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Port details on branch 2022Q2
openbabel Chemical toolbox designed to speak the many languages of chemical data
3.1.1_4 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 3.1.1_4Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-04-24 04:16:20
Last Update: 2022-04-10 19:47:23
Commit Hash: 035e778
License: GPLv2+
WWW:
https://openbabel.org/wiki/Main_Page
Description:
Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling and computational chemistry. Features currently include: * A huge variety of common chemical file formats * Recognition of file type based on filename extension * SMARTS matcher * Flexible atom typer * Gasteiger partial charge calculation * Hydrogen addition and deletion * Automatic feature perception (rings, hybridization, aromaticity) * Multiple conformer storage within molecules * Command line interface development class * Bitvector class * Open-source/Free Software under the GNU General Public License * Cross platform (Windows, Linux, Mac OS X, SGI, Solaris, Dreamcast...) WWW: https://openbabel.org/wiki/Main_Page
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb - no subversion history for this port

Manual pages:
pkg-plist: as obtained via: make generate-plist
Expand this list (342 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/openbabel-3.1.1_4/catalog.mk
  3. /usr/local/share/licenses/openbabel-3.1.1_4/LICENSE
  4. /usr/local/share/licenses/openbabel-3.1.1_4/GPLv2+
  5. bin/obabel
  6. bin/obconformer
  7. bin/obdistgen
  8. bin/obenergy
  9. bin/obfit
  10. bin/obfitall
  11. bin/obgen
  12. bin/obgrep
  13. bin/obgui
  14. bin/obminimize
  15. bin/obmm
  16. bin/obprobe
  17. bin/obprop
  18. bin/obrms
  19. bin/obrotamer
  20. bin/obrotate
  21. bin/obspectrophore
  22. bin/obsym
  23. bin/obtautomer
  24. bin/obthermo
  25. bin/roundtrip
  26. include/inchi/inchi_api.h
  27. include/openbabel3/LBFGS.h
  28. include/openbabel3/LBFGS/LineSearchBacktracking.h
  29. include/openbabel3/LBFGS/LineSearchBracketing.h
  30. include/openbabel3/LBFGS/LineSearchNocedalWright.h
  31. include/openbabel3/LBFGS/Param.h
  32. include/openbabel3/openbabel/alias.h
  33. include/openbabel3/openbabel/atom.h
  34. include/openbabel3/openbabel/babelconfig.h
  35. include/openbabel3/openbabel/base.h
  36. include/openbabel3/openbabel/bitvec.h
  37. include/openbabel3/openbabel/bond.h
  38. include/openbabel3/openbabel/bondtyper.h
  39. include/openbabel3/openbabel/builder.h
  40. include/openbabel3/openbabel/canon.h
  41. include/openbabel3/openbabel/chains.h
  42. include/openbabel3/openbabel/chargemodel.h
  43. include/openbabel3/openbabel/chemdrawcdx.h
  44. include/openbabel3/openbabel/conformersearch.h
  45. include/openbabel3/openbabel/data.h
  46. include/openbabel3/openbabel/data_utilities.h
  47. include/openbabel3/openbabel/depict/asciipainter.h
  48. include/openbabel3/openbabel/depict/cairopainter.h
  49. include/openbabel3/openbabel/depict/commandpainter.h
  50. include/openbabel3/openbabel/depict/depict.h
  51. include/openbabel3/openbabel/depict/painter.h
  52. include/openbabel3/openbabel/depict/svgpainter.h
  53. include/openbabel3/openbabel/descriptor.h
  54. include/openbabel3/openbabel/distgeom.h
  55. include/openbabel3/openbabel/dlhandler.h
  56. include/openbabel3/openbabel/elements.h
  57. include/openbabel3/openbabel/fingerprint.h
  58. include/openbabel3/openbabel/forcefield.h
  59. include/openbabel3/openbabel/format.h
  60. include/openbabel3/openbabel/generic.h
  61. include/openbabel3/openbabel/graphsym.h
  62. include/openbabel3/openbabel/grid.h
  63. include/openbabel3/openbabel/griddata.h
  64. include/openbabel3/openbabel/groupcontrib.h
  65. include/openbabel3/openbabel/inchiformat.h
  66. include/openbabel3/openbabel/internalcoord.h
  67. include/openbabel3/openbabel/isomorphism.h
  68. include/openbabel3/openbabel/json.h
  69. include/openbabel3/openbabel/kekulize.h
  70. include/openbabel3/openbabel/kinetics.h
  71. include/openbabel3/openbabel/lineend.h
  72. include/openbabel3/openbabel/locale.h
  73. include/openbabel3/openbabel/math/align.h
  74. include/openbabel3/openbabel/math/erf.h
  75. include/openbabel3/openbabel/math/matrix3x3.h
  76. include/openbabel3/openbabel/math/spacegroup.h
  77. include/openbabel3/openbabel/math/transform3d.h
  78. include/openbabel3/openbabel/math/vector3.h
  79. include/openbabel3/openbabel/matrix.h
  80. include/openbabel3/openbabel/mcdlutil.h
  81. include/openbabel3/openbabel/mol.h
  82. include/openbabel3/openbabel/molchrg.h
  83. include/openbabel3/openbabel/obconversion.h
  84. include/openbabel3/openbabel/oberror.h
  85. include/openbabel3/openbabel/obfunctions.h
  86. include/openbabel3/openbabel/obiter.h
  87. include/openbabel3/openbabel/obmolecformat.h
  88. include/openbabel3/openbabel/obutil.h
  89. include/openbabel3/openbabel/op.h
  90. include/openbabel3/openbabel/optransform.h
  91. include/openbabel3/openbabel/parsmart.h
  92. include/openbabel3/openbabel/patty.h
  93. include/openbabel3/openbabel/phmodel.h
  94. include/openbabel3/openbabel/plugin.h
  95. include/openbabel3/openbabel/pointgroup.h
  96. include/openbabel3/openbabel/query.h
  97. include/openbabel3/openbabel/reaction.h
  98. include/openbabel3/openbabel/reactionfacade.h
  99. include/openbabel3/openbabel/residue.h
  100. include/openbabel3/openbabel/ring.h
  101. include/openbabel3/openbabel/rotamer.h
  102. include/openbabel3/openbabel/rotor.h
  103. include/openbabel3/openbabel/shared_ptr.h
  104. include/openbabel3/openbabel/spectrophore.h
  105. include/openbabel3/openbabel/stereo/bindings.h
  106. include/openbabel3/openbabel/stereo/cistrans.h
  107. include/openbabel3/openbabel/stereo/squareplanar.h
  108. include/openbabel3/openbabel/stereo/stereo.h
  109. include/openbabel3/openbabel/stereo/tetrahedral.h
  110. include/openbabel3/openbabel/stereo/tetranonplanar.h
  111. include/openbabel3/openbabel/stereo/tetraplanar.h
  112. include/openbabel3/openbabel/tautomer.h
  113. include/openbabel3/openbabel/text.h
  114. include/openbabel3/openbabel/tokenst.h
  115. include/openbabel3/openbabel/typer.h
  116. include/openbabel3/openbabel/xml.h
  117. lib/cmake/openbabel3/OpenBabel3Config.cmake
  118. lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake
  119. lib/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake
  120. lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
  121. lib/libinchi.so
  122. lib/libinchi.so.0
  123. lib/libinchi.so.0.4.1
  124. lib/libopenbabel.so
  125. lib/libopenbabel.so.7
  126. lib/libopenbabel.so.7.0.0
  127. lib/openbabel/3.1.0/APIInterface.so
  128. lib/openbabel/3.1.0/CSRformat.so
  129. lib/openbabel/3.1.0/MCDLformat.so
  130. lib/openbabel/3.1.0/MNAformat.so
  131. lib/openbabel/3.1.0/PQSformat.so
  132. lib/openbabel/3.1.0/abinitformat.so
  133. lib/openbabel/3.1.0/acesformat.so
  134. lib/openbabel/3.1.0/acrformat.so
  135. lib/openbabel/3.1.0/adfformat.so
  136. lib/openbabel/3.1.0/alchemyformat.so
  137. lib/openbabel/3.1.0/amberformat.so
  138. lib/openbabel/3.1.0/aoforceformat.so
  139. lib/openbabel/3.1.0/asciiformat.so
  140. lib/openbabel/3.1.0/balstformat.so
  141. lib/openbabel/3.1.0/bgfformat.so
  142. lib/openbabel/3.1.0/boxformat.so
  143. lib/openbabel/3.1.0/cacaoformat.so
  144. lib/openbabel/3.1.0/cacheformat.so
  145. lib/openbabel/3.1.0/carformat.so
  146. lib/openbabel/3.1.0/castepformat.so
  147. lib/openbabel/3.1.0/cccformat.so
  148. lib/openbabel/3.1.0/cdxmlformat.so
  149. lib/openbabel/3.1.0/chem3dformat.so
  150. lib/openbabel/3.1.0/chemdoodlejsonformat.so
  151. lib/openbabel/3.1.0/chemdrawcdx.so
  152. lib/openbabel/3.1.0/chemdrawct.so
  153. lib/openbabel/3.1.0/chemkinformat.so
  154. lib/openbabel/3.1.0/chemtoolformat.so
  155. lib/openbabel/3.1.0/cifformat.so
  156. lib/openbabel/3.1.0/cmlformat.so
  157. lib/openbabel/3.1.0/cmlreactformat.so
  158. lib/openbabel/3.1.0/cofformat.so
  159. lib/openbabel/3.1.0/confabreport.so
  160. lib/openbabel/3.1.0/copyformat.so
  161. lib/openbabel/3.1.0/crkformat.so
  162. lib/openbabel/3.1.0/crystal09format.so
  163. lib/openbabel/3.1.0/cssrformat.so
  164. lib/openbabel/3.1.0/daltonformat.so
  165. lib/openbabel/3.1.0/dlpolyformat.so
  166. lib/openbabel/3.1.0/dmolformat.so
  167. lib/openbabel/3.1.0/exyzformat.so
  168. lib/openbabel/3.1.0/fastaformat.so
  169. lib/openbabel/3.1.0/fastsearchformat.so
  170. lib/openbabel/3.1.0/fchkformat.so
  171. lib/openbabel/3.1.0/featformat.so
  172. lib/openbabel/3.1.0/fhformat.so
  173. lib/openbabel/3.1.0/fhiaimsformat.so
  174. lib/openbabel/3.1.0/fingerprintformat.so
  175. lib/openbabel/3.1.0/fpsformat.so
  176. lib/openbabel/3.1.0/freefracformat.so
  177. lib/openbabel/3.1.0/gamessformat.so
  178. lib/openbabel/3.1.0/gamessukformat.so
  179. lib/openbabel/3.1.0/gausscubeformat.so
  180. lib/openbabel/3.1.0/gaussformat.so
  181. lib/openbabel/3.1.0/gausszmatformat.so
  182. lib/openbabel/3.1.0/ghemicalformat.so
  183. lib/openbabel/3.1.0/groformat.so
  184. lib/openbabel/3.1.0/gromos96format.so
  185. lib/openbabel/3.1.0/gulpformat.so
  186. lib/openbabel/3.1.0/hinformat.so
  187. lib/openbabel/3.1.0/inchiformat.so
  188. lib/openbabel/3.1.0/jaguarformat.so
  189. lib/openbabel/3.1.0/lmpdatformat.so
  190. lib/openbabel/3.1.0/lpmdformat.so
  191. lib/openbabel/3.1.0/maeformat.so
  192. lib/openbabel/3.1.0/mdffformat.so
  193. lib/openbabel/3.1.0/mdlformat.so
  194. lib/openbabel/3.1.0/mmcifformat.so
  195. lib/openbabel/3.1.0/mmodformat.so
  196. lib/openbabel/3.1.0/mol2format.so
  197. lib/openbabel/3.1.0/moldenformat.so
  198. lib/openbabel/3.1.0/molproformat.so
  199. lib/openbabel/3.1.0/molreport.so
  200. lib/openbabel/3.1.0/mopacformat.so
  201. lib/openbabel/3.1.0/mpdformat.so
  202. lib/openbabel/3.1.0/mpqcformat.so
  203. lib/openbabel/3.1.0/msiformat.so
  204. lib/openbabel/3.1.0/msmsformat.so
  205. lib/openbabel/3.1.0/nulformat.so
  206. lib/openbabel/3.1.0/nwchemformat.so
  207. lib/openbabel/3.1.0/opendxformat.so
  208. lib/openbabel/3.1.0/orcaformat.so
  209. lib/openbabel/3.1.0/outformat.so
  210. lib/openbabel/3.1.0/painterformat.so
  211. lib/openbabel/3.1.0/pcmodelformat.so
  212. lib/openbabel/3.1.0/pdbformat.so
  213. lib/openbabel/3.1.0/pdbqtformat.so
  214. lib/openbabel/3.1.0/plugin_charges.so
  215. lib/openbabel/3.1.0/plugin_descriptors.so
  216. lib/openbabel/3.1.0/plugin_fingerprints.so
  217. lib/openbabel/3.1.0/plugin_forcefields.so
  218. lib/openbabel/3.1.0/plugin_ops.so
  219. lib/openbabel/3.1.0/png2format.so
  220. lib/openbabel/3.1.0/pngformat.so
  221. lib/openbabel/3.1.0/pointcloudformat.so
  222. lib/openbabel/3.1.0/posformat.so
  223. lib/openbabel/3.1.0/povrayformat.so
  224. lib/openbabel/3.1.0/pqrformat.so
  225. lib/openbabel/3.1.0/pubchem.so
  226. lib/openbabel/3.1.0/pubchemjsonformat.so
  227. lib/openbabel/3.1.0/pwscfformat.so
  228. lib/openbabel/3.1.0/qchemformat.so
  229. lib/openbabel/3.1.0/reportformat.so
  230. lib/openbabel/3.1.0/rinchiformat.so
  231. lib/openbabel/3.1.0/rsmiformat.so
  232. lib/openbabel/3.1.0/rxnformat.so
  233. lib/openbabel/3.1.0/shelxformat.so
  234. lib/openbabel/3.1.0/siestaformat.so
  235. lib/openbabel/3.1.0/smilesformat.so
  236. lib/openbabel/3.1.0/smileyformat.so
  237. lib/openbabel/3.1.0/stlformat.so
  238. lib/openbabel/3.1.0/svgformat.so
  239. lib/openbabel/3.1.0/textformat.so
  240. lib/openbabel/3.1.0/thermoformat.so
  241. lib/openbabel/3.1.0/tinkerformat.so
  242. lib/openbabel/3.1.0/titleformat.so
  243. lib/openbabel/3.1.0/turbomoleformat.so
  244. lib/openbabel/3.1.0/unichemformat.so
  245. lib/openbabel/3.1.0/vaspformat.so
  246. lib/openbabel/3.1.0/viewmolformat.so
  247. lib/openbabel/3.1.0/wlnformat.so
  248. lib/openbabel/3.1.0/xedformat.so
  249. lib/openbabel/3.1.0/xmlformat.so
  250. lib/openbabel/3.1.0/xsfformat.so
  251. lib/openbabel/3.1.0/xyzformat.so
  252. lib/openbabel/3.1.0/yasaraformat.so
  253. lib/openbabel/3.1.0/zindoformat.so
  254. lib/python3.8/site-packages/openbabel/__init__.py
  255. lib/python3.8/site-packages/openbabel/__pycache__/__init__.cpython-38.opt-1.pyc
  256. lib/python3.8/site-packages/openbabel/__pycache__/__init__.cpython-38.pyc
  257. lib/python3.8/site-packages/openbabel/__pycache__/openbabel.cpython-38.opt-1.pyc
  258. lib/python3.8/site-packages/openbabel/__pycache__/openbabel.cpython-38.pyc
  259. lib/python3.8/site-packages/openbabel/__pycache__/pybel.cpython-38.opt-1.pyc
  260. lib/python3.8/site-packages/openbabel/__pycache__/pybel.cpython-38.pyc
  261. lib/python3.8/site-packages/openbabel/_openbabel.so
  262. lib/python3.8/site-packages/openbabel/openbabel.py
  263. lib/python3.8/site-packages/openbabel/pybel.py
  264. libdata/pkgconfig/openbabel-3.pc
  265. man/man1/obabel.1.gz
  266. man/man1/obchiral.1.gz
  267. man/man1/obconformer.1.gz
  268. man/man1/obdistgen.1.gz
  269. man/man1/obenergy.1.gz
  270. man/man1/obfit.1.gz
  271. man/man1/obgen.1.gz
  272. man/man1/obgrep.1.gz
  273. man/man1/obgui.1.gz
  274. man/man1/obminimize.1.gz
  275. man/man1/obprobe.1.gz
  276. man/man1/obprop.1.gz
  277. man/man1/obrms.1.gz
  278. man/man1/obrotamer.1.gz
  279. man/man1/obrotate.1.gz
  280. man/man1/obspectrophore.1.gz
  281. man/man1/obsym.1.gz
  282. man/man1/obtautomer.1.gz
  283. man/man1/obthermo.1.gz
  284. man/man1/roundtrip.1.gz
  285. share/openbabel/3.1.0/MACCS.txt
  286. share/openbabel/3.1.0/SMARTS_InteLigand.txt
  287. share/openbabel/3.1.0/UFF.prm
  288. share/openbabel/3.1.0/atomization-energies.txt
  289. share/openbabel/3.1.0/atomtyp.txt
  290. share/openbabel/3.1.0/babel_povray3.inc
  291. share/openbabel/3.1.0/bondtyp.txt
  292. share/openbabel/3.1.0/eem.txt
  293. share/openbabel/3.1.0/eem2015ba.txt
  294. share/openbabel/3.1.0/eem2015bm.txt
  295. share/openbabel/3.1.0/eem2015bn.txt
  296. share/openbabel/3.1.0/eem2015ha.txt
  297. share/openbabel/3.1.0/eem2015hm.txt
  298. share/openbabel/3.1.0/eem2015hn.txt
  299. share/openbabel/3.1.0/eqeqIonizations.txt
  300. share/openbabel/3.1.0/gaff.dat
  301. share/openbabel/3.1.0/gaff.prm
  302. share/openbabel/3.1.0/ghemical.prm
  303. share/openbabel/3.1.0/logp.txt
  304. share/openbabel/3.1.0/mmff94.ff
  305. share/openbabel/3.1.0/mmff94s.ff
  306. share/openbabel/3.1.0/mmffang.par
  307. share/openbabel/3.1.0/mmffbndk.par
  308. share/openbabel/3.1.0/mmffbond.par
  309. share/openbabel/3.1.0/mmffchg.par
  310. share/openbabel/3.1.0/mmffdef.par
  311. share/openbabel/3.1.0/mmffdfsb.par
  312. share/openbabel/3.1.0/mmffoop.par
  313. share/openbabel/3.1.0/mmffpbci.par
  314. share/openbabel/3.1.0/mmffprop.par
  315. share/openbabel/3.1.0/mmffs_oop.par
  316. share/openbabel/3.1.0/mmffs_tor.par
  317. share/openbabel/3.1.0/mmffstbn.par
  318. share/openbabel/3.1.0/mmfftor.par
  319. share/openbabel/3.1.0/mmffvdw.par
  320. share/openbabel/3.1.0/mpC.txt
  321. share/openbabel/3.1.0/mr.txt
  322. share/openbabel/3.1.0/patterns.txt
  323. share/openbabel/3.1.0/phmodel.txt
  324. share/openbabel/3.1.0/plugindefines.txt
  325. share/openbabel/3.1.0/psa.txt
  326. share/openbabel/3.1.0/qeq.txt
  327. share/openbabel/3.1.0/resdata.txt
  328. share/openbabel/3.1.0/rigid-fragments-index.txt
  329. share/openbabel/3.1.0/rigid-fragments.txt
  330. share/openbabel/3.1.0/ring-fragments.txt
  331. share/openbabel/3.1.0/ringtyp.txt
  332. share/openbabel/3.1.0/space-groups.txt
  333. share/openbabel/3.1.0/splash.png
  334. share/openbabel/3.1.0/superatom.txt
  335. share/openbabel/3.1.0/svgformat.script
  336. share/openbabel/3.1.0/templates.sdf
  337. share/openbabel/3.1.0/torlib.txt
  338. share/openbabel/3.1.0/torsion.txt
  339. share/openbabel/3.1.0/types.txt
  340. @owner
  341. @group
  342. @mode
Collapse this list.
Dependency lines:
  • openbabel>0:science/openbabel
Conflicts:
CONFLICTS_INSTALL:
  • babel
To install the port:
cd /usr/ports/science/openbabel/ && make install clean
To add the package, run one of these commands:
  • pkg install science/openbabel
  • pkg install openbabel
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: openbabel
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1609084505 SHA256 (openbabel-3.1.1-source.tar.bz2) = a6ec8381d59ea32a4b241c8b1fbd799acb52be94ab64cdbd72506fb4e2270e68 SIZE (openbabel-3.1.1-source.tar.bz2) = 27743669
No package information for this port in our database
Sometimes this happens. Not all ports have packages. Perhaps there is a build error. Check the fallout link: pkg-fallout
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. rapidjson>0 : devel/rapidjson
  2. cmake : devel/cmake
  3. ninja : devel/ninja
  4. eigen3.pc : math/eigen3
  5. pkgconf>=1.3.0_1 : devel/pkgconf
  6. python3.8 : lang/python38
Runtime dependencies:
  1. python3.8 : lang/python38
Library dependencies:
  1. libmaeparser.so : science/maeparser
  2. libcoordgen.so : science/coordgenlibs
  3. libboost_thread.so : devel/boost-libs
  4. libcairo.so : graphics/cairo
  5. libxml2.so : textproc/libxml2
  6. libwx_baseu-3.0.so : x11-toolkits/wxgtk30@gtk3
This port is required by:
for Libraries
  1. science/gchemutils
Configuration Options:
===> The following configuration options are available for openbabel-3.1.1_4: CAIRO=on: PNG support via cairo library GUI=on: GUI (Graphical User Interface) support PYTHON=on: Python bindings or support ===> Use 'make config' to modify these settings
Options name:
science_openbabel
USES:
cmake compiler:c++11-lang eigen:3 gnome pkgconfig tar:bz2 python
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://github.com/openbabel/openbabel/releases/download/openbabel-3-1-1/
Collapse this list.

Number of commits found: 1

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
3.1.1_4
10 Apr 2022 19:47:23
commit hash: 035e778ee53345464c2d7466a3895e17073ad1f6commit hash: 035e778ee53345464c2d7466a3895e17073ad1f6commit hash: 035e778ee53345464c2d7466a3895e17073ad1f6commit hash: 035e778ee53345464c2d7466a3895e17073ad1f6 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 and direct commit to quarterly as PORTREVISIONs
may not match from main.

PR: 262853, 262940, 262877
Approved by: fluffy (mentor)

Number of commits found: 1
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