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Port details
votca CSG and XTP: libraries for atomistic simulations
2023_1 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 2023Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2020-05-05 01:19:35
Last Update: 2024-02-13 14:44:22
Commit Hash: db61653
License: APACHE20
WWW:
https://github.com/votca/votca
Description:
The Votca package contains two libraries: * VOTCA-CSG, a library which provides tools to develop coarse-grained potentials from atomistic simulation data * VOTCA-XTP, a library designed to determine electronic properties of organic materials from atomistic MD-trajectories.
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 (1324 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/votca-2023_1/catalog.mk
  3. /usr/local/share/licenses/votca-2023_1/LICENSE
  4. /usr/local/share/licenses/votca-2023_1/APACHE20
  5. bin/VOTCARC.bash
  6. bin/csg_boltzmann
  7. bin/csg_call
  8. bin/csg_density
  9. bin/csg_dlptopol
  10. bin/csg_dump
  11. bin/csg_fluctuations
  12. bin/csg_fmatch
  13. bin/csg_gmxtopol
  14. bin/csg_imc_solve
  15. bin/csg_inverse
  16. bin/csg_map
  17. bin/csg_orientcorr
  18. bin/csg_part_dist
  19. bin/csg_partial_rdf
  20. bin/csg_property
  21. bin/csg_radii
  22. bin/csg_resample
  23. bin/csg_reupdate
  24. bin/csg_sphericalorder
  25. bin/csg_stat
  26. bin/csg_traj_force
  27. bin/votca_property
  28. bin/xtp_autogen_mapping
  29. bin/xtp_basisset
  30. bin/xtp_map
  31. bin/xtp_modify_jobfile
  32. bin/xtp_parallel
  33. bin/xtp_qmmm2qm
  34. bin/xtp_run
  35. bin/xtp_tools
  36. bin/xtp_update_mapfile
  37. include/votca/csg/basebead.h
  38. include/votca/csg/bead.h
  39. include/votca/csg/beadlist.h
  40. include/votca/csg/beadmotif.h
  41. include/votca/csg/beadmotifalgorithms.h
  42. include/votca/csg/beadmotifconnector.h
  43. include/votca/csg/beadpair.h
  44. include/votca/csg/beadstructure.h
  45. include/votca/csg/beadstructurealgorithms.h
  46. include/votca/csg/beadtriple.h
  47. include/votca/csg/boundarycondition.h
  48. include/votca/csg/cgengine.h
  49. include/votca/csg/cgmoleculedef.h
  50. include/votca/csg/cgobserver.h
  51. include/votca/csg/csgapplication.h
  52. include/votca/csg/exclusionlist.h
  53. include/votca/csg/fileformatfactory.h
  54. include/votca/csg/imcio.h
  55. include/votca/csg/interaction.h
  56. include/votca/csg/map.h
  57. include/votca/csg/molecule.h
  58. include/votca/csg/moleculeitem.h
  59. include/votca/csg/nblist.h
  60. include/votca/csg/nblist_3body.h
  61. include/votca/csg/nblistgrid.h
  62. include/votca/csg/nblistgrid_3body.h
  63. include/votca/csg/nematicorder.h
  64. include/votca/csg/openbox.h
  65. include/votca/csg/orthorhombicbox.h
  66. include/votca/csg/pairlist.h
  67. include/votca/csg/pdbwriter.h
  68. include/votca/csg/potentialfunction.h
  69. include/votca/csg/potentialfunctioncbspl.h
  70. include/votca/csg/potentialfunctionlj126.h
  71. include/votca/csg/potentialfunctionljg.h
  72. include/votca/csg/residue.h
  73. include/votca/csg/topology.h
  74. include/votca/csg/topologymap.h
  75. include/votca/csg/topologyreader.h
  76. include/votca/csg/trajectoryreader.h
  77. include/votca/csg/trajectorywriter.h
  78. include/votca/csg/triclinicbox.h
  79. include/votca/csg/triplelist.h
  80. include/votca/csg/units.h
  81. include/votca/csg/version.h
  82. include/votca/csg/xyzreader.h
  83. include/votca/csg/xyzwriter.h
  84. include/votca/tools/NDimVector.h
  85. include/votca/tools/akimaspline.h
  86. include/votca/tools/application.h
  87. include/votca/tools/average.h
  88. include/votca/tools/calculator.h
  89. include/votca/tools/colors.h
  90. include/votca/tools/constants.h
  91. include/votca/tools/correlate.h
  92. include/votca/tools/crosscorrelate.h
  93. include/votca/tools/cubicspline.h
  94. include/votca/tools/datacollection.h
  95. include/votca/tools/edge.h
  96. include/votca/tools/edgecontainer.h
  97. include/votca/tools/eigen.h
  98. include/votca/tools/eigenio_matrixmarket.h
  99. include/votca/tools/eigensystem.h
  100. include/votca/tools/elements.h
  101. include/votca/tools/filesystem.h
  102. include/votca/tools/floatingpointcomparison.h
  103. include/votca/tools/getline.h
  104. include/votca/tools/globals.h
  105. include/votca/tools/graph.h
  106. include/votca/tools/graph_bf_visitor.h
  107. include/votca/tools/graph_df_visitor.h
  108. include/votca/tools/graphalgorithm.h
  109. include/votca/tools/graphdistvisitor.h
  110. include/votca/tools/graphnode.h
  111. include/votca/tools/graphvisitor.h
  112. include/votca/tools/histogram.h
  113. include/votca/tools/histogramnew.h
  114. include/votca/tools/identity.h
  115. include/votca/tools/lexical_cast.h
  116. include/votca/tools/linalg.h
  117. include/votca/tools/linspline.h
  118. include/votca/tools/mutex.h
  119. include/votca/tools/name.h
  120. include/votca/tools/objectfactory.h
  121. include/votca/tools/optionshandler.h
  122. include/votca/tools/property.h
  123. include/votca/tools/propertyiomanipulator.h
  124. include/votca/tools/random.h
  125. include/votca/tools/rangeparser.h
  126. include/votca/tools/reducededge.h
  127. include/votca/tools/reducedgraph.h
  128. include/votca/tools/spline.h
  129. include/votca/tools/structureparameters.h
  130. include/votca/tools/table.h
  131. include/votca/tools/thread.h
  132. include/votca/tools/tokenizer.h
  133. include/votca/tools/types.h
  134. include/votca/tools/unitconverter.h
  135. include/votca/tools/version.h
  136. include/votca/tools/votca_tools_config.h
  137. include/votca/xtp/ERIs.h
  138. include/votca/xtp/GaussianQuadratureBase.h
  139. include/votca/xtp/ImaginaryAxisIntegration.h
  140. include/votca/xtp/IncrementalFockBuilder.h
  141. include/votca/xtp/IndexParser.h
  142. include/votca/xtp/activedensitymatrix.h
  143. include/votca/xtp/adiis.h
  144. include/votca/xtp/adiis_costfunction.h
  145. include/votca/xtp/amplitude_integration.h
  146. include/votca/xtp/anderson_mixing.h
  147. include/votca/xtp/aobasis.h
  148. include/votca/xtp/aomatrix.h
  149. include/votca/xtp/aopotential.h
  150. include/votca/xtp/aoshell.h
  151. include/votca/xtp/aotransform.h
  152. include/votca/xtp/atom.h
  153. include/votca/xtp/atomcontainer.h
  154. include/votca/xtp/basisset.h
  155. include/votca/xtp/bfgs_trm.h
  156. include/votca/xtp/bse.h
  157. include/votca/xtp/bse_operator.h
  158. include/votca/xtp/bse_population.h
  159. include/votca/xtp/bsecoupling.h
  160. include/votca/xtp/bseoperator_btda.h
  161. include/votca/xtp/calculatorfactory.h
  162. include/votca/xtp/chargecarrier.h
  163. include/votca/xtp/checkpoint.h
  164. include/votca/xtp/checkpoint_utils.h
  165. include/votca/xtp/checkpointreader.h
  166. include/votca/xtp/checkpointtable.h
  167. include/votca/xtp/checkpointwriter.h
  168. include/votca/xtp/classicalsegment.h
  169. include/votca/xtp/convergenceacc.h
  170. include/votca/xtp/couplingbase.h
  171. include/votca/xtp/cubefile_writer.h
  172. include/votca/xtp/cudamatrix.h
  173. include/votca/xtp/cudapipeline.h
  174. include/votca/xtp/davidsonsolver.h
  175. include/votca/xtp/density_integration.h
  176. include/votca/xtp/dftcoupling.h
  177. include/votca/xtp/dftengine.h
  178. include/votca/xtp/diis.h
  179. include/votca/xtp/dipoledipoleinteraction.h
  180. include/votca/xtp/ecpaobasis.h
  181. include/votca/xtp/ecpbasisset.h
  182. include/votca/xtp/eeinteractor.h
  183. include/votca/xtp/eigen.h
  184. include/votca/xtp/energy_terms.h
  185. include/votca/xtp/erdiabatization.h
  186. include/votca/xtp/esp2multipole.h
  187. include/votca/xtp/espfit.h
  188. include/votca/xtp/fcddiabatization.h
  189. include/votca/xtp/filterfactory.h
  190. include/votca/xtp/gaussianwriter.h
  191. include/votca/xtp/glink.h
  192. include/votca/xtp/gmhdiabatization.h
  193. include/votca/xtp/gnode.h
  194. include/votca/xtp/grid.h
  195. include/votca/xtp/grid_containers.h
  196. include/votca/xtp/gridbox.h
  197. include/votca/xtp/gw.h
  198. include/votca/xtp/gwbse.h
  199. include/votca/xtp/gwbseengine.h
  200. include/votca/xtp/gyration.h
  201. include/votca/xtp/hist.h
  202. include/votca/xtp/huffmantree.h
  203. include/votca/xtp/job.h
  204. include/votca/xtp/jobcalculator.h
  205. include/votca/xtp/jobcalculatorfactory.h
  206. include/votca/xtp/jobtopology.h
  207. include/votca/xtp/kmccalculator.h
  208. include/votca/xtp/logger.h
  209. include/votca/xtp/make_libint_work.h
  210. include/votca/xtp/matrixfreeoperator.h
  211. include/votca/xtp/md2qmengine.h
  212. include/votca/xtp/mmregion.h
  213. include/votca/xtp/molden.h
  214. include/votca/xtp/nbo.h
  215. include/votca/xtp/newton_rapson.h
  216. include/votca/xtp/openmp_cuda.h
  217. include/votca/xtp/optimiser_costfunction.h
  218. include/votca/xtp/orbitals.h
  219. include/votca/xtp/orbreorder.h
  220. include/votca/xtp/paircalculator.h
  221. include/votca/xtp/parallelxjobcalc.h
  222. include/votca/xtp/pmlocalization.h
  223. include/votca/xtp/polarregion.h
  224. include/votca/xtp/polarsite.h
  225. include/votca/xtp/populationanalysis.h
  226. include/votca/xtp/ppm.h
  227. include/votca/xtp/progressobserver.h
  228. include/votca/xtp/qmatom.h
  229. include/votca/xtp/qmcalculator.h
  230. include/votca/xtp/qmfragment.h
  231. include/votca/xtp/qmmolecule.h
  232. include/votca/xtp/qmnblist.h
  233. include/votca/xtp/qmpackage.h
  234. include/votca/xtp/qmpackagefactory.h
  235. include/votca/xtp/qmpair.h
  236. include/votca/xtp/qmregion.h
  237. include/votca/xtp/qmstate.h
  238. include/votca/xtp/qmthread.h
  239. include/votca/xtp/qmtool.h
  240. include/votca/xtp/quadrature_factory.h
  241. include/votca/xtp/radial_euler_maclaurin_rule.h
  242. include/votca/xtp/rate_engine.h
  243. include/votca/xtp/region.h
  244. include/votca/xtp/regular_grid.h
  245. include/votca/xtp/rpa.h
  246. include/votca/xtp/segid.h
  247. include/votca/xtp/segment.h
  248. include/votca/xtp/segmentmapper.h
  249. include/votca/xtp/sigma_base.h
  250. include/votca/xtp/sigmafactory.h
  251. include/votca/xtp/sphere_lebedev_rule.h
  252. include/votca/xtp/stateapplication.h
  253. include/votca/xtp/statefilter_base.h
  254. include/votca/xtp/statesaver.h
  255. include/votca/xtp/statetracker.h
  256. include/votca/xtp/staticregion.h
  257. include/votca/xtp/staticsite.h
  258. include/votca/xtp/symmetric_matrix.h
  259. include/votca/xtp/threecenter.h
  260. include/votca/xtp/toolfactory.h
  261. include/votca/xtp/topology.h
  262. include/votca/xtp/transition_densities.h
  263. include/votca/xtp/trustregion.h
  264. include/votca/xtp/vc2index.h
  265. include/votca/xtp/version.h
  266. include/votca/xtp/votca_xtp_config.h
  267. include/votca/xtp/vxc_functionals.h
  268. include/votca/xtp/vxc_grid.h
  269. include/votca/xtp/vxc_potential.h
  270. include/votca/xtp/xtpapplication.h
  271. lib/cmake/VOTCA_CSG/VOTCA_CSGConfig.cmake
  272. lib/cmake/VOTCA_CSG/VOTCA_CSGConfigVersion.cmake
  273. lib/cmake/VOTCA_CSG/VOTCA_CSG_Targets-release.cmake
  274. lib/cmake/VOTCA_CSG/VOTCA_CSG_Targets.cmake
  275. lib/cmake/VOTCA_TOOLS/FindFFTW3.cmake
  276. lib/cmake/VOTCA_TOOLS/VOTCA_TOOLSConfig.cmake
  277. lib/cmake/VOTCA_TOOLS/VOTCA_TOOLSConfigVersion.cmake
  278. lib/cmake/VOTCA_TOOLS/VOTCA_TOOLS_Targets-release.cmake
  279. lib/cmake/VOTCA_TOOLS/VOTCA_TOOLS_Targets.cmake
  280. lib/cmake/VOTCA_XTP/VOTCA_XTPConfig.cmake
  281. lib/cmake/VOTCA_XTP/VOTCA_XTPConfigVersion.cmake
  282. lib/cmake/VOTCA_XTP/VOTCA_XTP_Targets-release.cmake
  283. lib/cmake/VOTCA_XTP/VOTCA_XTP_Targets.cmake
  284. lib/libvotca_csg.so
  285. lib/libvotca_csg.so.2023
  286. lib/libvotca_tools.so
  287. lib/libvotca_tools.so.2023
  288. lib/libvotca_xtp.so
  289. lib/libvotca_xtp.so.2023
  290. share/man/man1/csg_boltzmann.1.gz
  291. share/man/man1/csg_call.1.gz
  292. share/man/man1/csg_density.1.gz
  293. share/man/man1/csg_dlptopol.1.gz
  294. share/man/man1/csg_dump.1.gz
  295. share/man/man1/csg_fluctuations.1.gz
  296. share/man/man1/csg_fmatch.1.gz
  297. share/man/man1/csg_gmxtopol.1.gz
  298. share/man/man1/csg_imc_solve.1.gz
  299. share/man/man1/csg_inverse.1.gz
  300. share/man/man1/csg_map.1.gz
  301. share/man/man1/csg_orientcorr.1.gz
  302. share/man/man1/csg_part_dist.1.gz
  303. share/man/man1/csg_partial_rdf.1.gz
  304. share/man/man1/csg_property.1.gz
  305. share/man/man1/csg_radii.1.gz
  306. share/man/man1/csg_resample.1.gz
  307. share/man/man1/csg_reupdate.1.gz
  308. share/man/man1/csg_sphericalorder.1.gz
  309. share/man/man1/csg_stat.1.gz
  310. share/man/man1/csg_traj_force.1.gz
  311. share/man/man1/votca_property.1.gz
  312. share/man/man1/xtp_autogen_mapping.1.gz
  313. share/man/man1/xtp_basisset.1.gz
  314. share/man/man1/xtp_map.1.gz
  315. share/man/man1/xtp_modify_jobfile.1.gz
  316. share/man/man1/xtp_parallel.1.gz
  317. share/man/man1/xtp_qmmm2qm.1.gz
  318. share/man/man1/xtp_run.1.gz
  319. share/man/man1/xtp_tools.1.gz
  320. share/man/man1/xtp_update_mapfile.1.gz
  321. share/man/man7/votca-csg.7.gz
  322. share/man/man7/votca-tools.7.gz
  323. share/votca/csg-tutorials/LJ1-LJ2/imc/LJ1-LJ1.dist.tgt
  324. share/votca/csg-tutorials/LJ1-LJ2/imc/LJ1-LJ2.dist.tgt
  325. share/votca/csg-tutorials/LJ1-LJ2/imc/LJ2-LJ2.dist.tgt
  326. share/votca/csg-tutorials/LJ1-LJ2/imc/conf.gro
  327. share/votca/csg-tutorials/LJ1-LJ2/imc/grompp.mdp
  328. share/votca/csg-tutorials/LJ1-LJ2/imc/index.ndx
  329. share/votca/csg-tutorials/LJ1-LJ2/imc/run.sh
  330. share/votca/csg-tutorials/LJ1-LJ2/imc/settings.xml
  331. share/votca/csg-tutorials/LJ1-LJ2/imc/settings_pre.xml
  332. share/votca/csg-tutorials/LJ1-LJ2/imc/svd.py
  333. share/votca/csg-tutorials/LJ1-LJ2/imc/table.xvg
  334. share/votca/csg-tutorials/LJ1-LJ2/imc/topol.top
  335. share/votca/csg-tutorials/README.rst
  336. share/votca/csg-tutorials/hexane/atomistic/Extract_Energies.sh
  337. share/votca/csg-tutorials/hexane/atomistic/boltzmann_cmds
  338. share/votca/csg-tutorials/hexane/atomistic/conf.gro
  339. share/votca/csg-tutorials/hexane/atomistic/grompp.mdp
  340. share/votca/csg-tutorials/hexane/atomistic/hexane.xml
  341. share/votca/csg-tutorials/hexane/atomistic/run.sh
  342. share/votca/csg-tutorials/hexane/atomistic/run_Boltzmann.sh
  343. share/votca/csg-tutorials/hexane/atomistic/settings.xml
  344. share/votca/csg-tutorials/hexane/atomistic/topol.top
  345. share/votca/csg-tutorials/hexane/force_matching/fmatch.xml
  346. share/votca/csg-tutorials/hexane/force_matching/hexane.xml
  347. share/votca/csg-tutorials/hexane/force_matching/run.sh
  348. share/votca/csg-tutorials/hexane/hybrid_force_matching/Extract_Energies.sh
  349. share/votca/csg-tutorials/hexane/hybrid_force_matching/README
  350. share/votca/csg-tutorials/hexane/hybrid_force_matching/fmatch.xml
  351. share/votca/csg-tutorials/hexane/hybrid_force_matching/hexane.xml
  352. share/votca/csg-tutorials/hexane/hybrid_force_matching/run.sh
  353. share/votca/csg-tutorials/hexane/hybrid_force_matching/topol.top
  354. share/votca/csg-tutorials/hexane/ibi_all/A-A.dist.tgt
  355. share/votca/csg-tutorials/hexane/ibi_all/A-B.dist.tgt
  356. share/votca/csg-tutorials/hexane/ibi_all/B-B.dist.tgt
  357. share/votca/csg-tutorials/hexane/ibi_all/Extract_Energies.sh
  358. share/votca/csg-tutorials/hexane/ibi_all/angle.dist.tgt
  359. share/votca/csg-tutorials/hexane/ibi_all/bond.dist.tgt
  360. share/votca/csg-tutorials/hexane/ibi_all/conf.gro
  361. share/votca/csg-tutorials/hexane/ibi_all/grompp.mdp
  362. share/votca/csg-tutorials/hexane/ibi_all/hexane_cg.xml
  363. share/votca/csg-tutorials/hexane/ibi_all/index.ndx
  364. share/votca/csg-tutorials/hexane/ibi_all/run.sh
  365. share/votca/csg-tutorials/hexane/ibi_all/settings.xml
  366. share/votca/csg-tutorials/hexane/ibi_all/table.xvg
  367. share/votca/csg-tutorials/hexane/ibi_all/topol.top
  368. share/votca/csg-tutorials/hexane/ibi_nonbonded/A-A.dist.tgt
  369. share/votca/csg-tutorials/hexane/ibi_nonbonded/A-B.dist.tgt
  370. share/votca/csg-tutorials/hexane/ibi_nonbonded/B-B.dist.tgt
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  1126. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.log
  1127. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.prop
  1128. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system_property.txt
  1129. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/system.xyz
  1130. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.engrad
  1131. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.gbw
  1132. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.inp
  1133. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.log
  1134. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.opt
  1135. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.prop
  1136. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.trj
  1137. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.xyz
  1138. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system_property.txt
  1139. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.engrad
  1140. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.gbw
  1141. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.inp
  1142. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.log
  1143. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.opt
  1144. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.prop
  1145. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.trj
  1146. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system.xyz
  1147. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/hole_opt/system_property.txt
  1148. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/thiophene_e.xyz
  1149. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/thiophene_h.xyz
  1150. share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/thiophene_n.xyz
  1151. share/votca/xtp-tutorials/LAMMPS/Thiophene/QMMM_LAMMPS.ipynb
  1152. share/votca/xtp-tutorials/LAMMPS/Thiophene/eqm.xml
  1153. share/votca/xtp-tutorials/LAMMPS/Thiophene/iqm.xml
  1154. share/votca/xtp-tutorials/LAMMPS/Thiophene/qmmm.jobs
  1155. share/votca/xtp-tutorials/LAMMPS/Thiophene/qmmm.xml
  1156. share/votca/xtp-tutorials/LAMMPS/Thiophene/qmmm_mm.xml
  1157. share/votca/xtp-tutorials/LAMMPS/Thiophene/system.xml
  1158. share/votca/xtp-tutorials/LICENSE
  1159. share/votca/xtp-tutorials/README.rst
  1160. share/votca/xtp-tutorials/clean_notebooks.sh
  1161. share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_e.mps
  1162. share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_h.mps
  1163. share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_n.mps
  1164. share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_n2s1.mps
  1165. share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_s1.mps
  1166. share/votca/xtp-tutorials/pyxtp/files_examples/dftgwbse.xml
  1167. share/votca/xtp-tutorials/pyxtp/files_examples/mapchecker.xml
  1168. share/votca/xtp-tutorials/pyxtp/files_examples/methane.orb
  1169. share/votca/xtp-tutorials/pyxtp/files_examples/methane.xyz
  1170. share/votca/xtp-tutorials/pyxtp/files_examples/methane_summary.xml
  1171. share/votca/xtp-tutorials/pyxtp/files_examples/state.hdf5
  1172. share/votca/xtp-tutorials/pyxtp/files_examples/system.xml
  1173. share/votca/xtp-tutorials/pyxtp/geometry_optimization.ipynb
  1174. share/votca/xtp-tutorials/pyxtp/scripts/run_energy.py
  1175. share/votca/xtp-tutorials/pyxtp/scripts/run_gradient.py
  1176. share/votca/xtp-tutorials/pyxtp/scripts/run_mapchecker.py
  1177. share/votca/xtp-tutorials/pyxtp/scripts/run_optimization.py
  1178. share/votca/xtp-tutorials/pyxtp/single_point.ipynb
  1179. share/votca/xtp-tutorials/tools/dftgwbse_CH4/DFTGWBSE_ENERGY.ipynb
  1180. share/votca/xtp-tutorials/tools/dftgwbse_CH4/dftgwbse2.xml
  1181. share/votca/xtp-tutorials/tools/dftgwbse_CH4/methane.xyz
  1182. share/votca/xtp-tutorials/tools/pyxtp/PYXTP.ipynb
  1183. share/votca/xtp/basis_sets/3-21G.xml
  1184. share/votca/xtp/basis_sets/6-311++G(2p,2d).xml
  1185. share/votca/xtp/basis_sets/6-311++G.xml
  1186. share/votca/xtp/basis_sets/6-311+G(2d,p).xml
  1187. share/votca/xtp/basis_sets/6-311+G**.xml
  1188. share/votca/xtp/basis_sets/6-311G.xml
  1189. share/votca/xtp/basis_sets/6-31G**.xml
  1190. share/votca/xtp/basis_sets/6-31G.xml
  1191. share/votca/xtp/basis_sets/Weigend_coulomb_fitting.xml
  1192. share/votca/xtp/basis_sets/ahlrichs_coulomb_fitting.xml
  1193. share/votca/xtp/basis_sets/aug-cc-pvdz.xml
  1194. share/votca/xtp/basis_sets/aug-cc-pvqz.xml
  1195. share/votca/xtp/basis_sets/aug-cc-pvtz.xml
  1196. share/votca/xtp/basis_sets/aux-aug-cc-pvdz.xml
  1197. share/votca/xtp/basis_sets/aux-aug-cc-pvqz.xml
  1198. share/votca/xtp/basis_sets/aux-aug-cc-pvtz.xml
  1199. share/votca/xtp/basis_sets/aux-cc-pv5z.xml
  1200. share/votca/xtp/basis_sets/aux-cc-pvdz.xml
  1201. share/votca/xtp/basis_sets/aux-cc-pvqz.xml
  1202. share/votca/xtp/basis_sets/aux-cc-pvtz.xml
  1203. share/votca/xtp/basis_sets/aux-def2-qzvp.xml
  1204. share/votca/xtp/basis_sets/aux-def2-qzvpp.xml
  1205. share/votca/xtp/basis_sets/aux-def2-qzvppd.xml
  1206. share/votca/xtp/basis_sets/aux-def2-sv(p).xml
  1207. share/votca/xtp/basis_sets/aux-def2-svp.xml
  1208. share/votca/xtp/basis_sets/aux-def2-svpd.xml
  1209. share/votca/xtp/basis_sets/aux-def2-tzvp.xml
  1210. share/votca/xtp/basis_sets/aux-def2-tzvpd.xml
  1211. share/votca/xtp/basis_sets/aux-def2-tzvpp.xml
  1212. share/votca/xtp/basis_sets/aux-def2-tzvppd.xml
  1213. share/votca/xtp/basis_sets/aux-ubecppol.xml
  1214. share/votca/xtp/basis_sets/aux-ubecppol_0.2.xml
  1215. share/votca/xtp/basis_sets/cc-pvdz.xml
  1216. share/votca/xtp/basis_sets/cc-pvqz.xml
  1217. share/votca/xtp/basis_sets/cc-pvtz.xml
  1218. share/votca/xtp/basis_sets/def2-qzvp-ecp.xml
  1219. share/votca/xtp/basis_sets/def2-qzvp.xml
  1220. share/votca/xtp/basis_sets/def2-qzvpd.xml
  1221. share/votca/xtp/basis_sets/def2-qzvpp-ecp.xml
  1222. share/votca/xtp/basis_sets/def2-qzvpp.xml
  1223. share/votca/xtp/basis_sets/def2-qzvppd.xml
  1224. share/votca/xtp/basis_sets/def2-sv(p).xml
  1225. share/votca/xtp/basis_sets/def2-svp.xml
  1226. share/votca/xtp/basis_sets/def2-svpd.xml
  1227. share/votca/xtp/basis_sets/def2-tzvp-ecp.xml
  1228. share/votca/xtp/basis_sets/def2-tzvp.xml
  1229. share/votca/xtp/basis_sets/def2-tzvpd.xml
  1230. share/votca/xtp/basis_sets/def2-tzvpp-ecp.xml
  1231. share/votca/xtp/basis_sets/def2-tzvpp.xml
  1232. share/votca/xtp/basis_sets/def2-tzvppd.xml
  1233. share/votca/xtp/basis_sets/optaux-aug-cc-pvdz.xml
  1234. share/votca/xtp/basis_sets/optaux-aug-cc-pvqz.xml
  1235. share/votca/xtp/basis_sets/optaux-aug-cc-pvtz.xml
  1236. share/votca/xtp/basis_sets/ubecp.xml
  1237. share/votca/xtp/basis_sets/ubecppol.xml
  1238. share/votca/xtp/basis_sets/ubecppoldiff.xml
  1239. share/votca/xtp/basis_sets/ubecppoldiff_s.xml
  1240. share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Anthracene.xyz
  1241. share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Benzene.xyz
  1242. share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Decacene.xyz
  1243. share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Heptacene.xyz
  1244. share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Hexacene.xyz
  1245. share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Naphthalene.xyz
  1246. share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Nonacene.xyz
  1247. share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Octacene.xyz
  1248. share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Pentacene.xyz
  1249. share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Tetracene.xyz
  1250. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/acetamide.xyz
  1251. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/acetone.xyz
  1252. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/benzoquinone.xyz
  1253. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/formaldehyde.xyz
  1254. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/formamide.xyz
  1255. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/propanamide.xyz
  1256. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/benzene.xyz
  1257. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/furan.xyz
  1258. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/imidazole.xyz
  1259. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/naphthalene.xyz
  1260. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrazine.xyz
  1261. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridazine.xyz
  1262. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridine.xyz
  1263. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrimidine.xyz
  1264. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrrole.xyz
  1265. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/tetrazine.xyz
  1266. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/triazine.xyz
  1267. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/adenine.xyz
  1268. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/cytosine.xyz
  1269. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/thymine.xyz
  1270. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/uracil.xyz
  1271. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/butadiene.xyz
  1272. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopentadiene.xyz
  1273. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopropene.xyz
  1274. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/ethene.xyz
  1275. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/hexatriene.xyz
  1276. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/norbornadiene.xyz
  1277. share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/octatetraene.xyz
  1278. share/votca/xtp/benchmark/xtp_benchmark
  1279. share/votca/xtp/ecps/CRENBL_ECP.xml
  1280. share/votca/xtp/ecps/ECP2SDF.xml
  1281. share/votca/xtp/ecps/SBKJC_ECP.xml
  1282. share/votca/xtp/ecps/corelevels.xml
  1283. share/votca/xtp/ecps/def2-ecp.xml
  1284. share/votca/xtp/ecps/ecp.xml
  1285. share/votca/xtp/xml/apdft.xml
  1286. share/votca/xtp/xml/coupling.xml
  1287. share/votca/xtp/xml/densityanalysis.xml
  1288. share/votca/xtp/xml/dftgwbse.xml
  1289. share/votca/xtp/xml/diabatization.xml
  1290. share/votca/xtp/xml/eanalyze.xml
  1291. share/votca/xtp/xml/einternal.xml
  1292. share/votca/xtp/xml/eqm.xml
  1293. share/votca/xtp/xml/excitoncoupling.xml
  1294. share/votca/xtp/xml/gencube.xml
  1295. share/votca/xtp/xml/gpu_benchmark.xml
  1296. share/votca/xtp/xml/ianalyze.xml
  1297. share/votca/xtp/xml/iexcitoncl.xml
  1298. share/votca/xtp/xml/iqm.xml
  1299. share/votca/xtp/xml/kmclifetime.xml
  1300. share/votca/xtp/xml/kmcmultiple.xml
  1301. share/votca/xtp/xml/log2mps.xml
  1302. share/votca/xtp/xml/mapchecker.xml
  1303. share/votca/xtp/xml/mol2orb.xml
  1304. share/votca/xtp/xml/molpol.xml
  1305. share/votca/xtp/xml/neighborlist.xml
  1306. share/votca/xtp/xml/orb2fchk.xml
  1307. share/votca/xtp/xml/orb2mol.xml
  1308. share/votca/xtp/xml/partialcharges.xml
  1309. share/votca/xtp/xml/qmmm.xml
  1310. share/votca/xtp/xml/spectrum.xml
  1311. share/votca/xtp/xml/subpackages/bsecoupling.xml
  1312. share/votca/xtp/xml/subpackages/dftcoupling.xml
  1313. share/votca/xtp/xml/subpackages/dftpackage.xml
  1314. share/votca/xtp/xml/subpackages/esp2multipole.xml
  1315. share/votca/xtp/xml/subpackages/gwbse.xml
  1316. share/votca/xtp/xml/subpackages/localize.xml
  1317. share/votca/xtp/xml/subpackages/polar.xml
  1318. share/votca/xtp/xml/subpackages/region.xml
  1319. share/votca/xtp/xml/subpackages/statetracker.xml
  1320. share/votca/xtp/xml/vaverage.xml
  1321. @dir share/votca/xtp-tutorials/share/doc
  1322. @owner
  1323. @group
  1324. @mode
Collapse this list.
Dependency lines:
  • votca>0:science/votca
To install the port:
cd /usr/ports/science/votca/ && make install clean
To add the package, run one of these commands:
  • pkg install science/votca
  • pkg install votca
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: votca
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1700276734 SHA256 (votca-votca-v2023_GH0.tar.gz) = ac78d2eb5a6694b76878d2ab1ec86bb161765143a447cc23905cdcb2bb6743be SIZE (votca-votca-v2023_GH0.tar.gz) = 38975119

Packages (timestamps in pop-ups are UTC):
votca
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-2023_1------
FreeBSD:13:quarterly-2023------
FreeBSD:14:latest--------
FreeBSD:14:quarterly--------
FreeBSD:15:latest--n/a-n/a---
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. bash : shells/bash
  2. lmp : science/lammps
  3. py39-ase>0 : science/py-ase@py39
  4. py39-h5py>0 : science/py-h5py@py39
  5. py39-lxml>0 : devel/py-lxml@py39
  6. py39-xmltodict>0 : devel/py-xmltodict@py39
  7. rdkit>0 : science/rdkit
  8. cmake : devel/cmake-core
  9. ninja : devel/ninja
  10. eigen3.pc : math/eigen3
  11. pkgconf>=1.3.0_1 : devel/pkgconf
  12. perl5>=5.36<5.37 : lang/perl5.36
Test dependencies:
  1. py39-pytest>0 : devel/py-pytest@py39
Runtime dependencies:
  1. bash : shells/bash
  2. py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
  3. py39-ase>0 : science/py-ase@py39
  4. py39-h5py>0 : science/py-h5py@py39
  5. py39-lxml>0 : devel/py-lxml@py39
  6. py39-xmltodict>0 : devel/py-xmltodict@py39
  7. rdkit>0 : science/rdkit
  8. python3.9 : lang/python39
  9. perl5>=5.36<5.37 : lang/perl5.36
Library dependencies:
  1. libboost_program_options.so : devel/boost-libs
  2. libecpint.so : science/libecpint
  3. libexpat.so : textproc/expat2
  4. libfftw3.so : math/fftw3
  5. libgromacs_d.so : science/gromacs
  6. libhdf5.so : science/hdf5
  7. libint2.so : science/libint2
  8. libsz.so : science/libaec
  9. libxc.so : science/libxc
There are no ports dependent upon this port

Configuration Options:
===> The following configuration options are available for votca-2023_1: APPS=on: Build applications ===> Use 'make config' to modify these settings
Options name:
science_votca
USES:
cmake compiler:c++14-lang eigen:3 perl5 pkgconfig python:run shebangfix
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/votca/votca/tar.gz/v2023?dummy=/
Collapse this list.

Number of commits found: 35

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
2023_1
13 Feb 2024 14:44:22
commit hash: db616534ff99d6268997e2f30858891e20641a1ecommit hash: db616534ff99d6268997e2f30858891e20641a1ecommit hash: db616534ff99d6268997e2f30858891e20641a1ecommit hash: db616534ff99d6268997e2f30858891e20641a1e files touched by this commit
Dima Panov (fluffy) search for other commits by this committer
devel/boost: bump consumers after library update
2023
14 Dec 2023 02:13:24
commit hash: bd628760e02616c45e2e7b87723a2346656710fdcommit hash: bd628760e02616c45e2e7b87723a2346656710fdcommit hash: bd628760e02616c45e2e7b87723a2346656710fdcommit hash: bd628760e02616c45e2e7b87723a2346656710fd files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/votca: Fix build by fixing plist

Reported by:	fallout
2023
19 Nov 2023 09:36:25
commit hash: 423db3f5b02b6e269946e7ee90be6bfcf542b329commit hash: 423db3f5b02b6e269946e7ee90be6bfcf542b329commit hash: 423db3f5b02b6e269946e7ee90be6bfcf542b329commit hash: 423db3f5b02b6e269946e7ee90be6bfcf542b329 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/votca: update 2022.1 → 2023

Reported by:	portscout
2022.1_1
14 Oct 2023 17:38:19
commit hash: 744d2334a25046ed65a47331b711194fcce877f3commit hash: 744d2334a25046ed65a47331b711194fcce877f3commit hash: 744d2334a25046ed65a47331b711194fcce877f3commit hash: 744d2334a25046ed65a47331b711194fcce877f3 files touched by this commit
Daniel Engberg (diizzy) search for other commits by this committer
science/votca: Partially fix build

Define BOOST_TIMER_ENABLE_DEPRECATED in CXXFLAGS to avoid build failure
with newer versions of Boost library

Poudriere reports filesystem violations in usr/local/share/libint

PR:		274437
Reviewed by:	yuri (maintainer)
2022.1_1
27 Sep 2023 14:36:30
commit hash: 21d8008e86830262f2a33a6dca9ddf2478cd6487commit hash: 21d8008e86830262f2a33a6dca9ddf2478cd6487commit hash: 21d8008e86830262f2a33a6dca9ddf2478cd6487commit hash: 21d8008e86830262f2a33a6dca9ddf2478cd6487 files touched by this commit
Dima Panov (fluffy) search for other commits by this committer
devel/boost*: bump all consumers after 1.83.0
2022.1
07 Jun 2023 04:45:25
commit hash: b6dc8438b6b355fc38381ada231044bca37300a7commit hash: b6dc8438b6b355fc38381ada231044bca37300a7commit hash: b6dc8438b6b355fc38381ada231044bca37300a7commit hash: b6dc8438b6b355fc38381ada231044bca37300a7 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/votca: Update 2022 → 2022.1

Reported by:	portscout
2022_8
27 Apr 2023 18:25:55
commit hash: 3e45e8e24481fab02384c55a1e655d1dc1b781c6commit hash: 3e45e8e24481fab02384c55a1e655d1dc1b781c6commit hash: 3e45e8e24481fab02384c55a1e655d1dc1b781c6commit hash: 3e45e8e24481fab02384c55a1e655d1dc1b781c6 files touched by this commit
Dima Panov (fluffy) search for other commits by this committer
*/*: bump all direct Boost cunsumers
2022_7
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_6
16 Jan 2023 19:32:07
commit hash: e1287d0d1228d93e469256fa6c4c824b9d20426bcommit hash: e1287d0d1228d93e469256fa6c4c824b9d20426bcommit hash: e1287d0d1228d93e469256fa6c4c824b9d20426bcommit hash: e1287d0d1228d93e469256fa6c4c824b9d20426b files touched by this commit
Dima Panov (fluffy) search for other commits by this committer
*/*:	bump libboost*.so libraries consumert after Boost upgrade
2022_5
05 Nov 2022 14:47:18
commit hash: cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash: cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash: cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash: cceff449fd65e82dae764ff16b72000d1cd0454b files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
science/*: bump PORTREVISION in consumers of libXC
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_4
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_4
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_3
20 Jul 2022 14:35:24
commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35commit hash: 5564b3b420db29745d2d4981d1963200ddf53e35 files touched by this commit
Tobias C. Berner (tcberner) search for other commits by this committer
science/hdf5: bump PORTREVISION of consumers

The SO-version increased in the update to 1.12.2 in
a43418b81530f7e897abfbe18dd59f44265a1a0f .

Reported by:	VVD <vvd@unislabs.com>
2022_2
18 Jul 2022 12:51:29
commit hash: d98decf4c6f7a8d92e742a8fd7b7795818a0904fcommit hash: d98decf4c6f7a8d92e742a8fd7b7795818a0904fcommit hash: d98decf4c6f7a8d92e742a8fd7b7795818a0904fcommit hash: d98decf4c6f7a8d92e742a8fd7b7795818a0904f files touched by this commit
Po-Chuan Hsieh (sunpoet) search for other commits by this committer
science/votca: Fix build with HDF5 1.12.0+
2022_2
16 Jun 2022 15:13:01
commit hash: 328ae4074233a5b85e0e38efece1af5dcc218160commit hash: 328ae4074233a5b85e0e38efece1af5dcc218160commit hash: 328ae4074233a5b85e0e38efece1af5dcc218160commit hash: 328ae4074233a5b85e0e38efece1af5dcc218160 files touched by this commit
Po-Chuan Hsieh (sunpoet) search for other commits by this committer
*/*: Replace science/szip with science/libaec

- Bump PORTREVISION of dependent ports for dependency change

szip does not allow redistribution in binary form without proper commercial
license. Its LICENSE_PERMS should be set to no-auto-accept which blocks building
this port, therefore building dependent ports are also blocked. Switch all
dependent ports to science/libaec to avoid conflicts and license issue.

PR:		228743, 246097, 250165
2022_1
22 May 2022 20:17:16
commit hash: b082b3d13e8c4872b73fb681eb99b261926ac9cdcommit hash: b082b3d13e8c4872b73fb681eb99b261926ac9cdcommit hash: b082b3d13e8c4872b73fb681eb99b261926ac9cdcommit hash: b082b3d13e8c4872b73fb681eb99b261926ac9cd files touched by this commit
Dima Panov (fluffy) search for other commits by this committer
devel/boost-all: bump all library consumers after boost upgrade

PR:	246106
2022
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
25 Jan 2022 07:52:16
commit hash: b07d5299192a7d1979e0fdfbe3926f81fb686eb8commit hash: b07d5299192a7d1979e0fdfbe3926f81fb686eb8commit hash: b07d5299192a7d1979e0fdfbe3926f81fb686eb8commit hash: b07d5299192a7d1979e0fdfbe3926f81fb686eb8 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/votca: Fix tests
2022
24 Jan 2022 21:28:00
commit hash: 322c0325932a5a2f6ed89821f82f27a3edddef8fcommit hash: 322c0325932a5a2f6ed89821f82f27a3edddef8fcommit hash: 322c0325932a5a2f6ed89821f82f27a3edddef8fcommit hash: 322c0325932a5a2f6ed89821f82f27a3edddef8f files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/votca: Update 2021.2-18560 -> 2022

Reported by:	portscout
2021.2.18560
29 Sep 2021 00:49:03
commit hash: 8eac9dc021cfbd1073894448cb07edb922954585commit hash: 8eac9dc021cfbd1073894448cb07edb922954585commit hash: 8eac9dc021cfbd1073894448cb07edb922954585commit hash: 8eac9dc021cfbd1073894448cb07edb922954585 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/votca: Update 2021.2 -> 2021.2-18560

This fixed 6 failing testcases. The patch fixing these testcases
doesn't apply to 2021.2, so the port is updated to the latest
commit.
2021.2
24 Sep 2021 02:04:20
commit hash: fae27f575deb8a4f41c2fb0679a1eb74a1704f7ecommit hash: fae27f575deb8a4f41c2fb0679a1eb74a1704f7ecommit hash: fae27f575deb8a4f41c2fb0679a1eb74a1704f7ecommit hash: fae27f575deb8a4f41c2fb0679a1eb74a1704f7e files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/votca: Update 2021.1 -> 2021.2

Reported by:	portscout
2021.1
19 Jul 2021 00:49:20
commit hash: 08fcb6c859c194e67a6421e230ce0e80bb6700efcommit hash: 08fcb6c859c194e67a6421e230ce0e80bb6700efcommit hash: 08fcb6c859c194e67a6421e230ce0e80bb6700efcommit hash: 08fcb6c859c194e67a6421e230ce0e80bb6700ef files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/votca: Update 2021 -> 2021.1

Reported by:	portscout
2021
07 Apr 2021 08:09:01
commit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455c files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
2021
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
14 Mar 2021 07:38:07
Revision:568364Original commit files touched by this commit
yuri search for other commits by this committer
science/votca: Update 1.6.3 -> 2021

Reported by:	portscout
1.6.3
18 Dec 2020 05:40:58
Revision:558351Original commit files touched by this commit
yuri search for other commits by this committer
science/votca: Update 1.6.2 -> 1.6.3
1.6.2_1
12 Dec 2020 17:04:37
Revision:557839Original commit files touched by this commit
thierry search for other commits by this committer
- Upgrade math/eigen3 to 3.3.8;

- Add some dependencies which might be detected by Find_Package but not
registered;

- Bump PORTREVISION of consumers.

PR:		250833
Submitted by:	/me
Approved by:	tcberner@ (KDE / maintainer) + exp-run
1.6.2
29 Aug 2020 18:44:12
Revision:546934Original commit files touched by this commit
yuri search for other commits by this committer
science/votca: Update 1.6.1 -> 1.6.2

Reported by:	portscout
1.6.1
24 Jun 2020 02:07:29
Revision:540011Original commit files touched by this commit
yuri search for other commits by this committer
science/votca: Update 1.6 -> 1.6.1

Reported by:	portscout
1.6_1
17 Jun 2020 01:57:30
Revision:539398Original commit files touched by this commit
yuri search for other commits by this committer
science/votca: Revert unintended changes
1.6_1
17 Jun 2020 01:54:26
Revision:539397Original commit files touched by this commit
yuri search for other commits by this committer
science/votca: Broken on i386

Reported by:	fallout
1.6_1
06 May 2020 12:04:05
Revision:534168Original commit files touched by this commit
linimon search for other commits by this committer
Add compiler:c++14-lang to USES to fix build on GCC-based systems:

  Target "cmTC_057ba" requires the language dialect "CXX14" , but CMake does
  not know the compile flags to use to enable it.

Approved by:	portmgr (tier-2 blanket)
1.6_1
05 May 2020 05:13:52
Revision:534024Original commit files touched by this commit
yuri search for other commits by this committer
science/votca: Enable the XTP library
1.6
05 May 2020 01:19:23
Revision:534004Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/votca: CSG and XTP: libraries for atomistic simulations

Number of commits found: 35