1
18 Feb 2021 20:43:09
Original commit files touched by this commit  2021
Revision:565980
yuri search for other commits by this committer
science/gromacs: Update 2020.5 -> 2021
09 Jan 2021 10:33:49
Original commit files touched by this commit  2020.5
Revision:560845
yuri search for other commits by this committer
science/gromacs: Update 2020.4 -> 2020.5

Reported by:	portscout
08 Jan 2021 20:44:02
Original commit files touched by this commit  2020.4_2
Revision:560810
jwb search for other commits by this committer
science/gromacs: Upgrade hwloc dep to hwloc2

hwloc2 conflicts with hwloc, so updating all dependents ASAP.

PR:             252526
Submitted by:   jwb
Approved by:    yuri
18 Dec 2020 05:40:05
Original commit files touched by this commit  2020.4_2
Revision:558350
yuri search for other commits by this committer
science/gromacs: Turn the option FLOAT to OFF by default

This is because FLOAT=ON reduces fp accuracy, this probably shouldn't be the
default.
Also because its only user in the ports tree, science/votca, needs double fp
precision.
18 Dec 2020 01:21:01
Original commit files touched by this commit  2020.4_1
Revision:558341
yuri search for other commits by this committer
science/gromacs: Add the LEGACY option that installs legacy API needed by some
users
12 Oct 2020 00:52:42
Original commit files touched by this commit  2020.4
Revision:552085
yuri search for other commits by this committer
science/gromacs: Update 2020.3 -> 2020.4

Reported by:	portscout
16 Jul 2020 06:32:45
Original commit files touched by this commit  2020.3
Revision:542327
yuri search for other commits by this committer
science/gromacs: Update 2020.2 -> 2020.3

Reported by:	portscout
05 May 2020 01:20:19
Original commit files touched by this commit  2020.2
Revision:534005
yuri search for other commits by this committer
science/gromacs: Fix plist when MPI=on
01 May 2020 06:27:58
Original commit files touched by this commit  2020.2
Revision:533514
yuri search for other commits by this committer
science/gromacs: Update 2020.1 -> 2020.2

Reported by:	portscout
19 Apr 2020 09:49:02
Original commit files touched by this commit  2020.1_3
Revision:532095
danilo search for other commits by this committer
- Update net/openmpi to 4.0.3 (openmpi 1 is deprecated)
- Remove option for net/openmpi2 from science/pnetcdf (net/openmpi2 is
deprecated and will be removed)
- Fix science/gromacs plist when MPI option is enabled
- Bump PORTREVISION for all the consumers of net/openmpi
31 Mar 2020 16:15:17
Original commit files touched by this commit  2020.1_2
Revision:529986
rene search for other commits by this committer
Clean up ports after FreeBSD 12.0 reached end-of-life.

emulators/mesen is left out for now, as it breaks on 11.3

Submitted by:	rene
Reviewed by:	jbeich, zeising
X-Differential Revision:	https://reviews.freebsd.org/D24211
08 Mar 2020 21:56:37
Original commit files touched by this commit  2020.1_1
Revision:528082
jbeich search for other commits by this committer
Drop dependency on devel/openmp

- Drop if devel/llvm* was used as a substitute

Approved by:	yuri, rene (earlier version)
Differential Revision:	https://reviews.freebsd.org/D23020
04 Mar 2020 15:53:04
Original commit files touched by this commit  2020.1
Revision:527766
yuri search for other commits by this committer
science/gromacs: Update 2020 -> 2020.1

Reported by:	portscout
05 Feb 2020 17:35:05
Original commit files touched by this commit  2020_1
Revision:525285
antoine search for other commits by this committer
Don't both set compiler + USES=compiler
05 Feb 2020 15:52:42
Original commit files touched by this commit  2020_1
Revision:525280
yuri search for other commits by this committer
science/gromacs: Fix build on systems with older clang (clang-6)

Reported by:	fallout
30 Jan 2020 14:17:44
Original commit files touched by this commit  2020_1
Revision:524642
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
30 Jan 2020 09:49:50
Original commit files touched by this commit  2020
Revision:524639
yuri search for other commits by this committer
science/gromacs: Change compiler requirement to c++14 along the flags that the
project supplies.

Reported by:	fallout
12 Jan 2020 01:13:06
Original commit files touched by this commit  2020
Revision:522739
yuri search for other commits by this committer
science/gromacs: Update 2019.5 -> 2020

Reported by:	repology
24 Dec 2019 07:45:13
Original commit files touched by this commit  2019.5
Revision:520781
yuri search for other commits by this committer
science/gromacs: Update 2019.4 -> 2019.5

Reported by:	portscout
11 Dec 2019 17:53:49
Original commit files touched by this commit  2019.4_1
Revision:519824
jbeich search for other commits by this committer
devel/boost-*: update to 1.72.0

Changes:	http://www.boost.org/users/history/version_1_72_0.html
PR:		241449
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D22136
05 Oct 2019 22:57:39
Original commit files touched by this commit  2019.4
Revision:513855
yuri search for other commits by this committer
science/gromacs: Update 2019.3 -> 2019.4

Reported by:	portscout
21 Sep 2019 18:59:57
Original commit files touched by this commit  2019.3_3
Revision:512535
jbeich search for other commits by this committer
devel/openmp: update to 9.0.0

- Connect tests to the framework to help QA remaining patches
- Force rebuild all consumers after https://reviews.llvm.org/D59783

Changes:	http://llvm.org/viewvc/llvm-project/openmp/tags/RELEASE_900/final/?view=log
ABI:		https://abi-laboratory.pro/tracker/timeline/llvm_openmp/
19 Aug 2019 15:35:28
Original commit files touched by this commit  2019.3_2
Revision:509290
jbeich search for other commits by this committer
devel/boost-*: update to 1.71.0

Changes:	http://www.boost.org/users/history/version_1_71_0.html
PR:		238827
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D20774
26 Jul 2019 20:46:57
Original commit files touched by this commit  2019.3_1
Revision:507372
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
15 Jun 2019 19:35:27
Original commit files touched by this commit  2019.3
Revision:504264
yuri search for other commits by this committer
science/gromacs: Update 2019.2 -> 2019.3

Reported by:	portscout
08 May 2019 16:05:53
Original commit files touched by this commit  2019.2_2
Revision:501030
jbeich search for other commits by this committer
devel/openmp: phase out

- Expire after the last version without /usr/lib/libomp.so
- Drop SOVERSION for seamless transition (i.e., avoid conditionals)

PR:		236907
Approved by:	bapt (maintainer)
Differential Revision:	https://reviews.freebsd.org/D19767
28 Apr 2019 08:30:15
Original commit files touched by this commit  2019.2_1
Revision:500294
yuri search for other commits by this committer
science/gromacs: Broken on i386

Reported by:	fallout
22 Apr 2019 13:16:34
Original commit files touched by this commit  2019.2_1
Revision:499638
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
20 Apr 2019 15:47:28
Original commit files touched by this commit  2019.2
Revision:499453
yuri search for other commits by this committer
science/gromacs: Update 2019.1 -> 2019.2

Reported by:	portscout
12 Apr 2019 06:36:31
Original commit files touched by this commit  2019.1_1
Revision:498698
jbeich search for other commits by this committer
devel/boost-*: update to 1.70.0

Changes:	http://www.boost.org/users/history/version_1_70_0.html
PR:		235956
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D19303
17 Feb 2019 02:32:08
Original commit files touched by this commit  2019.1
Revision:493145
yuri search for other commits by this committer
science/gromacs: Update 2019 -> 2019.1

Reported by:	portscout
22 Jan 2019 02:02:15
Original commit files touched by this commit  2019
Revision:490922
yuri search for other commits by this committer
science/gromacs: Update 2018.4 -> 2019

Reported by:	repology
25 Dec 2018 20:25:40
Original commit files touched by this commit  2018.4_2
Revision:488341
tcberner search for other commits by this committer
Change cmake default behaviour to outsource.

Ports that build out of source now simply can use "USES=cmake"
instead of "USES=cmake:outsource". Ports that fail to build
out of source now need to specify "USES=cmake:insource".

I tried to only set insource where explictely needed.

PR:		232038
Exp-run by:	antoine
12 Dec 2018 01:35:36
Original commit files touched by this commit  2018.4_2
Revision:487272
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
12 Dec 2018 00:15:50
Original commit files touched by this commit  2018.4_1
Revision:487266
jbeich search for other commits by this committer
devel/boost-*: update to 1.69.0

Changes:	http://www.boost.org/users/history/version_1_69_0.html
PR:		232525
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D17645
15 Nov 2018 02:22:10
Original commit files touched by this commit  2018.4
Revision:484990
yuri search for other commits by this committer
science/gromacs: Update 2018.3 -> 2018.4

Reported by:	portscout
05 Nov 2018 23:51:03
Original commit files touched by this commit  2018.3_1
Revision:484261
linimon search for other commits by this committer
Add compiler:c++11-lang to USES to fix build on gcc-based archs.

Approved by:	portmgr (tier-2 blanket)
22 Sep 2018 16:36:38
Original commit files touched by this commit  2018.3_1
Revision:480395
yuri search for other commits by this committer
Change 20 ports from net/mpich2 to net/mpich

mpich2 is the obsolete version 2.x, mpich is at the current version 3.x

Ports:
math/scalapack science/nwchem science/quantum-espresso science/qmcpack
science/madness
science/qbox science/openmx science/jdftx science/fleur science/libgridxc
science/mdynamix science/lm science/dftbplus science/py-gpaw devel/ga
math/elpa net/charm science/gromacs math/pari math/arpack-ng-mpich
24 Aug 2018 17:52:09
Original commit files touched by this commit  2018.3
Revision:477971
yuri search for other commits by this committer
science/gromacs: Update 2018.2 -> 2018.3

Reported by:	portscout
09 Aug 2018 06:58:31
Original commit files touched by this commit  2018.2_3
Revision:476723
jbeich search for other commits by this committer
devel/boost-*: update to 1.68.0

- Switch to C++14 for libboost_system to support C++14 consumers

Changes:	http://www.boost.org/users/history/version_1_68_0.html
PR:		229569
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D16165
29 Jul 2018 22:18:46
Original commit files touched by this commit  2018.2_2
Revision:475857
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
16 Jun 2018 21:07:11
Original commit files touched by this commit  2018.2_1
Revision:472566
yuri search for other commits by this committer
science/gromacs: Chase the changed tarball

The upstream "rerelased" 2018.2, so updating the port.

Reported by:	fallout
14 Jun 2018 08:17:41
Original commit files touched by this commit  2018.2
Revision:472367
yuri search for other commits by this committer
science/gromacs: Update 2018.1 -> 2018.2

Reported by:	portscout
19 Apr 2018 08:04:10
Original commit files touched by this commit  2018.1
Revision:467753
yuri search for other commits by this committer
science/gromacs: Update 5.0.6 -> 2018.1

Port changes:
* Take maintainership.
* Modernize the port, now using option helpers.
* Add the OPENCL option.
* Add the THREAD_MPI option that is now the default multiprocessing option.
* Add missing dependencies.
18 Apr 2018 13:57:43
Original commit files touched by this commit  5.0.6_12
Revision:467711
jbeich search for other commits by this committer
devel/boost-*: update to 1.67.0

Changes:	http://www.boost.org/users/history/version_1_67_0.html
PR:		227427
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D15030
10 Mar 2018 17:46:06
Original commit files touched by this commit  5.0.6_11
Revision:464084
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).
18 Jan 2018 04:11:03
Original commit files touched by this commit  5.0.6_10
Revision:459315
jbeich search for other commits by this committer
devel/boost-*: update to 1.66.0

Changes:	http://www.boost.org/users/history/version_1_66_0.html
PR:		223922
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D13279
25 Sep 2017 00:08:17
Original commit files touched by this commit  5.0.6_9
Revision:450560
jbeich search for other commits by this committer
devel/boost-*: update to 1.65.1

Changes:	http://www.boost.org/users/history/version_1_65_1.html
PR:		218835
Approved by:	maintainer timeout (1.65.1: 2 weeks; 1.65.0: 1 month)
Tested by:	jhibbits (on powerpc64, earlier version)
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D11582
25 Sep 2017 00:05:06
Original commit files touched by this commit  5.0.6_8
Revision:450557
jbeich search for other commits by this committer
devel/boost-*: enable C++11 features

PR:		218835
Obtained from:	https://github.com/DragonFlyBSD/DeltaPorts/pull/690
Approved by:	maintainer timeout (2 months)
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D11582
10 Sep 2017 20:55:39
Original commit files touched by this commit  5.0.6_7
Revision:449591
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
02 May 2017 06:48:11
Original commit files touched by this commit  5.0.6_6
Revision:439934
jbeich search for other commits by this committer
devel/boost-*: update to 1.64.0

Changes:	http://www.boost.org/users/history/version_1_64_0.html
PR:		218835
Approved by:	office (bapt)
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D10472
01 Apr 2017 15:23:32
Original commit files touched by this commit  5.0.6_5
Revision:437439
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
06 Jan 2017 08:45:04
Original commit files touched by this commit  5.0.6_4
Revision:430692
jbeich search for other commits by this committer
devel/boost-*: update to 1.63.0

Changes:	http://www.boost.org/users/history/version_1_63_0.html
PR:		215598
Exp-run by:	antoine
Approved by:	office (bapt)
MFH:		2017Q1
26 Dec 2016 11:59:12
Original commit files touched by this commit  5.0.6_3
Revision:429499
rene search for other commits by this committer
Reset ports per maintainer request.

PR:		215557
Submitted by:	A.J. "Fonz" van Werven (maintainer)
07 Dec 2016 13:24:57
Original commit files touched by this commit  5.0.6_3
Revision:428057
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
23 Nov 2016 12:45:47
Original commit files touched by this commit  5.0.6_2
Revision:426908
jbeich search for other commits by this committer
devel/boost-*: update to 1.62.0

- Enable `long double` C99 math usage
- Switch 9.x back to building with GCC

Changes:	http://www.boost.org/users/history/
PR:		199601
Submitted by:	Chen Xu, bapt, amdmi3, truckman (based on)
Reviewed by:	rakuco (kde) (earlier version)
Exp-run by:	antoine (3 tries), truckman (consumers only, earlier versions)
Approved by:	bapt (office)
20 Nov 2016 09:38:09
Original commit files touched by this commit  5.0.6_1
Revision:426566
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).

In particular that is 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.
01 Apr 2016 14:25:18
Original commit files touched by this commit  5.0.6
Revision:412349
mat search for other commits by this committer
Remove ${PORTSDIR}/ from dependencies, categories r, s, t, and u.

With hat:	portmgr
Sponsored by:	Absolight
16 Aug 2015 21:31:42
Original commit files touched by this commit  5.0.6
Revision:394419
amdmi3 search for other commits by this committer
- Update to 5.0.6
- Pass maintainership to submitter
- Add distfile mirror

PR:		201921
Submitted by:	freebsd@skysmurf.nl
19 May 2015 01:59:50
Original commit files touched by this commit  5.0.5
Revision:386731
wen search for other commits by this committer
- Update to 5.0.5

PR:		200306
Submitted by:	tkato432@yahoo.com
17 Feb 2015 01:46:25
Original commit files touched by this commit  5.0.4
Revision:379134
vanilla search for other commits by this committer
Upgrade to 5.0.4.

PR:		197454
Submitted by:	Ports Fury.
03 Feb 2015 15:09:57
Original commit files touched by this commit  5.0.2_1
Revision:378358
thierry search for other commits by this committer
Uses blaslapack.
26 Dec 2014 14:24:13
Original commit files touched by this commit  5.0.2_1
Revision:375624
danilo search for other commits by this committer
- Update net/openmpi to 1.8.4
30 Oct 2014 12:19:02
Original commit files touched by this commit  5.0.2
Revision:371747
wen search for other commits by this committer
- Update to 5.0.2

PR:		193902
Submitted by:	tkato432@yahoo.com
20 Oct 2014 13:09:42
Original commit files touched by this commit  5.0_5
Revision:371267
marino search for other commits by this committer
science/gromacs: Fix build on DragonFly (fix from dports)
28 Sep 2014 03:41:25
Original commit files touched by this commit  5.0_5
Revision:369434
danilo search for other commits by this committer
- Update net/openmpi from 1.8.2 to 1.8.3
10 Sep 2014 20:50:37
Original commit files touched by this commit  5.0_4
Revision:367888
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)
01 Sep 2014 21:50:15
Original commit files touched by this commit  5.0_3
Revision:366964
thierry search for other commits by this committer
- Upgrade to 1.5;

- Bump PORTREVISION for consumers.
31 Aug 2014 16:36:23
Original commit files touched by this commit  5.0_2
Revision:366788
tijl search for other commits by this committer
math/fftw3:
- Add USES=libtool and bump dependent ports
- Add INSTALL_TARGET=install-strip
- Remove PTHREAD_CFLAGS and PTHREAD_LIBS
- Use MAKE_CMD
26 Aug 2014 19:55:00
Original commit files touched by this commit  5.0_1
Revision:366262
thierry search for other commits by this committer
Chase the upgrade of net/mpich2.

Approved by:	portmgr (non staged ports)
10 Aug 2014 00:03:09
Original commit files touched by this commit  5.0
Revision:364488
marino search for other commits by this committer
science/gromacs: Upgrade version 4.6.5 => 5.0

PR:		191826
Submitted by:	Ports Fury
14 Jul 2014 16:51:45
Original commit files touched by this commit  4.6.5_3
Revision:361800
tijl search for other commits by this committer
- Convert net/openmpi to USES=libtool and bump dependent ports
- Add INSTALL_TARGET=install-strip
- Use BROKEN_sparc64

Approved by:	portmgr (implicit, bump unstaged port)
06 Jul 2014 09:09:15
Original commit files touched by this commit  4.6.5_2
Revision:360865
marino search for other commits by this committer
science/gromacs: Add DragonFly support (dports)
10 Mar 2014 20:55:22
Original commit files touched by this commit  4.6.5_2
Revision:347809
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)
27 Dec 2013 16:39:53
Original commit files touched by this commit  4.6.5_1
Revision:337747
tijl search for other commits by this committer
- USES=fortran.
- Fix detection of dlopen(3) to support plugins from science/vmd.
17 Dec 2013 20:36:38
Original commit files touched by this commit  4.6.5
Revision:336762
danilo search for other commits by this committer
- Update from 4.6.4 to 4.6.5 [1]
- Convert some "if's" in options helpers

PR:		ports/184903
Submitted by:	KATO Tsuguru <tkato432@yahoo.com> [1]
26 Nov 2013 17:45:42
Original commit files touched by this commit  4.6.4
Revision:334960
wg search for other commits by this committer
science/gromacs: Update to version 4.6.4

- Update to version 4.6.4
- Allow staging

PR:		ports/184224
Submitted by:	KATO Tsuguru <tkato432 yahoo.com>
26 Oct 2013 00:52:36
Original commit files touched by this commit  4.6.3_2
Revision:331644
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)
20 Sep 2013 22:48:31
Original commit files touched by this commit  4.6.3_1
Revision:327767
bapt search for other commits by this committer
Add NO_STAGE all over the place in preparation for the staging support (cat:
science)
26 Aug 2013 16:06:38
Original commit files touched by this commit  4.6.3_1
Revision:325401
bf search for other commits by this committer
Update math/gsl to 1.16 and adjust some dependent ports
14 Aug 2013 22:35:54
Original commit files touched by this commit  4.6.3
Revision:324744  Sanity Test Failure
ak search for other commits by this committer
- Remove MAKE_JOBS_SAFE variable

Approved by:	portmgr (bdrewery)
03 Aug 2013 08:45:52
Original commit files touched by this commit  4.6.3
Revision:324181
az search for other commits by this committer
- Convert to new perl framework
- Trim Makefile header
15 Jul 2013 14:38:37
Original commit files touched by this commit  4.6.3
Revision:323034
miwi search for other commits by this committer
- Update to 4.6.3

PR:		180503
Submitted by:	Ports Fury
04 Jun 2013 08:19:33
Original commit files touched by this commit  4.6.2
Revision:319827
miwi search for other commits by this committer
- Update to 4.6.2

PR:		179208
Submitted by:	Ports Fury
23 Apr 2013 14:20:28
Original commit files touched by this commit  4.6.1
Revision:316355
bapt search for other commits by this committer
Finish converting the whole ports tree to USES=pkgconfig
24 Mar 2013 16:27:23
Original commit files touched by this commit  4.6.1
Revision:315145
miwi search for other commits by this committer
- Update to 4.6.1

PR:		177243
Submitted by:	ports fury
22 Mar 2013 20:06:15
Original commit files touched by this commit  4.6
Revision:314960
makc search for other commits by this committer
- convert USE_CMAKE to USES
- while here clean up some ports from CMAKE_VERBOSE, which is intended
  for users

Approved by:	portmgr (miwi)
10 Feb 2013 07:56:49
Original commit files touched by this commit  4.6
Revision:312002
miwi search for other commits by this committer
- Update to 4.6

PR:		175589
Submitted by:	Ports Fury
06 Oct 2012 20:50:12
Original commit files touched by this commit  4.5.5_1
Revision:305402
flo search for other commits by this committer
- convert to optionsNG
- trim headers
- drop maintainership
17 Oct 2011 10:08:33
Original commit files touched by this commit  4.5.5_1

bf search for other commits by this committer
- update fftw3* to 3.3 [1], and adjust dependent ports
- make use of optimizations by default, where possible
(quad flavor to follow shortly, and mpi at a later date)

Suggestions and patches from:   ache, C. Burns, wen
02 Oct 2011 08:37:42
Original commit files touched by this commit  4.5.5

flo search for other commits by this committer
fix distinfo, the distfile was rerolled. Nothing major, mostly spelling fixes.

Reported by:    pav, erwin
23 Sep 2011 22:26:39
Original commit files touched by this commit  4.5.5

amdmi3 search for other commits by this committer
- Add LDFLAGS to CONFIGURE_ENV and MAKE_ENV (as it was done with LDFLAGS)
- Fix all ports that add {CPP,LD}FLAGS to *_ENV to modify flags instead

PR:             157936
Submitted by:   myself
Exp-runs by:    pav
Approved by:    pav
20 Sep 2011 15:46:47
Original commit files touched by this commit  4.5.5

flo search for other commits by this committer
- update to 4.5.5
- drop FreeBSD 6.x support
09 May 2011 16:42:28
Original commit files touched by this commit  4.5.4_1

bf search for other commits by this committer
Update math/gsl to 1.15, and adjust PORTREVISION
and LIB_DEPENDS of dependent ports
09 Apr 2011 13:25:13
Original commit files touched by this commit  4.5.4

flo search for other commits by this committer
- update to 4.5.4

PR:             ports/156214
Submitted by:   "Peter C. Lai" <cowbert@gmail.com>
27 Dec 2010 22:02:09
Original commit files touched by this commit  4.5.3

flo search for other commits by this committer
- change MAINTAINER to my @FreeBSD.org address

Approved by: jadawin (mentor)
04 Dec 2010 07:34:27
Original commit files touched by this commit  4.5.3

ade search for other commits by this committer
Sync to new bsd.autotools.mk
18 Nov 2010 15:33:39
Original commit files touched by this commit  4.5.3

pav search for other commits by this committer
- Update to 4.5.3

PR:             ports/151888
Submitted by:   Florian Smeets <flo@smeets.im> (maintainer)
22 Sep 2010 21:21:25
Original commit files touched by this commit  4.0.7_1

pgollucci search for other commits by this committer
- Update maintainer email address flo@kasimir.com -> flo@smeets.im

PR:             ports/150855
Submitted by:   maintainer

Number of commits found: 124 (showing only 100 on this page)

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