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Port details
gromacs Compute molecular dynamics
2023.2_2 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 2023.2_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: 2024-01-01 11:49:51
Commit Hash: f2489ab
License: LGPL21
WWW:
https://www.gromacs.org/
Description:
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (734 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/gromacs-2023.2_2/catalog.mk
  3. /usr/local/share/licenses/gromacs-2023.2_2/LICENSE
  4. /usr/local/share/licenses/gromacs-2023.2_2/LGPL21
  5. bin/GMXRC
  6. bin/GMXRC.bash
  7. bin/GMXRC.csh
  8. bin/GMXRC.zsh
  9. bin/demux.pl
  10. bin/gmx-completion-gmx_d.bash
  11. bin/gmx-completion.bash
  12. bin/gmx_d
  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/abstractdata.h
  32. include/gromacs/analysisdata/analysisdata.h
  33. include/gromacs/analysisdata/arraydata.h
  34. include/gromacs/analysisdata/dataframe.h
  35. include/gromacs/analysisdata/datamodule.h
  36. include/gromacs/analysisdata/modules/average.h
  37. include/gromacs/analysisdata/modules/displacement.h
  38. include/gromacs/analysisdata/modules/histogram.h
  39. include/gromacs/analysisdata/modules/lifetime.h
  40. include/gromacs/analysisdata/modules/plot.h
  41. include/gromacs/external/boost/stl_interfaces/fwd.hpp
  42. include/gromacs/external/boost/stl_interfaces/iterator_interface.hpp
  43. include/gromacs/fileio/confio.h
  44. include/gromacs/fileio/filetypes.h
  45. include/gromacs/fileio/oenv.h
  46. include/gromacs/fileio/pdbio.h
  47. include/gromacs/fileio/tpxio.h
  48. include/gromacs/fileio/trxio.h
  49. include/gromacs/libgromacs_export.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/abstractoption.h
  60. include/gromacs/options/basicoptions.h
  61. include/gromacs/options/filenameoption.h
  62. include/gromacs/options/filenameoptionmanager.h
  63. include/gromacs/options/ioptionsbehavior.h
  64. include/gromacs/options/ioptionscontainer.h
  65. include/gromacs/options/ioptionscontainerwithsections.h
  66. include/gromacs/options/ivaluestore.h
  67. include/gromacs/options/optionfiletype.h
  68. include/gromacs/options/optionflags.h
  69. include/gromacs/options/options.h
  70. include/gromacs/options/timeunitmanager.h
  71. include/gromacs/pbcutil/pbc.h
  72. include/gromacs/restraint/restraintpotential.h
  73. include/gromacs/selection/indexutil.h
  74. include/gromacs/selection/nbsearch.h
  75. include/gromacs/selection/position.h
  76. include/gromacs/selection/selection.h
  77. include/gromacs/selection/selectioncollection.h
  78. include/gromacs/selection/selectionenums.h
  79. include/gromacs/selection/selectionoption.h
  80. include/gromacs/selection/selectionoptionbehavior.h
  81. include/gromacs/selection/selectionoptionmanager.h
  82. include/gromacs/topology/atomprop.h
  83. include/gromacs/topology/atoms.h
  84. include/gromacs/topology/block.h
  85. include/gromacs/topology/forcefieldparameters.h
  86. include/gromacs/topology/idef.h
  87. include/gromacs/topology/ifunc.h
  88. include/gromacs/topology/index.h
  89. include/gromacs/topology/symtab.h
  90. include/gromacs/topology/topology.h
  91. include/gromacs/topology/topology_enums.h
  92. include/gromacs/trajectory/trajectoryframe.h
  93. include/gromacs/trajectoryanalysis/analysismodule.h
  94. include/gromacs/trajectoryanalysis/analysissettings.h
  95. include/gromacs/trajectoryanalysis/cmdlinerunner.h
  96. include/gromacs/trajectoryanalysis/topologyinformation.h
  97. include/gromacs/utility/arrayref.h
  98. include/gromacs/utility/basedefinitions.h
  99. include/gromacs/utility/baseversion.h
  100. include/gromacs/utility/classhelpers.h
  101. include/gromacs/utility/current_function.h
  102. include/gromacs/utility/enumerationhelpers.h
  103. include/gromacs/utility/exceptions.h
  104. include/gromacs/utility/fileptr.h
  105. include/gromacs/utility/flags.h
  106. include/gromacs/utility/futil.h
  107. include/gromacs/utility/gmxassert.h
  108. include/gromacs/utility/listoflists.h
  109. include/gromacs/utility/pleasecite.h
  110. include/gromacs/utility/programcontext.h
  111. include/gromacs/utility/range.h
  112. include/gromacs/utility/real.h
  113. include/gromacs/utility/smalloc.h
  114. include/gromacs/utility/stringutil.h
  115. include/gromacs/utility/unique_cptr.h
  116. include/gromacs/version.h
  117. include/muParser.h
  118. include/muParserBase.h
  119. include/muParserBytecode.h
  120. include/muParserCallback.h
  121. include/muParserDLL.h
  122. include/muParserDef.h
  123. include/muParserError.h
  124. include/muParserFixes.h
  125. include/muParserInt.h
  126. include/muParserTemplateMagic.h
  127. include/muParserTest.h
  128. include/muParserToken.h
  129. include/muParserTokenReader.h
  130. include/nblib/basicdefinitions.h
  131. include/nblib/box.h
  132. include/nblib/exception.h
  133. include/nblib/gmxcalculatorcpu.h
  134. include/nblib/integrator.h
  135. include/nblib/interactions.h
  136. include/nblib/kerneloptions.h
  137. include/nblib/listed_forces/bondtypes.h
  138. include/nblib/listed_forces/calculator.h
  139. include/nblib/listed_forces/definitions.h
  140. include/nblib/molecules.h
  141. include/nblib/nblib.h
  142. include/nblib/nbnxmsetuphelpers.h
  143. include/nblib/particlesequencer.h
  144. include/nblib/particletype.h
  145. include/nblib/simulationstate.h
  146. include/nblib/topology.h
  147. include/nblib/tpr.h
  148. include/nblib/util/setup.h
  149. include/nblib/util/traits.hpp
  150. include/nblib/util/util.hpp
  151. include/nblib/vector.h
  152. lib/cmake/muparser/muparser-targets-release.cmake
  153. lib/cmake/muparser/muparser-targets.cmake
  154. lib/cmake/muparser/muparserConfig.cmake
  155. lib/cmake/muparser/muparserConfigVersion.cmake
  156. lib/libgmxapi_d.so
  157. lib/libgmxapi_d.so.0
  158. lib/libgmxapi_d.so.0.4.0
  159. lib/libgromacs_d.so
  160. lib/libgromacs_d.so.8
  161. lib/libgromacs_d.so.8.0.0
  162. lib/libmuparser.so
  163. lib/libmuparser.so.2
  164. lib/libmuparser.so.2.3.4
  165. lib/libnblib_gmx.so
  166. lib/libnblib_gmx.so.0
  167. lib/libnblib_gmx.so.0.1.0
  168. libdata/pkgconfig/libgromacs_d.pc
  169. libdata/pkgconfig/muparser.pc
  170. share/cmake/gmxapi/gmxapi-config-version.cmake
  171. share/cmake/gmxapi/gmxapi-config.cmake
  172. share/cmake/gmxapi/gmxapi-release.cmake
  173. share/cmake/gmxapi/gmxapi.cmake
  174. share/cmake/gromacs_d/gromacs-hints_d.cmake
  175. share/cmake/gromacs_d/gromacs_d-config-version.cmake
  176. share/cmake/gromacs_d/gromacs_d-config.cmake
  177. share/cmake/gromacs_d/libgromacs-release.cmake
  178. share/cmake/gromacs_d/libgromacs.cmake
  179. share/gromacs/COPYING
  180. share/gromacs/README.tutor
  181. share/gromacs/README_FreeEnergyModifications.txt
  182. @comment share/gromacs/opencl/gromacs/ewald/pme_gather.clh
  183. @comment share/gromacs/opencl/gromacs/ewald/pme_gpu_calculate_splines.clh
  184. @comment share/gromacs/opencl/gromacs/ewald/pme_gpu_types.h
  185. @comment share/gromacs/opencl/gromacs/ewald/pme_program.cl
  186. @comment share/gromacs/opencl/gromacs/ewald/pme_solve.clh
  187. @comment share/gromacs/opencl/gromacs/ewald/pme_spread.clh
  188. @comment share/gromacs/opencl/gromacs/gpu_utils/device_utils.clh
  189. @comment share/gromacs/opencl/gromacs/gpu_utils/vectype_ops.clh
  190. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_consts.h
  191. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernel.clh
  192. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernel_pruneonly.clh
  193. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernel_utils.clh
  194. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels.cl
  195. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels.clh
  196. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels_fastgen.clh
  197. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels_fastgen_add_twincut.clh
  198. share/gromacs/template/CMakeLists.txt
  199. share/gromacs/template/Makefile.pkg
  200. share/gromacs/template/README
  201. share/gromacs/template/cmake/FindGROMACS.cmake
  202. share/gromacs/template/template.cpp
  203. share/gromacs/top/README
  204. share/gromacs/top/amber03.ff/aminoacids.arn
  205. share/gromacs/top/amber03.ff/aminoacids.c.tdb
  206. share/gromacs/top/amber03.ff/aminoacids.hdb
  207. share/gromacs/top/amber03.ff/aminoacids.n.tdb
  208. share/gromacs/top/amber03.ff/aminoacids.r2b
  209. share/gromacs/top/amber03.ff/aminoacids.rtp
  210. share/gromacs/top/amber03.ff/aminoacids.vsd
  211. share/gromacs/top/amber03.ff/atomtypes.atp
  212. share/gromacs/top/amber03.ff/dna.arn
  213. share/gromacs/top/amber03.ff/dna.hdb
  214. share/gromacs/top/amber03.ff/dna.r2b
  215. share/gromacs/top/amber03.ff/dna.rtp
  216. share/gromacs/top/amber03.ff/ffbonded.itp
  217. share/gromacs/top/amber03.ff/ffnonbonded.itp
  218. share/gromacs/top/amber03.ff/forcefield.doc
  219. share/gromacs/top/amber03.ff/forcefield.itp
  220. share/gromacs/top/amber03.ff/ions.itp
  221. share/gromacs/top/amber03.ff/rna.arn
  222. share/gromacs/top/amber03.ff/rna.hdb
  223. share/gromacs/top/amber03.ff/rna.r2b
  224. share/gromacs/top/amber03.ff/rna.rtp
  225. share/gromacs/top/amber03.ff/spc.itp
  226. share/gromacs/top/amber03.ff/spce.itp
  227. share/gromacs/top/amber03.ff/tip3p.itp
  228. share/gromacs/top/amber03.ff/tip4p.itp
  229. share/gromacs/top/amber03.ff/tip4pew.itp
  230. share/gromacs/top/amber03.ff/tip5p.itp
  231. share/gromacs/top/amber03.ff/urea.itp
  232. share/gromacs/top/amber03.ff/watermodels.dat
  233. share/gromacs/top/amber94.ff/aminoacids.arn
  234. share/gromacs/top/amber94.ff/aminoacids.c.tdb
  235. share/gromacs/top/amber94.ff/aminoacids.hdb
  236. share/gromacs/top/amber94.ff/aminoacids.n.tdb
  237. share/gromacs/top/amber94.ff/aminoacids.r2b
  238. share/gromacs/top/amber94.ff/aminoacids.rtp
  239. share/gromacs/top/amber94.ff/aminoacids.vsd
  240. share/gromacs/top/amber94.ff/atomtypes.atp
  241. share/gromacs/top/amber94.ff/dna.arn
  242. share/gromacs/top/amber94.ff/dna.hdb
  243. share/gromacs/top/amber94.ff/dna.r2b
  244. share/gromacs/top/amber94.ff/dna.rtp
  245. share/gromacs/top/amber94.ff/ffbonded.itp
  246. share/gromacs/top/amber94.ff/ffnonbonded.itp
  247. share/gromacs/top/amber94.ff/forcefield.doc
  248. share/gromacs/top/amber94.ff/forcefield.itp
  249. share/gromacs/top/amber94.ff/ions.itp
  250. share/gromacs/top/amber94.ff/rna.arn
  251. share/gromacs/top/amber94.ff/rna.hdb
  252. share/gromacs/top/amber94.ff/rna.r2b
  253. share/gromacs/top/amber94.ff/rna.rtp
  254. share/gromacs/top/amber94.ff/spc.itp
  255. share/gromacs/top/amber94.ff/spce.itp
  256. share/gromacs/top/amber94.ff/tip3p.itp
  257. share/gromacs/top/amber94.ff/tip4p.itp
  258. share/gromacs/top/amber94.ff/tip4pew.itp
  259. share/gromacs/top/amber94.ff/tip5p.itp
  260. share/gromacs/top/amber94.ff/urea.itp
  261. share/gromacs/top/amber94.ff/watermodels.dat
  262. share/gromacs/top/amber96.ff/aminoacids.arn
  263. share/gromacs/top/amber96.ff/aminoacids.c.tdb
  264. share/gromacs/top/amber96.ff/aminoacids.hdb
  265. share/gromacs/top/amber96.ff/aminoacids.n.tdb
  266. share/gromacs/top/amber96.ff/aminoacids.r2b
  267. share/gromacs/top/amber96.ff/aminoacids.rtp
  268. share/gromacs/top/amber96.ff/aminoacids.vsd
  269. share/gromacs/top/amber96.ff/atomtypes.atp
  270. share/gromacs/top/amber96.ff/dna.arn
  271. share/gromacs/top/amber96.ff/dna.hdb
  272. share/gromacs/top/amber96.ff/dna.r2b
  273. share/gromacs/top/amber96.ff/dna.rtp
  274. share/gromacs/top/amber96.ff/ffbonded.itp
  275. share/gromacs/top/amber96.ff/ffnonbonded.itp
  276. share/gromacs/top/amber96.ff/forcefield.doc
  277. share/gromacs/top/amber96.ff/forcefield.itp
  278. share/gromacs/top/amber96.ff/ions.itp
  279. share/gromacs/top/amber96.ff/rna.arn
  280. share/gromacs/top/amber96.ff/rna.hdb
  281. share/gromacs/top/amber96.ff/rna.r2b
  282. share/gromacs/top/amber96.ff/rna.rtp
  283. share/gromacs/top/amber96.ff/spc.itp
  284. share/gromacs/top/amber96.ff/spce.itp
  285. share/gromacs/top/amber96.ff/tip3p.itp
  286. share/gromacs/top/amber96.ff/tip4p.itp
  287. share/gromacs/top/amber96.ff/tip4pew.itp
  288. share/gromacs/top/amber96.ff/tip5p.itp
  289. share/gromacs/top/amber96.ff/urea.itp
  290. share/gromacs/top/amber96.ff/watermodels.dat
  291. share/gromacs/top/amber99.ff/aminoacids.arn
  292. share/gromacs/top/amber99.ff/aminoacids.c.tdb
  293. share/gromacs/top/amber99.ff/aminoacids.hdb
  294. share/gromacs/top/amber99.ff/aminoacids.n.tdb
  295. share/gromacs/top/amber99.ff/aminoacids.r2b
  296. share/gromacs/top/amber99.ff/aminoacids.rtp
  297. share/gromacs/top/amber99.ff/aminoacids.vsd
  298. share/gromacs/top/amber99.ff/atomtypes.atp
  299. share/gromacs/top/amber99.ff/dna.arn
  300. share/gromacs/top/amber99.ff/dna.hdb
  301. share/gromacs/top/amber99.ff/dna.r2b
  302. share/gromacs/top/amber99.ff/dna.rtp
  303. share/gromacs/top/amber99.ff/ffbonded.itp
  304. share/gromacs/top/amber99.ff/ffnonbonded.itp
  305. share/gromacs/top/amber99.ff/forcefield.doc
  306. share/gromacs/top/amber99.ff/forcefield.itp
  307. share/gromacs/top/amber99.ff/ions.itp
  308. share/gromacs/top/amber99.ff/rna.arn
  309. share/gromacs/top/amber99.ff/rna.hdb
  310. share/gromacs/top/amber99.ff/rna.r2b
  311. share/gromacs/top/amber99.ff/rna.rtp
  312. share/gromacs/top/amber99.ff/spc.itp
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  314. share/gromacs/top/amber99.ff/tip3p.itp
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  317. share/gromacs/top/amber99.ff/tip5p.itp
  318. share/gromacs/top/amber99.ff/urea.itp
  319. share/gromacs/top/amber99.ff/watermodels.dat
  320. share/gromacs/top/amber99sb-ildn.ff/aminoacids.arn
  321. share/gromacs/top/amber99sb-ildn.ff/aminoacids.c.tdb
  322. share/gromacs/top/amber99sb-ildn.ff/aminoacids.hdb
  323. share/gromacs/top/amber99sb-ildn.ff/aminoacids.n.tdb
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  325. share/gromacs/top/amber99sb-ildn.ff/aminoacids.rtp
  326. share/gromacs/top/amber99sb-ildn.ff/aminoacids.vsd
  327. share/gromacs/top/amber99sb-ildn.ff/atomtypes.atp
  328. share/gromacs/top/amber99sb-ildn.ff/dna.arn
  329. share/gromacs/top/amber99sb-ildn.ff/dna.hdb
  330. share/gromacs/top/amber99sb-ildn.ff/dna.r2b
  331. share/gromacs/top/amber99sb-ildn.ff/dna.rtp
  332. share/gromacs/top/amber99sb-ildn.ff/ffbonded.itp
  333. share/gromacs/top/amber99sb-ildn.ff/ffnonbonded.itp
  334. share/gromacs/top/amber99sb-ildn.ff/forcefield.doc
  335. share/gromacs/top/amber99sb-ildn.ff/forcefield.itp
  336. share/gromacs/top/amber99sb-ildn.ff/ions.itp
  337. share/gromacs/top/amber99sb-ildn.ff/rna.arn
  338. share/gromacs/top/amber99sb-ildn.ff/rna.hdb
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  340. share/gromacs/top/amber99sb-ildn.ff/rna.rtp
  341. share/gromacs/top/amber99sb-ildn.ff/spc.itp
  342. share/gromacs/top/amber99sb-ildn.ff/spce.itp
  343. share/gromacs/top/amber99sb-ildn.ff/tip3p.itp
  344. share/gromacs/top/amber99sb-ildn.ff/tip4p.itp
  345. share/gromacs/top/amber99sb-ildn.ff/tip4pew.itp
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  347. share/gromacs/top/amber99sb-ildn.ff/urea.itp
  348. share/gromacs/top/amber99sb-ildn.ff/watermodels.dat
  349. share/gromacs/top/amber99sb.ff/aminoacids.arn
  350. share/gromacs/top/amber99sb.ff/aminoacids.c.tdb
  351. share/gromacs/top/amber99sb.ff/aminoacids.hdb
  352. share/gromacs/top/amber99sb.ff/aminoacids.n.tdb
  353. share/gromacs/top/amber99sb.ff/aminoacids.r2b
  354. share/gromacs/top/amber99sb.ff/aminoacids.rtp
  355. share/gromacs/top/amber99sb.ff/aminoacids.vsd
  356. share/gromacs/top/amber99sb.ff/atomtypes.atp
  357. share/gromacs/top/amber99sb.ff/dna.arn
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  693. share/man/man1/gmx-pairdist.1.gz
  694. share/man/man1/gmx-pdb2gmx.1.gz
  695. share/man/man1/gmx-pme_error.1.gz
  696. share/man/man1/gmx-polystat.1.gz
  697. share/man/man1/gmx-potential.1.gz
  698. share/man/man1/gmx-principal.1.gz
  699. share/man/man1/gmx-rama.1.gz
  700. share/man/man1/gmx-rdf.1.gz
  701. share/man/man1/gmx-report-methods.1.gz
  702. share/man/man1/gmx-rms.1.gz
  703. share/man/man1/gmx-rmsdist.1.gz
  704. share/man/man1/gmx-rmsf.1.gz
  705. share/man/man1/gmx-rotacf.1.gz
  706. share/man/man1/gmx-rotmat.1.gz
  707. share/man/man1/gmx-saltbr.1.gz
  708. share/man/man1/gmx-sans.1.gz
  709. share/man/man1/gmx-sasa.1.gz
  710. share/man/man1/gmx-saxs.1.gz
  711. share/man/man1/gmx-select.1.gz
  712. share/man/man1/gmx-sham.1.gz
  713. share/man/man1/gmx-sigeps.1.gz
  714. share/man/man1/gmx-solvate.1.gz
  715. share/man/man1/gmx-sorient.1.gz
  716. share/man/man1/gmx-spatial.1.gz
  717. share/man/man1/gmx-spol.1.gz
  718. share/man/man1/gmx-tcaf.1.gz
  719. share/man/man1/gmx-traj.1.gz
  720. share/man/man1/gmx-trajectory.1.gz
  721. share/man/man1/gmx-trjcat.1.gz
  722. share/man/man1/gmx-trjconv.1.gz
  723. share/man/man1/gmx-trjorder.1.gz
  724. share/man/man1/gmx-tune_pme.1.gz
  725. share/man/man1/gmx-vanhove.1.gz
  726. share/man/man1/gmx-velacc.1.gz
  727. share/man/man1/gmx-wham.1.gz
  728. share/man/man1/gmx-wheel.1.gz
  729. share/man/man1/gmx-x2top.1.gz
  730. share/man/man1/gmx-xpm2ps.1.gz
  731. share/man/man1/gmx.1.gz
  732. @owner
  733. @group
  734. @mode
Collapse this list.
Dependency lines:
  • gromacs>0:science/gromacs
To install the port:
cd /usr/ports/science/gromacs/ && make install clean
To add the package, run one of these commands:
  • pkg install science/gromacs
  • pkg install gromacs
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: gromacs
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1689290012 SHA256 (gromacs-2023.2.tar.gz) = bce1480727e4b2bb900413b75d99a3266f3507877da4f5b2d491df798f9fcdae SIZE (gromacs-2023.2.tar.gz) = 41930578

Expand this list (2 items)

Collapse this list.

SHA256 (google-googletest-v1.13.0_GH0.tar.gz) = ad7fdba11ea011c1d925b3289cf4af2c66a352e18d4c7264392fead75e919363 SIZE (google-googletest-v1.13.0_GH0.tar.gz) = 862871

Collapse this list.


Packages (timestamps in pop-ups are UTC):
gromacs
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest2023.2_22023.2_22020.52023.2_2--2020.4_2-
FreeBSD:13:quarterly2023.2_22023.2_2-2023.2_2--2023.2_22023.2_2
FreeBSD:14:latest2023.2_22023.2_2-2023.2_2----
FreeBSD:14:quarterly2023.2_22023.2_2-2023.2_2--2023.2_22023.2_2
FreeBSD:15:latest2023.2_22023.2_2n/a2023.2_2n/a-2023.2_22023.2_2
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. boost-libs>=1.44 : devel/boost-libs
  2. cmake : devel/cmake-core
  3. ninja : devel/ninja
  4. pkgconf>=1.3.0_1 : devel/pkgconf
  5. python3.9 : lang/python39
  6. gcc12 : lang/gcc12
  7. as : devel/binutils
  8. perl5>=5.36<5.37 : lang/perl5.36
Runtime dependencies:
  1. gcc12 : lang/gcc12
  2. perl5>=5.36<5.37 : lang/perl5.36
Library dependencies:
  1. libfftw3.so : math/fftw3
  2. libhwloc.so : devel/hwloc2
  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:
===> The following configuration options are available for gromacs-2023.2_2: ATLAS=off: Use ATLAS for BLAS and LAPACK FLOAT=off: Use single instead of double precision HWLOC=on: Build with HWLOC2, portable hardware locality package LEGACY=on: Install legacy API OPENMP=on: Parallel processing support via OpenMP SIMD=off: Use CPU-specific optimizations ====> Multiprocessing: you have to select exactly one of them NOMP=off: No multiprocessing support MPICH=off: Parallel processing support via MPICH 3 OPENMPI=off: Parallel processing support via Open MPI THREAD_MPI=on: Build a thread-MPI-based multithreaded version of GROMACS ====> Heterogeneous computing via OpenCL: you have to select exactly one of them OPENCL_NONE=on: No OpenCL OPENCL_ICD=off: OpenCL via Installable Client Driver OPENCL_SYCL=off: OpenCL via the OpenSYCL implementation of SYCL ===> Use 'make config' to modify these settings
Options name:
science_gromacs
USES:
cmake compiler:c++17-lang gnome pathfix perl5 pkgconfig python:build shebangfix blaslapack
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://ftp.gromacs.org/pub/gromacs/
Collapse this list.

Number of commits found: 151 (showing only 100 on this page)

1 | 2  »  

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
2023.2_2
01 Jan 2024 11:49:51
commit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfd files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0

PR:		275860
2023.2_1
04 Nov 2023 02:27:59
commit hash: a9d5d7a02a154923233abed7a3aa99c5c7e7215ccommit hash: a9d5d7a02a154923233abed7a3aa99c5c7e7215ccommit hash: a9d5d7a02a154923233abed7a3aa99c5c7e7215ccommit hash: a9d5d7a02a154923233abed7a3aa99c5c7e7215c files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Add comment
2023.2_1
14 Oct 2023 17:38:19
commit hash: 6c44e80aa1aeb28cda67e5eefb57285f67aef7b4commit hash: 6c44e80aa1aeb28cda67e5eefb57285f67aef7b4commit hash: 6c44e80aa1aeb28cda67e5eefb57285f67aef7b4commit hash: 6c44e80aa1aeb28cda67e5eefb57285f67aef7b4 files touched by this commit
Daniel Engberg (diizzy) search for other commits by this committer
science/gromacs: Use https for MASTER_SITES and GCC for build

- Switch MASTER_SITES to https
- Fails to build with LLVM 14-17, use GCC instead

Reference:
https://github.com/Homebrew/homebrew-core/blob/c3174cdd90e026ce95010b725aa0a2f312d41bcd/Formula/g/gromacs.rb

PR:		274435
Reviewed by:	yuri (maintainer)
2023.2_1
20 Jul 2023 17:32:41
commit hash: 40154a4aa70b0ba230acf68513d4904ef51df7cdcommit hash: 40154a4aa70b0ba230acf68513d4904ef51df7cdcommit hash: 40154a4aa70b0ba230acf68513d4904ef51df7cdcommit hash: 40154a4aa70b0ba230acf68513d4904ef51df7cd files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Multiple improvements

* remove dependency on xorg: last xorg utility was retired some time ago
* add HWLOC option and pass cmake argument: hwloc2 is only used when
  this argument is supplied
* refactor OPENCL option: add OPENCL_NONE, OPENCL_ICD, OPENCL_SYCL options
* refactor SIMD option: use the AUTO value when set
* correct OPENMP option
2023.2
14 Jul 2023 00:21:33
commit hash: 038e81ab5346f6b11831ae76cda937d7c41811cdcommit hash: 038e81ab5346f6b11831ae76cda937d7c41811cdcommit hash: 038e81ab5346f6b11831ae76cda937d7c41811cdcommit hash: 038e81ab5346f6b11831ae76cda937d7c41811cd files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Fix tests

... by replacing the old bundled googletest with a newest release.
2023.2
13 Jul 2023 15:57:37
commit hash: 2ab27802c9436dde0ed20175a863dcf60992eb1fcommit hash: 2ab27802c9436dde0ed20175a863dcf60992eb1fcommit hash: 2ab27802c9436dde0ed20175a863dcf60992eb1fcommit hash: 2ab27802c9436dde0ed20175a863dcf60992eb1f files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Add TEST_DEPENDS; Remove unnecessary patch command
2023.2
13 Jul 2023 05:34:55
commit hash: 60e303f7084a90b53275b22a6c5289eb829cc09ccommit hash: 60e303f7084a90b53275b22a6c5289eb829cc09ccommit hash: 60e303f7084a90b53275b22a6c5289eb829cc09ccommit hash: 60e303f7084a90b53275b22a6c5289eb829cc09c files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Update 2023.1 → 2023.2

Reported by:	portscout
2023.1
13 Jun 2023 23:21:55
commit hash: 749238be28124aedc285ab581952d082a4dce819commit hash: 749238be28124aedc285ab581952d082a4dce819commit hash: 749238be28124aedc285ab581952d082a4dce819commit hash: 749238be28124aedc285ab581952d082a4dce819 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Update 2022.4 → 2023.1

Reported by:	portscout
2022.4_1
23 Apr 2023 09:09:58
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit
Gerald Pfeifer (gerald) search for other commits by this committer
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
2022.4
26 Dec 2022 07:19:03
commit hash: 579e44f45a6a6f76a7bce877152654d2d3a9f2f6commit hash: 579e44f45a6a6f76a7bce877152654d2d3a9f2f6commit hash: 579e44f45a6a6f76a7bce877152654d2d3a9f2f6commit hash: 579e44f45a6a6f76a7bce877152654d2d3a9f2f6 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Update 2022.3 -> 2022.4

Reported by:	portscout
07 Sep 2022 21:58:51
commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Remove WWW entries moved into port Makefiles

Commit b7f05445c00f has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.

This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.

Approved by:		portmgr (tcberner)
2022.3
07 Sep 2022 21:10:59
commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Add WWW entries to port Makefiles

It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.

Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.

There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.
(Only the first 15 lines of the commit message are shown above View all of this commit message)
2022.3
06 Sep 2022 07:08:21
commit hash: 868893c0fe8721e880d89e6a3f2aeaeb53857211commit hash: 868893c0fe8721e880d89e6a3f2aeaeb53857211commit hash: 868893c0fe8721e880d89e6a3f2aeaeb53857211commit hash: 868893c0fe8721e880d89e6a3f2aeaeb53857211 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Update 2022.2 -> 2022.3; Add test target

Reported by:	portscout
2022.2_1
12 Aug 2022 14:46:53
commit hash: 4cf39decb348615b9c8a28370d987a85d1b8a5edcommit hash: 4cf39decb348615b9c8a28370d987a85d1b8a5edcommit hash: 4cf39decb348615b9c8a28370d987a85d1b8a5edcommit hash: 4cf39decb348615b9c8a28370d987a85d1b8a5ed files touched by this commit
Dima Panov (fluffy) search for other commits by this committer
*/*: bump all consumers after recent boost upgrade
2022.2
20 Jul 2022 14:22:51
commit hash: 46196047a4df0f85aaee442799209fdaacf03361commit hash: 46196047a4df0f85aaee442799209fdaacf03361commit hash: 46196047a4df0f85aaee442799209fdaacf03361commit hash: 46196047a4df0f85aaee442799209fdaacf03361 files touched by this commit
Tobias C. Berner (tcberner) search for other commits by this committer
science: remove 'Created by' lines

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

  *  Andreas Fehlner <fehlner@gmx.de>
  *  Brad Huntting <huntting@glarp.com>
  *  Chao Shin <quakelee@cn.FreeBSD.org>
  *  Cheng-Lung Sung <clsung@FreeBSD.org>
  *  Chia-Hsing Yu <me@davidyu.org>
  *  Chris Rees <utisoft@gmail.com>
  *  David Naylor <dbn@FreeBSD.org>
  *  Dmitry Sivachenko <demon@FreeBSD.org>
  *  Ed Schouten <ed@FreeBSD.org>
  *  Eric Freeman <freebsdports@chillibear.com>
  *  Erik B Knudsen
(Only the first 15 lines of the commit message are shown above View all of this commit message)
2022.2
07 Jul 2022 06:45:25
commit hash: 75adb635f91f77275dbb98f07cb940de29ee774ccommit hash: 75adb635f91f77275dbb98f07cb940de29ee774ccommit hash: 75adb635f91f77275dbb98f07cb940de29ee774ccommit hash: 75adb635f91f77275dbb98f07cb940de29ee774c files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Change WWW to https
2022.2
17 Jun 2022 17:05:29
commit hash: 1508a7e9850a2637c2aafc37d3a5d7a0e497c2f6commit hash: 1508a7e9850a2637c2aafc37d3a5d7a0e497c2f6commit hash: 1508a7e9850a2637c2aafc37d3a5d7a0e497c2f6commit hash: 1508a7e9850a2637c2aafc37d3a5d7a0e497c2f6 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Update 2022.1 -> 2022.2

Reported by:	portscout
2022.1
16 May 2022 06:49:43
commit hash: 2d34c2bfeaa82867acfa7d73bec9644b2acecbb1commit hash: 2d34c2bfeaa82867acfa7d73bec9644b2acecbb1commit hash: 2d34c2bfeaa82867acfa7d73bec9644b2acecbb1commit hash: 2d34c2bfeaa82867acfa7d73bec9644b2acecbb1 files touched by this commit
Loïc Bartoletti (lbartoletti) search for other commits by this committer
devel/cmake: Update to 3.23.0

Update to 3.23.0.
Fix pkg-plist: using the default share/man location

Release Notes:
  https://cmake.org/cmake/help/v3.23/release/3.23.html

PR:		262886
Exp-run by:	antoine
2022.1
28 Apr 2022 03:39:22
commit hash: ffecb994225660a18261a51e4847606f0973d62dcommit hash: ffecb994225660a18261a51e4847606f0973d62dcommit hash: ffecb994225660a18261a51e4847606f0973d62dcommit hash: ffecb994225660a18261a51e4847606f0973d62d files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Update 2021.5 -> 2022.1

Reported by:	portscout
2021.5_2
10 Apr 2022 19:11:41
commit hash: d63665f7cd9c99880704a3c5bc221829cb009744commit hash: d63665f7cd9c99880704a3c5bc221829cb009744commit hash: d63665f7cd9c99880704a3c5bc221829cb009744commit hash: d63665f7cd9c99880704a3c5bc221829cb009744 files touched by this commit
Charlie Li (vishwin) search for other commits by this committer
textproc/libxml2: bump all LIB_DEPENDS consumers

This is a separate commit to facilitate easier cherry-picking for
quarterly.

PR: 262853, 262940, 262877, 263126
Approved by: fluffy (mentor)
2021.5_1
26 Mar 2022 08:27:27
commit hash: 247c7db7513f1264922428278678da641c5a3f52commit hash: 247c7db7513f1264922428278678da641c5a3f52commit hash: 247c7db7513f1264922428278678da641c5a3f52commit hash: 247c7db7513f1264922428278678da641c5a3f52 files touched by this commit
Matthias Fechner (mfechner) search for other commits by this committer
textproc/libxml2: bump all dependencies

This should make sure that all dependent ports will pick
up the new version commited with a13ec21cd733f67a9fc0dc00ab45268bdc236246
2021.5
15 Jan 2022 22:50:02
commit hash: 72fdfab1e56f7bb5b4970d603d312d96e8f34cbecommit hash: 72fdfab1e56f7bb5b4970d603d312d96e8f34cbecommit hash: 72fdfab1e56f7bb5b4970d603d312d96e8f34cbecommit hash: 72fdfab1e56f7bb5b4970d603d312d96e8f34cbe files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Update 2021.4 -> 2021.5

Reported by:	portscout
2021.4
08 Nov 2021 09:05:21
commit hash: 9eea5342606285225e90f7a1e0a9d8464a618ccecommit hash: 9eea5342606285225e90f7a1e0a9d8464a618ccecommit hash: 9eea5342606285225e90f7a1e0a9d8464a618ccecommit hash: 9eea5342606285225e90f7a1e0a9d8464a618cce files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Update 2021.3 -> 2021.4

Reported by:	portscout
2021.3
19 Aug 2021 18:04:44
commit hash: f1a67e35630a72d8c324ecef62f7c6a54582f037commit hash: f1a67e35630a72d8c324ecef62f7c6a54582f037commit hash: f1a67e35630a72d8c324ecef62f7c6a54582f037commit hash: f1a67e35630a72d8c324ecef62f7c6a54582f037 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Update 2021.2 -> 2021.3

Reported by:	portscout
2021.2
07 May 2021 03:44:01
commit hash: d9c82e0c9519df0cdecae81d5aba7a9251264d88commit hash: d9c82e0c9519df0cdecae81d5aba7a9251264d88commit hash: d9c82e0c9519df0cdecae81d5aba7a9251264d88commit hash: d9c82e0c9519df0cdecae81d5aba7a9251264d88 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/gromacs: Update 2021.1 -> 2021.2

Reported by:	portscout
2021.1
15 Apr 2021 08:31:56
commit hash: ffbc3bd9376a3672e16eafddf55b233b8fed1674commit hash: ffbc3bd9376a3672e16eafddf55b233b8fed1674commit hash: ffbc3bd9376a3672e16eafddf55b233b8fed1674commit hash: ffbc3bd9376a3672e16eafddf55b233b8fed1674 files touched by this commit
Tobias Kortkamp (tobik) search for other commits by this committer
Clean up some things

- Remove duplicate variables
- Remove nop variables
- Sort categories
- Remove redundant option descriptions that match the default ones

Reported by:	portscan
2021.1
06 Apr 2021 14:31:07
commit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344eb files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
2021.1
09 Mar 2021 05:11:29
Revision:567890Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2021 -> 2021.1
2021
18 Feb 2021 20:43:09
Revision:565980Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2020.5 -> 2021
2020.5
09 Jan 2021 10:33:49
Revision:560845Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2020.4 -> 2020.5

Reported by:	portscout
2020.4_2
08 Jan 2021 20:44:02
Revision:560810Original commit files touched by this commit
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
2020.4_2
18 Dec 2020 05:40:05
Revision:558350Original commit files touched by this commit
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.
2020.4_1
18 Dec 2020 01:21:01
Revision:558341Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Add the LEGACY option that installs legacy API needed by some
users
2020.4
12 Oct 2020 00:52:42
Revision:552085Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2020.3 -> 2020.4

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

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

Reported by:	portscout
2020.1_3
19 Apr 2020 09:49:02
Revision:532095Original commit files touched by this commit
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
2020.1_2
31 Mar 2020 16:15:17
Revision:529986Original commit files touched by this commit
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
2020.1_1
08 Mar 2020 21:56:37
Revision:528082Original commit files touched by this commit
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
2020.1
04 Mar 2020 15:53:04
Revision:527766Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2020 -> 2020.1

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

Reported by:	fallout
2020_1
30 Jan 2020 14:17:44
Revision:524642Original commit files touched by this commit
swills search for other commits by this committer
Fix math/openblas and bump dependent ports

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

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

PR:		231371
Reported by:	build cluster [1]
Reported by:	Dima Pasechnik <dimpase+freebsd@gmail.com> [2]
Reported by:	many [5]
Reviewed by:	mat, bapt
Approved by:	implicit, since this is a build fix
2020
30 Jan 2020 09:49:50
Revision:524639Original commit files touched by this commit
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
2020
12 Jan 2020 01:13:06
Revision:522739Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2019.5 -> 2020

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

Reported by:	portscout
2019.4_1
11 Dec 2019 17:53:49
Revision:519824Original commit files touched by this commit
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
2019.4
05 Oct 2019 22:57:39
Revision:513855Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2019.3 -> 2019.4

Reported by:	portscout
2019.3_3
21 Sep 2019 18:59:57
Revision:512535Original commit files touched by this commit
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/
2019.3_2
19 Aug 2019 15:35:28
Revision:509290Original commit files touched by this commit
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
2019.3_1
26 Jul 2019 20:46:57
Revision:507372Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3
to GCC 9.1 under most circumstances now after revision 507371.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, everything INDEX-11 shows with a dependency on lang/gcc9 now.

PR:		238330
2019.3
15 Jun 2019 19:35:27
Revision:504264Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2019.2 -> 2019.3

Reported by:	portscout
2019.2_2
08 May 2019 16:05:53
Revision:501030Original commit files touched by this commit
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
2019.2_1
28 Apr 2019 08:30:15
Revision:500294Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Broken on i386

Reported by:	fallout
2019.2_1
22 Apr 2019 13:16:34
Revision:499638Original commit files touched by this commit
gerald search for other commits by this committer
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.

Suggested by:	tijl
2019.2
20 Apr 2019 15:47:28
Revision:499453Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2019.1 -> 2019.2

Reported by:	portscout
2019.1_1
12 Apr 2019 06:36:31
Revision:498698Original commit files touched by this commit
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
2019.1
17 Feb 2019 02:32:08
Revision:493145Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2019 -> 2019.1

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

Reported by:	repology
2018.4_2
25 Dec 2018 20:25:40
Revision:488341Original commit files touched by this commit
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
2018.4_2
12 Dec 2018 01:35:36
Revision:487272Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t
GCC 8.2 under most circumstances.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, as a double check, everything INDEX-11 showed depending on lang/gcc7.

PR:		231590
2018.4_1
12 Dec 2018 00:15:50
Revision:487266Original commit files touched by this commit
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
2018.4
15 Nov 2018 02:22:10
Revision:484990Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2018.3 -> 2018.4

Reported by:	portscout
2018.3_1
05 Nov 2018 23:51:03
Revision:484261Original commit files touched by this commit
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)
2018.3_1
22 Sep 2018 16:36:38
Revision:480395Original commit files touched by this commit
yuri search for other commits by this committer
Change 20 ports from net/mpich2 to net/mpich

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

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

Reported by:	portscout
2018.2_3
09 Aug 2018 06:58:31
Revision:476723Original commit files touched by this commit
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
2018.2_2
29 Jul 2018 22:18:46
Revision:475857Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
in the ports tree (via Mk/bsd.default-versions.mk and lang/gcc) which
has now moved from GCC 6 to GCC 7 by default.

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

PR:		222542
2018.2_1
16 Jun 2018 21:07:11
Revision:472566Original commit files touched by this commit
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
2018.2
14 Jun 2018 08:17:41
Revision:472367Original commit files touched by this commit
yuri search for other commits by this committer
science/gromacs: Update 2018.1 -> 2018.2

Reported by:	portscout
2018.1
19 Apr 2018 08:04:10
Revision:467753Original commit files touched by this commit
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.
5.0.6_12
18 Apr 2018 13:57:43
Revision:467711Original commit files touched by this commit
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
5.0.6_11
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).
5.0.6_10
18 Jan 2018 04:11:03
Revision:459315Original commit files touched by this commit
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
5.0.6_9
25 Sep 2017 00:08:17
Revision:450560Original commit files touched by this commit
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
5.0.6_8
25 Sep 2017 00:05:06
Revision:450557Original commit files touched by this commit
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
5.0.6_7
10 Sep 2017 20:55:39
Revision:449591Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
(via Mk/bsd.default-versions.mk and lang/gcc) which has moved from
GCC 5.4 to GCC 6.4 under most circumstances.

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

PR:		219275
5.0.6_6
02 May 2017 06:48:11
Revision:439934Original commit files touched by this commit
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
5.0.6_5
01 Apr 2017 15:23:32
Revision:437439Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISIONs for ports depending on the canonical version of GCC and
lang/gcc which have moved from GCC 4.9.4 to GCC 5.4 (at least under some
circumstances such as versions of FreeBSD or platforms).

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

PR:		216707
5.0.6_4
06 Jan 2017 08:45:04
Revision:430692Original commit files touched by this commit
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
5.0.6_3
26 Dec 2016 11:59:12
Revision:429499Original commit files touched by this commit
rene search for other commits by this committer
Reset ports per maintainer request.

PR:		215557
Submitted by:	A.J. "Fonz" van Werven (maintainer)
5.0.6_3
07 Dec 2016 13:24:57
Revision:428057Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISIONS for ports depending on the canonical version of GCC and
lang/gcc which have moved from GCC 4.8.5 to GCC 4.9.4 (at least under some
circumstances such as versions of FreeBSD or platforms), part II.

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

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

PR:		214965
Reported by:	thierry
5.0.6_2
23 Nov 2016 12:45:47
Revision:426908Original commit files touched by this commit
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)
5.0.6_1
20 Nov 2016 09:38:09
Revision:426566Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISIONS for ports depending on the canonical version of GCC and
lang/gcc which have moved from GCC 4.8.5 to GCC 4.9.4 (at least under some
circumstances such as versions of FreeBSD or platforms).

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

With hat:	portmgr
Sponsored by:	Absolight
5.0.6
16 Aug 2015 21:31:42
Revision:394419Original commit files touched by this commit
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
5.0.5
19 May 2015 01:59:50
Revision:386731Original commit files touched by this commit
wen search for other commits by this committer
- Update to 5.0.5

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

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

PR:		193902
Submitted by:	tkato432@yahoo.com
5.0_5
20 Oct 2014 13:09:42
Revision:371267Original commit files touched by this commit
marino search for other commits by this committer
science/gromacs: Fix build on DragonFly (fix from dports)
5.0_5
28 Sep 2014 03:41:25
Revision:369434Original commit files touched by this commit
danilo search for other commits by this committer
- Update net/openmpi from 1.8.2 to 1.8.3
5.0_4
10 Sep 2014 20:50:37
Revision:367888Original commit files touched by this commit
gerald search for other commits by this committer
Update the default version of GCC in the Ports Collection from GCC 4.7.4
to GCC 4.8.3.

Part II, Bump PORTREVISIONs.

PR:		192025
Tested by:	antoine (-exp runs)
Approved by:	portmgr (implicit)
5.0_3
01 Sep 2014 21:50:15
Revision:366964Original commit files touched by this commit
thierry search for other commits by this committer
- Upgrade to 1.5;

- Bump PORTREVISION for consumers.
5.0_2
31 Aug 2014 16:36:23
Revision:366788Original commit files touched by this commit
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
5.0_1
26 Aug 2014 19:55:00
Revision:366262Original commit files touched by this commit
thierry search for other commits by this committer
Chase the upgrade of net/mpich2.

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

PR:		191826
Submitted by:	Ports Fury
4.6.5_3
14 Jul 2014 16:51:45
Revision:361800Original commit files touched by this commit
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)

Number of commits found: 151 (showing only 100 on this page)

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