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Port details
gromacs Compute molecular dynamics
2025.0_1 science on this many watch lists=2 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 2025.0_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: 2025-02-14 10:30:54
Commit Hash: abc07dd
People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py311-PyOpenGL, p5-Sane
License: LGPL21
WWW:
https://www.gromacs.org
https://gitlab.com/gromacs/gromacs
https://github.com/gromacs/gromacs
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.
HomepageHomepageHomepage    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 (717 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/gromacs-2025.0_1/catalog.mk
  3. /usr/local/share/licenses/gromacs-2025.0_1/LICENSE
  4. /usr/local/share/licenses/gromacs-2025.0_1/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/nblib/basicdefinitions.h
  118. include/nblib/box.h
  119. include/nblib/exception.h
  120. include/nblib/gmxcalculatorcpu.h
  121. include/nblib/integrator.h
  122. include/nblib/interactions.h
  123. include/nblib/kerneloptions.h
  124. include/nblib/listed_forces/bondtypes.h
  125. include/nblib/listed_forces/calculator.h
  126. include/nblib/listed_forces/definitions.h
  127. include/nblib/molecules.h
  128. include/nblib/nblib.h
  129. include/nblib/nbnxmsetuphelpers.h
  130. include/nblib/particlesequencer.h
  131. include/nblib/particletype.h
  132. include/nblib/simulationstate.h
  133. include/nblib/topology.h
  134. include/nblib/tpr.h
  135. include/nblib/util/setup.h
  136. include/nblib/util/traits.hpp
  137. include/nblib/util/util.hpp
  138. include/nblib/vector.h
  139. lib/libgmxapi_d.so
  140. lib/libgmxapi_d.so.0
  141. lib/libgmxapi_d.so.0.4.0
  142. lib/libgromacs_d.so
  143. lib/libgromacs_d.so.10
  144. lib/libgromacs_d.so.10.0.0
  145. lib/libnblib_gmx.so
  146. lib/libnblib_gmx.so.0
  147. lib/libnblib_gmx.so.0.1.0
  148. libdata/pkgconfig/libgromacs_d.pc
  149. share/cmake/gmxapi/gmxapi-config-version.cmake
  150. share/cmake/gmxapi/gmxapi-config.cmake
  151. share/cmake/gmxapi/gmxapi-release.cmake
  152. share/cmake/gmxapi/gmxapi.cmake
  153. share/cmake/gromacs_d/gromacs-hints_d.cmake
  154. share/cmake/gromacs_d/gromacs_d-config-version.cmake
  155. share/cmake/gromacs_d/gromacs_d-config.cmake
  156. share/cmake/gromacs_d/libgromacs-release.cmake
  157. share/cmake/gromacs_d/libgromacs.cmake
  158. share/gromacs/COPYING
  159. share/gromacs/README.tutor
  160. share/gromacs/README_FreeEnergyModifications.txt
  161. @comment share/gromacs/opencl/gromacs/ewald/pme_gather.clh
  162. @comment share/gromacs/opencl/gromacs/ewald/pme_gpu_calculate_splines.clh
  163. @comment share/gromacs/opencl/gromacs/ewald/pme_gpu_types.h
  164. @comment share/gromacs/opencl/gromacs/ewald/pme_program.cl
  165. @comment share/gromacs/opencl/gromacs/ewald/pme_solve.clh
  166. @comment share/gromacs/opencl/gromacs/ewald/pme_spread.clh
  167. @comment share/gromacs/opencl/gromacs/gpu_utils/device_utils.clh
  168. @comment share/gromacs/opencl/gromacs/gpu_utils/vectype_ops.clh
  169. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_consts.h
  170. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernel.clh
  171. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernel_pruneonly.clh
  172. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernel_utils.clh
  173. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels.cl
  174. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels.clh
  175. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels_fastgen.clh
  176. @comment share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels_fastgen_add_twincut.clh
  177. share/gromacs/template/CMakeLists.txt
  178. share/gromacs/template/Makefile.pkg
  179. share/gromacs/template/README
  180. share/gromacs/template/cmake/FindGROMACS.cmake
  181. share/gromacs/template/template.cpp
  182. share/gromacs/top/README
  183. share/gromacs/top/amber03.ff/aminoacids.arn
  184. share/gromacs/top/amber03.ff/aminoacids.c.tdb
  185. share/gromacs/top/amber03.ff/aminoacids.hdb
  186. share/gromacs/top/amber03.ff/aminoacids.n.tdb
  187. share/gromacs/top/amber03.ff/aminoacids.r2b
  188. share/gromacs/top/amber03.ff/aminoacids.rtp
  189. share/gromacs/top/amber03.ff/aminoacids.vsd
  190. share/gromacs/top/amber03.ff/atomtypes.atp
  191. share/gromacs/top/amber03.ff/dna.arn
  192. share/gromacs/top/amber03.ff/dna.hdb
  193. share/gromacs/top/amber03.ff/dna.r2b
  194. share/gromacs/top/amber03.ff/dna.rtp
  195. share/gromacs/top/amber03.ff/ffbonded.itp
  196. share/gromacs/top/amber03.ff/ffnonbonded.itp
  197. share/gromacs/top/amber03.ff/forcefield.doc
  198. share/gromacs/top/amber03.ff/forcefield.itp
  199. share/gromacs/top/amber03.ff/ions.itp
  200. share/gromacs/top/amber03.ff/rna.arn
  201. share/gromacs/top/amber03.ff/rna.hdb
  202. share/gromacs/top/amber03.ff/rna.r2b
  203. share/gromacs/top/amber03.ff/rna.rtp
  204. share/gromacs/top/amber03.ff/spc.itp
  205. share/gromacs/top/amber03.ff/spce.itp
  206. share/gromacs/top/amber03.ff/tip3p.itp
  207. share/gromacs/top/amber03.ff/tip4p.itp
  208. share/gromacs/top/amber03.ff/tip4pew.itp
  209. share/gromacs/top/amber03.ff/tip5p.itp
  210. share/gromacs/top/amber03.ff/urea.itp
  211. share/gromacs/top/amber03.ff/watermodels.dat
  212. share/gromacs/top/amber94.ff/aminoacids.arn
  213. share/gromacs/top/amber94.ff/aminoacids.c.tdb
  214. share/gromacs/top/amber94.ff/aminoacids.hdb
  215. share/gromacs/top/amber94.ff/aminoacids.n.tdb
  216. share/gromacs/top/amber94.ff/aminoacids.r2b
  217. share/gromacs/top/amber94.ff/aminoacids.rtp
  218. share/gromacs/top/amber94.ff/aminoacids.vsd
  219. share/gromacs/top/amber94.ff/atomtypes.atp
  220. share/gromacs/top/amber94.ff/dna.arn
  221. share/gromacs/top/amber94.ff/dna.hdb
  222. share/gromacs/top/amber94.ff/dna.r2b
  223. share/gromacs/top/amber94.ff/dna.rtp
  224. share/gromacs/top/amber94.ff/ffbonded.itp
  225. share/gromacs/top/amber94.ff/ffnonbonded.itp
  226. share/gromacs/top/amber94.ff/forcefield.doc
  227. share/gromacs/top/amber94.ff/forcefield.itp
  228. share/gromacs/top/amber94.ff/ions.itp
  229. share/gromacs/top/amber94.ff/rna.arn
  230. share/gromacs/top/amber94.ff/rna.hdb
  231. share/gromacs/top/amber94.ff/rna.r2b
  232. share/gromacs/top/amber94.ff/rna.rtp
  233. share/gromacs/top/amber94.ff/spc.itp
  234. share/gromacs/top/amber94.ff/spce.itp
  235. share/gromacs/top/amber94.ff/tip3p.itp
  236. share/gromacs/top/amber94.ff/tip4p.itp
  237. share/gromacs/top/amber94.ff/tip4pew.itp
  238. share/gromacs/top/amber94.ff/tip5p.itp
  239. share/gromacs/top/amber94.ff/urea.itp
  240. share/gromacs/top/amber94.ff/watermodels.dat
  241. share/gromacs/top/amber96.ff/aminoacids.arn
  242. share/gromacs/top/amber96.ff/aminoacids.c.tdb
  243. share/gromacs/top/amber96.ff/aminoacids.hdb
  244. share/gromacs/top/amber96.ff/aminoacids.n.tdb
  245. share/gromacs/top/amber96.ff/aminoacids.r2b
  246. share/gromacs/top/amber96.ff/aminoacids.rtp
  247. share/gromacs/top/amber96.ff/aminoacids.vsd
  248. share/gromacs/top/amber96.ff/atomtypes.atp
  249. share/gromacs/top/amber96.ff/dna.arn
  250. share/gromacs/top/amber96.ff/dna.hdb
  251. share/gromacs/top/amber96.ff/dna.r2b
  252. share/gromacs/top/amber96.ff/dna.rtp
  253. share/gromacs/top/amber96.ff/ffbonded.itp
  254. share/gromacs/top/amber96.ff/ffnonbonded.itp
  255. share/gromacs/top/amber96.ff/forcefield.doc
  256. share/gromacs/top/amber96.ff/forcefield.itp
  257. share/gromacs/top/amber96.ff/ions.itp
  258. share/gromacs/top/amber96.ff/rna.arn
  259. share/gromacs/top/amber96.ff/rna.hdb
  260. share/gromacs/top/amber96.ff/rna.r2b
  261. share/gromacs/top/amber96.ff/rna.rtp
  262. share/gromacs/top/amber96.ff/spc.itp
  263. share/gromacs/top/amber96.ff/spce.itp
  264. share/gromacs/top/amber96.ff/tip3p.itp
  265. share/gromacs/top/amber96.ff/tip4p.itp
  266. share/gromacs/top/amber96.ff/tip4pew.itp
  267. share/gromacs/top/amber96.ff/tip5p.itp
  268. share/gromacs/top/amber96.ff/urea.itp
  269. share/gromacs/top/amber96.ff/watermodels.dat
  270. share/gromacs/top/amber99.ff/aminoacids.arn
  271. share/gromacs/top/amber99.ff/aminoacids.c.tdb
  272. share/gromacs/top/amber99.ff/aminoacids.hdb
  273. share/gromacs/top/amber99.ff/aminoacids.n.tdb
  274. share/gromacs/top/amber99.ff/aminoacids.r2b
  275. share/gromacs/top/amber99.ff/aminoacids.rtp
  276. share/gromacs/top/amber99.ff/aminoacids.vsd
  277. share/gromacs/top/amber99.ff/atomtypes.atp
  278. share/gromacs/top/amber99.ff/dna.arn
  279. share/gromacs/top/amber99.ff/dna.hdb
  280. share/gromacs/top/amber99.ff/dna.r2b
  281. share/gromacs/top/amber99.ff/dna.rtp
  282. share/gromacs/top/amber99.ff/ffbonded.itp
  283. share/gromacs/top/amber99.ff/ffnonbonded.itp
  284. share/gromacs/top/amber99.ff/forcefield.doc
  285. share/gromacs/top/amber99.ff/forcefield.itp
  286. share/gromacs/top/amber99.ff/ions.itp
  287. share/gromacs/top/amber99.ff/rna.arn
  288. share/gromacs/top/amber99.ff/rna.hdb
  289. share/gromacs/top/amber99.ff/rna.r2b
  290. share/gromacs/top/amber99.ff/rna.rtp
  291. share/gromacs/top/amber99.ff/spc.itp
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  295. share/gromacs/top/amber99.ff/tip4pew.itp
  296. share/gromacs/top/amber99.ff/tip5p.itp
  297. share/gromacs/top/amber99.ff/urea.itp
  298. share/gromacs/top/amber99.ff/watermodels.dat
  299. share/gromacs/top/amber99sb-ildn.ff/aminoacids.arn
  300. share/gromacs/top/amber99sb-ildn.ff/aminoacids.c.tdb
  301. share/gromacs/top/amber99sb-ildn.ff/aminoacids.hdb
  302. share/gromacs/top/amber99sb-ildn.ff/aminoacids.n.tdb
  303. share/gromacs/top/amber99sb-ildn.ff/aminoacids.r2b
  304. share/gromacs/top/amber99sb-ildn.ff/aminoacids.rtp
  305. share/gromacs/top/amber99sb-ildn.ff/aminoacids.vsd
  306. share/gromacs/top/amber99sb-ildn.ff/atomtypes.atp
  307. share/gromacs/top/amber99sb-ildn.ff/dna.arn
  308. share/gromacs/top/amber99sb-ildn.ff/dna.hdb
  309. share/gromacs/top/amber99sb-ildn.ff/dna.r2b
  310. share/gromacs/top/amber99sb-ildn.ff/dna.rtp
  311. share/gromacs/top/amber99sb-ildn.ff/ffbonded.itp
  312. share/gromacs/top/amber99sb-ildn.ff/ffnonbonded.itp
  313. share/gromacs/top/amber99sb-ildn.ff/forcefield.doc
  314. share/gromacs/top/amber99sb-ildn.ff/forcefield.itp
  315. share/gromacs/top/amber99sb-ildn.ff/ions.itp
  316. share/gromacs/top/amber99sb-ildn.ff/rna.arn
  317. share/gromacs/top/amber99sb-ildn.ff/rna.hdb
  318. share/gromacs/top/amber99sb-ildn.ff/rna.r2b
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  327. share/gromacs/top/amber99sb-ildn.ff/watermodels.dat
  328. share/gromacs/top/amber99sb.ff/aminoacids.arn
  329. share/gromacs/top/amber99sb.ff/aminoacids.c.tdb
  330. share/gromacs/top/amber99sb.ff/aminoacids.hdb
  331. share/gromacs/top/amber99sb.ff/aminoacids.n.tdb
  332. share/gromacs/top/amber99sb.ff/aminoacids.r2b
  333. share/gromacs/top/amber99sb.ff/aminoacids.rtp
  334. share/gromacs/top/amber99sb.ff/aminoacids.vsd
  335. share/gromacs/top/amber99sb.ff/atomtypes.atp
  336. share/gromacs/top/amber99sb.ff/dna.arn
  337. share/gromacs/top/amber99sb.ff/dna.hdb
  338. share/gromacs/top/amber99sb.ff/dna.r2b
  339. share/gromacs/top/amber99sb.ff/dna.rtp
  340. share/gromacs/top/amber99sb.ff/ffbonded.itp
  341. share/gromacs/top/amber99sb.ff/ffnonbonded.itp
  342. share/gromacs/top/amber99sb.ff/forcefield.doc
  343. share/gromacs/top/amber99sb.ff/forcefield.itp
  344. share/gromacs/top/amber99sb.ff/ions.itp
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  688. share/man/man1/gmx-rotmat.1.gz
  689. share/man/man1/gmx-saltbr.1.gz
  690. share/man/man1/gmx-sans-legacy.1.gz
  691. share/man/man1/gmx-sasa.1.gz
  692. share/man/man1/gmx-saxs-legacy.1.gz
  693. share/man/man1/gmx-scattering.1.gz
  694. share/man/man1/gmx-select.1.gz
  695. share/man/man1/gmx-sham.1.gz
  696. share/man/man1/gmx-sigeps.1.gz
  697. share/man/man1/gmx-solvate.1.gz
  698. share/man/man1/gmx-sorient.1.gz
  699. share/man/man1/gmx-spatial.1.gz
  700. share/man/man1/gmx-spol.1.gz
  701. share/man/man1/gmx-tcaf.1.gz
  702. share/man/man1/gmx-traj.1.gz
  703. share/man/man1/gmx-trajectory.1.gz
  704. share/man/man1/gmx-trjcat.1.gz
  705. share/man/man1/gmx-trjconv.1.gz
  706. share/man/man1/gmx-trjorder.1.gz
  707. share/man/man1/gmx-tune_pme.1.gz
  708. share/man/man1/gmx-vanhove.1.gz
  709. share/man/man1/gmx-velacc.1.gz
  710. share/man/man1/gmx-wham.1.gz
  711. share/man/man1/gmx-wheel.1.gz
  712. share/man/man1/gmx-x2top.1.gz
  713. share/man/man1/gmx-xpm2ps.1.gz
  714. share/man/man1/gmx.1.gz
  715. @owner
  716. @group
  717. @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 = 1739341467 SHA256 (gromacs-2025.0.tar.gz) = a27ad35a646295bbec129abe684d9d03d1e2e0bd76b0d625e9055746aaefae82 SIZE (gromacs-2025.0.tar.gz) = 44417653

Packages (timestamps in pop-ups are UTC):
gromacs
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest2025.0_12025.0_12020.52025.0_1--2020.4_2-
FreeBSD:13:quarterly2024.42025.0_1-2024.4--2023.2_22023.2_2
FreeBSD:14:latest2025.0_12025.0_1-2025.0_1----
FreeBSD:14:quarterly2024.42025.0_1-2024.4--2023.2_22023.2_2
FreeBSD:15:latest2025.0_12025.0_1n/a2025.0_1n/a-2023.2_22023.2_2
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. python3.11 : lang/python311
  6. perl5>=5.36<5.37 : lang/perl5.36
Runtime dependencies:
  1. perl5>=5.36<5.37 : lang/perl5.36
Library dependencies:
  1. liblmfit.so : math/lmfit
  2. libmuparser.so : math/muparser
  3. libfftw3.so : math/fftw3
  4. libhwloc.so : devel/hwloc2
  5. libblas.so : math/blas
  6. liblapack.so : math/lapack
This port is required by:
for Libraries
  1. science/votca

Configuration Options:
===> The following configuration options are available for gromacs-2025.0_1: 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 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 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: 161 (showing only 61 on this page)

«  1 | 2 

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
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)
4.6.5_2
06 Jul 2014 09:09:15
Revision:360865Original commit files touched by this commit
marino search for other commits by this committer
science/gromacs: Add DragonFly support (dports)
4.6.5_2
10 Mar 2014 20:55:22
Revision:347809Original commit files touched by this commit
gerald search for other commits by this committer
Update the default version of GCC used in the Ports Collection from
GCC 4.6.4 to GCC 4.7.3.  This entails updating the lang/gcc port as
well as changing the default in Mk/bsd.default-versions.mk.

Part II, Bump PORTREVISIONs.

PR:		182136
Supported by:	Christoph Moench-Tegeder <cmt@burggraben.net> (fixing many ports)
Tested by:	bdrewery (two -exp runs)
4.6.5_1
27 Dec 2013 16:39:53
Revision:337747Original commit files touched by this commit
tijl search for other commits by this committer
- USES=fortran.
- Fix detection of dlopen(3) to support plugins from science/vmd.
4.6.5
17 Dec 2013 20:36:38
Revision:336762Original commit files touched by this commit
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]
4.6.4
26 Nov 2013 17:45:42
Revision:334960Original commit files touched by this commit
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>
4.6.3_2
26 Oct 2013 00:52:36
Revision:331644Original commit files touched by this commit
gerald search for other commits by this committer
Update to libmpc version 1.0.1 which brings the following fixes:

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

This is on top of the following changes from version 1.0

 - Licence change towards LGPLv3+ for the code and GFDLv1.3+ (with no
   invariant sections) for the documentation.
 - 100% of all lines are covered by tests
 - Renamed functions
   . mpc_mul_2exp to mpc_mul_2ui
   . mpc_div_2exp to mpc_div_2ui
(Only the first 15 lines of the commit message are shown above View all of this commit message)
4.6.3_1
20 Sep 2013 22:48:31
Revision:327767Original commit files touched by this commit
bapt search for other commits by this committer
Add NO_STAGE all over the place in preparation for the staging support (cat:
science)
4.6.3_1
26 Aug 2013 16:06:38
Revision:325401Original commit files touched by this commit
bf search for other commits by this committer
Update math/gsl to 1.16 and adjust some dependent ports
4.6.3
14 Aug 2013 22:35:54
Revision:324744Original commit files touched by this commit Sanity Test Failure
ak search for other commits by this committer
- Remove MAKE_JOBS_SAFE variable

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

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

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

PR:		177243
Submitted by:	ports fury
4.6
22 Mar 2013 20:06:15
Revision:314960Original commit files touched by this commit
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)
4.6
10 Feb 2013 07:56:49
Revision:312002Original commit files touched by this commit
miwi search for other commits by this committer
- Update to 4.6

PR:		175589
Submitted by:	Ports Fury
4.5.5_1
06 Oct 2012 20:50:12
Revision:305402Original commit files touched by this commit
flo search for other commits by this committer
- convert to optionsNG
- trim headers
- drop maintainership
4.5.5_1
17 Oct 2011 10:08:33
Original commit files touched by this commit
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
4.5.5
02 Oct 2011 08:37:42
Original commit files touched by this commit
flo search for other commits by this committer
fix distinfo, the distfile was rerolled. Nothing major, mostly spelling fixes.

Reported by:    pav, erwin
4.5.5
23 Sep 2011 22:26:39
Original commit files touched by this commit
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
4.5.5
20 Sep 2011 15:46:47
Original commit files touched by this commit
flo search for other commits by this committer
- update to 4.5.5
- drop FreeBSD 6.x support
4.5.4_1
09 May 2011 16:42:28
Original commit files touched by this commit
bf search for other commits by this committer
Update math/gsl to 1.15, and adjust PORTREVISION
and LIB_DEPENDS of dependent ports
4.5.4
09 Apr 2011 13:25:13
Original commit files touched by this commit
flo search for other commits by this committer
- update to 4.5.4

PR:             ports/156214
Submitted by:   "Peter C. Lai" <cowbert@gmail.com>
4.5.3
27 Dec 2010 22:02:09
Original commit files touched by this commit
flo search for other commits by this committer
- change MAINTAINER to my @FreeBSD.org address

Approved by: jadawin (mentor)
4.5.3
04 Dec 2010 07:34:27
Original commit files touched by this commit
ade search for other commits by this committer
Sync to new bsd.autotools.mk
4.5.3
18 Nov 2010 15:33:39
Original commit files touched by this commit
pav search for other commits by this committer
- Update to 4.5.3

PR:             ports/151888
Submitted by:   Florian Smeets <flo@smeets.im> (maintainer)
4.0.7_1
22 Sep 2010 21:21:25
Original commit files touched by this commit
pgollucci search for other commits by this committer
- Update maintainer email address flo@kasimir.com -> flo@smeets.im

PR:             ports/150855
Submitted by:   maintainer
4.0.7_1
29 Mar 2010 01:12:27
Original commit files touched by this commit
wen search for other commits by this committer
- Bump PORTREVISION to chase the update of math/gsl
4.0.7
13 Dec 2009 00:21:04
Original commit files touched by this commit
miwi search for other commits by this committer
- Update to 4.0.7

PR:             141284
Submitted by:   Florian Smeets <flo@kasimir.com> (maintainer)
4.0.5_1
01 Dec 2009 20:33:45
Original commit files touched by this commit
makc search for other commits by this committer
Chase math/gsl update,
bump PORTREVISION
4.0.5
28 Nov 2009 10:44:56
Original commit files touched by this commit
thierry search for other commits by this committer
- Chase relocation of net/mpich2

- Bump PORTREVISION if needed

- Fix some portlint errors.
4.0.5
02 Aug 2009 19:36:34
Original commit files touched by this commit
mezz search for other commits by this committer
-Repocopy devel/libtool15 -> libtool22 and libltdl15 -> libltdl22.
-Update libtool and libltdl to 2.2.6a.
-Remove devel/libtool15 and devel/libltdl15.
-Fix ports build with libtool22/libltdl22.
-Bump ports that depend on libltdl22 due to shared library version change.
-Explain what to do update in the UPDATING.

It has been tested with GNOME2, XFCE4, KDE3, KDE4 and other many wm/desktop
and applications in the runtime.

With help:      marcus and kwm
Pointyhat-exp:  a few times by pav
Tested by:      pgollucci, "Romain Tartière" <romain@blogreen.org>, and
                a few MarcusCom CVS users. Also, I might have missed a few.
Repocopy by:    marcus
Approved by:    portmgr
4.0.5
06 Jun 2009 22:53:25
Original commit files touched by this commit
miwi search for other commits by this committer
- Update to 4.0.5

PR:             135246
Submitted by:   Florian Smeets <flo@kasimir.com> (maintainer)
4.0.3_1
30 May 2009 16:17:14
Original commit files touched by this commit
rafan search for other commits by this committer
- Fix build on sparc64 by files/patch-include__gmx_cyclecounter.h
- Fix WITH_MPICH
- Use LOCALBASE for reference to bits installed by others
- Pass maintainership to the submitter
- Pet portlint(1): IGNORE

PR:             ports/133242
Submitted by:   Florian Smeets <flo at kasimir.com>
Approved by:    Stephen Montgomery-Smith <stephen at math.missouri.edu>
(maintainer)
4.0.3_1
18 May 2009 15:08:58
Original commit files touched by this commit
pav search for other commits by this committer
- Chase fftw3 update
4.0.3
05 Apr 2009 20:50:49
Original commit files touched by this commit
dhn search for other commits by this committer
- Update maintainer mail address

PR:             ports/133397
Submitted by:   Stephen Montgomery-Smith <stephen@missouri.edu> (maintainer)
Approved by:    tabthorpe (co-mentor)
4.0.3
16 Mar 2009 09:35:28
Original commit files touched by this commit
linimon search for other commits by this committer
Mark as broken on sparc64: fails to compile.
4.0.3
28 Feb 2009 19:49:49
Original commit files touched by this commit
miwi search for other commits by this committer
- Update to 4.0.3

PR:             131655
Submitted by:   Joerg Pulz <Joerg.Pulz@frm2.tum.de>
Approved by:    maintainer
3.2.1_4
21 Aug 2008 06:18:49
Original commit files touched by this commit
rafan search for other commits by this committer
Update CONFIGURE_ARGS for how we pass CONFIGURE_TARGET to configure script.
Specifically, newer autoconf (> 2.13) has different semantic of the
configure target. In short, one should use --build=CONFIGURE_TARGET
instead of CONFIGURE_TARGET directly. Otherwise, you will get a warning
and the old semantic may be removed in later autoconf releases.

To workaround this issue, many ports hack the CONFIGURE_TARGET variable
so that it contains the ``--build='' prefix.

To solve this issue, under the fact that some ports still have
configure script generated by the old autoconf, we use runtime detection
in the do-configure target so that the proper argument can be used.

Changes to Mk/*:
 - Add runtime detection magic in bsd.port.mk
(Only the first 15 lines of the commit message are shown above View all of this commit message)
3.2.1_4
19 Apr 2008 17:56:05
Original commit files touched by this commit Sanity Test Failure
miwi search for other commits by this committer
- Remove unneeded dependency from gtk12/gtk20 [1]
- Remove USE_XLIB/USE_X_PREFIX/USE_XPM in favor of USE_XORG
- Remove X11BASE support in favor of LOCALBASE or PREFIX
- Use USE_LDCONFIG instead of INSTALLS_SHLIB
- Remove unneeded USE_GCC 3.4+

Thanks to all Helpers:
        Dmitry Marakasov, Chess Griffin, beech@, dinoex, rafan, gahr,
        ehaupt, nox, itetcu, flz, pav

PR:             116263
Tested on:      pointyhat
Approved by:    portmgr (pav)
3.2.1_4
22 Mar 2008 08:55:40
Original commit files touched by this commit
miwi search for other commits by this committer
- Remove USE_XLIB/USE_X_PREFIX/USE_XPM in favor of USE_XORG
- Bump PORTREVISION

Approved by:    portmgr (xorg cleanup)
3.2.1_3
19 May 2007 20:32:57
Original commit files touched by this commit
flz search for other commits by this committer
- Welcome X.org 7.2 \o/.
- Set X11BASE to ${LOCALBASE} for recent ${OSVERSION}.
- Bump PORTREVISION for ports intalling files in ${X11BASE}.
3.2.1_2
23 Feb 2006 10:40:45
Original commit files touched by this commit
ade search for other commits by this committer
Conversion to a single libtool environment.

Approved by:    portmgr (kris)
3.2.1_1
24 Jan 2006 01:01:36
Original commit files touched by this commit
edwin search for other commits by this committer
SHA256ify

Approved by: krion@
3.2.1_1
15 Nov 2005 06:52:12
Original commit files touched by this commit
ade search for other commits by this committer
Mass-conversion to the USE_AUTOTOOLS New World Order.  The code present
in bsd.autotools.mk essentially makes this a no-op given that all the
old variables set a USE_AUTOTOOLS_COMPAT variable, which is parsed in
exactly the same way as USE_AUTOTOOLS itself.

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

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

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

Light blue touch-paper.  Run.
3.2.1_1
12 Apr 2005 03:26:57
Original commit files touched by this commit
obrien search for other commits by this committer
At Kris's request, back out the MACHINE_ARCH spelling correction until
after 5.4-RELEASE.
3.2.1_1
11 Apr 2005 08:04:41
Original commit files touched by this commit
obrien search for other commits by this committer
Assist getting more ports working on AMD64 by obeying the
Ports Collection documentation and use 'ARCH' rather than 'MACHINE_ARCH'.
3.2.1_1
09 Dec 2004 22:45:33
Original commit files touched by this commit
thierry search for other commits by this committer
- Fix pkg_plist and unbreak;
- Define USE_LIBTOOL_VER;
- Bump PORTREVISION.

PR:             ports/74828
Submitted by:   maintainer.
3.2.1
18 Nov 2004 08:08:00
Original commit files touched by this commit
kris search for other commits by this committer
BROKEN: Broken pkg-plist
3.2.1
04 Nov 2004 03:32:39
Original commit files touched by this commit
maho search for other commits by this committer
Fix build by adding
.ifndef WITH_FLOAT
CONFIGURE_ARGS+=        --disable-float

Submitted by:   Stephen Montgomery-Smith <stephen at math.missouri.edu>
Reported by:    kris via pointyhat and Bruno Afonso <brunomiguel at
dequim.ist.utl.pt>
3.2.1
19 Oct 2004 01:36:11
Original commit files touched by this commit
maho search for other commits by this committer
New port science/gromacs
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, and also the World's
fastest Molecular Dynamics under GPL.

PR:             71211
Submitted by:   Stephen Montgomery-Smith <stephen@math.missouri.edu>
Reviewed by:    Bruno Afonso <brunomiguel@dequim.ist.utl.pt>

Number of commits found: 161 (showing only 61 on this page)

«  1 | 2