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Port details on branch 2025Q2
openbabel Chemical toolbox designed to speak the many languages of chemical data
3.1.1.178_3 science on this many watch lists=13 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 3.1.1.178_3Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2003-01-05 17:06:10
Last Update: 2025-02-14 03:17:22
Commit Hash: fa53920
People watching this port, also watch:: cdparanoia, libmng, vcdimager, libxml2, iso8879
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...)
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 (331 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/openbabel-3.1.1.178_3/catalog.mk
  3. /usr/local/share/licenses/openbabel-3.1.1.178_3/LICENSE
  4. /usr/local/share/licenses/openbabel-3.1.1.178_3/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. include/inchi/inchi_api.h
  26. include/openbabel3/LBFGS.h
  27. include/openbabel3/LBFGS/LineSearchBacktracking.h
  28. include/openbabel3/LBFGS/LineSearchBracketing.h
  29. include/openbabel3/LBFGS/LineSearchNocedalWright.h
  30. include/openbabel3/LBFGS/Param.h
  31. include/openbabel3/openbabel/alias.h
  32. include/openbabel3/openbabel/atom.h
  33. include/openbabel3/openbabel/babelconfig.h
  34. include/openbabel3/openbabel/base.h
  35. include/openbabel3/openbabel/bitvec.h
  36. include/openbabel3/openbabel/bond.h
  37. include/openbabel3/openbabel/bondtyper.h
  38. include/openbabel3/openbabel/builder.h
  39. include/openbabel3/openbabel/canon.h
  40. include/openbabel3/openbabel/chains.h
  41. include/openbabel3/openbabel/chargemodel.h
  42. include/openbabel3/openbabel/chemdrawcdx.h
  43. include/openbabel3/openbabel/conformersearch.h
  44. include/openbabel3/openbabel/data.h
  45. include/openbabel3/openbabel/data_utilities.h
  46. include/openbabel3/openbabel/depict/asciipainter.h
  47. include/openbabel3/openbabel/depict/cairopainter.h
  48. include/openbabel3/openbabel/depict/commandpainter.h
  49. include/openbabel3/openbabel/depict/depict.h
  50. include/openbabel3/openbabel/depict/painter.h
  51. include/openbabel3/openbabel/depict/svgpainter.h
  52. include/openbabel3/openbabel/descriptor.h
  53. include/openbabel3/openbabel/distgeom.h
  54. include/openbabel3/openbabel/dlhandler.h
  55. include/openbabel3/openbabel/elements.h
  56. include/openbabel3/openbabel/fingerprint.h
  57. include/openbabel3/openbabel/forcefield.h
  58. include/openbabel3/openbabel/format.h
  59. include/openbabel3/openbabel/generic.h
  60. include/openbabel3/openbabel/graphsym.h
  61. include/openbabel3/openbabel/grid.h
  62. include/openbabel3/openbabel/griddata.h
  63. include/openbabel3/openbabel/groupcontrib.h
  64. include/openbabel3/openbabel/inchiformat.h
  65. include/openbabel3/openbabel/internalcoord.h
  66. include/openbabel3/openbabel/isomorphism.h
  67. include/openbabel3/openbabel/json.h
  68. include/openbabel3/openbabel/kekulize.h
  69. include/openbabel3/openbabel/kinetics.h
  70. include/openbabel3/openbabel/lineend.h
  71. include/openbabel3/openbabel/locale.h
  72. include/openbabel3/openbabel/math/align.h
  73. include/openbabel3/openbabel/math/erf.h
  74. include/openbabel3/openbabel/math/matrix3x3.h
  75. include/openbabel3/openbabel/math/spacegroup.h
  76. include/openbabel3/openbabel/math/transform3d.h
  77. include/openbabel3/openbabel/math/vector3.h
  78. include/openbabel3/openbabel/matrix.h
  79. include/openbabel3/openbabel/mcdlutil.h
  80. include/openbabel3/openbabel/mol.h
  81. include/openbabel3/openbabel/molchrg.h
  82. include/openbabel3/openbabel/obconversion.h
  83. include/openbabel3/openbabel/oberror.h
  84. include/openbabel3/openbabel/obfunctions.h
  85. include/openbabel3/openbabel/obiter.h
  86. include/openbabel3/openbabel/obmolecformat.h
  87. include/openbabel3/openbabel/obutil.h
  88. include/openbabel3/openbabel/op.h
  89. include/openbabel3/openbabel/optransform.h
  90. include/openbabel3/openbabel/parsmart.h
  91. include/openbabel3/openbabel/patty.h
  92. include/openbabel3/openbabel/phmodel.h
  93. include/openbabel3/openbabel/plugin.h
  94. include/openbabel3/openbabel/pointgroup.h
  95. include/openbabel3/openbabel/query.h
  96. include/openbabel3/openbabel/reaction.h
  97. include/openbabel3/openbabel/reactionfacade.h
  98. include/openbabel3/openbabel/residue.h
  99. include/openbabel3/openbabel/ring.h
  100. include/openbabel3/openbabel/rotamer.h
  101. include/openbabel3/openbabel/rotor.h
  102. include/openbabel3/openbabel/spectrophore.h
  103. include/openbabel3/openbabel/stereo/bindings.h
  104. include/openbabel3/openbabel/stereo/cistrans.h
  105. include/openbabel3/openbabel/stereo/squareplanar.h
  106. include/openbabel3/openbabel/stereo/stereo.h
  107. include/openbabel3/openbabel/stereo/tetrahedral.h
  108. include/openbabel3/openbabel/stereo/tetranonplanar.h
  109. include/openbabel3/openbabel/stereo/tetraplanar.h
  110. include/openbabel3/openbabel/tautomer.h
  111. include/openbabel3/openbabel/text.h
  112. include/openbabel3/openbabel/tokenst.h
  113. include/openbabel3/openbabel/typer.h
  114. include/openbabel3/openbabel/xml.h
  115. lib/cmake/openbabel3/OpenBabel3Config.cmake
  116. lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake
  117. lib/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake
  118. lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
  119. lib/libinchi.so
  120. lib/libinchi.so.0
  121. lib/libinchi.so.0.4.1
  122. lib/libopenbabel.so
  123. lib/libopenbabel.so.7
  124. lib/libopenbabel.so.7.0.0
  125. lib/openbabel/3.1.1/APIInterface.so
  126. lib/openbabel/3.1.1/CSRformat.so
  127. lib/openbabel/3.1.1/MCDLformat.so
  128. lib/openbabel/3.1.1/MNAformat.so
  129. lib/openbabel/3.1.1/PQSformat.so
  130. lib/openbabel/3.1.1/abinitformat.so
  131. lib/openbabel/3.1.1/acesformat.so
  132. lib/openbabel/3.1.1/acrformat.so
  133. lib/openbabel/3.1.1/adfformat.so
  134. lib/openbabel/3.1.1/alchemyformat.so
  135. lib/openbabel/3.1.1/amberformat.so
  136. lib/openbabel/3.1.1/aoforceformat.so
  137. lib/openbabel/3.1.1/asciiformat.so
  138. lib/openbabel/3.1.1/balstformat.so
  139. lib/openbabel/3.1.1/bgfformat.so
  140. lib/openbabel/3.1.1/boxformat.so
  141. lib/openbabel/3.1.1/cacaoformat.so
  142. lib/openbabel/3.1.1/cacheformat.so
  143. lib/openbabel/3.1.1/carformat.so
  144. lib/openbabel/3.1.1/castepformat.so
  145. lib/openbabel/3.1.1/cccformat.so
  146. lib/openbabel/3.1.1/cdxmlformat.so
  147. lib/openbabel/3.1.1/chem3dformat.so
  148. lib/openbabel/3.1.1/chemdoodlejsonformat.so
  149. lib/openbabel/3.1.1/chemdrawcdx.so
  150. lib/openbabel/3.1.1/chemdrawct.so
  151. lib/openbabel/3.1.1/chemicaljsonformat.so
  152. lib/openbabel/3.1.1/chemkinformat.so
  153. lib/openbabel/3.1.1/chemtoolformat.so
  154. lib/openbabel/3.1.1/cifformat.so
  155. lib/openbabel/3.1.1/cmlformat.so
  156. lib/openbabel/3.1.1/cmlreactformat.so
  157. lib/openbabel/3.1.1/cofformat.so
  158. lib/openbabel/3.1.1/confabreport.so
  159. lib/openbabel/3.1.1/copyformat.so
  160. lib/openbabel/3.1.1/crkformat.so
  161. lib/openbabel/3.1.1/crystal09format.so
  162. lib/openbabel/3.1.1/cssrformat.so
  163. lib/openbabel/3.1.1/daltonformat.so
  164. lib/openbabel/3.1.1/dlpolyformat.so
  165. lib/openbabel/3.1.1/dmolformat.so
  166. lib/openbabel/3.1.1/exyzformat.so
  167. lib/openbabel/3.1.1/fastaformat.so
  168. lib/openbabel/3.1.1/fastsearchformat.so
  169. lib/openbabel/3.1.1/fchkformat.so
  170. lib/openbabel/3.1.1/featformat.so
  171. lib/openbabel/3.1.1/fhformat.so
  172. lib/openbabel/3.1.1/fhiaimsformat.so
  173. lib/openbabel/3.1.1/fingerprintformat.so
  174. lib/openbabel/3.1.1/fpsformat.so
  175. lib/openbabel/3.1.1/freefracformat.so
  176. lib/openbabel/3.1.1/gamessformat.so
  177. lib/openbabel/3.1.1/gamessukformat.so
  178. lib/openbabel/3.1.1/gausscubeformat.so
  179. lib/openbabel/3.1.1/gaussformat.so
  180. lib/openbabel/3.1.1/gausszmatformat.so
  181. lib/openbabel/3.1.1/ghemicalformat.so
  182. lib/openbabel/3.1.1/groformat.so
  183. lib/openbabel/3.1.1/gromos96format.so
  184. lib/openbabel/3.1.1/gulpformat.so
  185. lib/openbabel/3.1.1/hinformat.so
  186. lib/openbabel/3.1.1/inchiformat.so
  187. lib/openbabel/3.1.1/jaguarformat.so
  188. lib/openbabel/3.1.1/lmpdatformat.so
  189. lib/openbabel/3.1.1/lpmdformat.so
  190. lib/openbabel/3.1.1/maeformat.so
  191. lib/openbabel/3.1.1/mdffformat.so
  192. lib/openbabel/3.1.1/mdlformat.so
  193. lib/openbabel/3.1.1/mmcifformat.so
  194. lib/openbabel/3.1.1/mmodformat.so
  195. lib/openbabel/3.1.1/mol2format.so
  196. lib/openbabel/3.1.1/moldenformat.so
  197. lib/openbabel/3.1.1/molproformat.so
  198. lib/openbabel/3.1.1/molreport.so
  199. lib/openbabel/3.1.1/mopacformat.so
  200. lib/openbabel/3.1.1/mpdformat.so
  201. lib/openbabel/3.1.1/mpqcformat.so
  202. lib/openbabel/3.1.1/msiformat.so
  203. lib/openbabel/3.1.1/msmsformat.so
  204. lib/openbabel/3.1.1/nulformat.so
  205. lib/openbabel/3.1.1/nwchemformat.so
  206. lib/openbabel/3.1.1/opendxformat.so
  207. lib/openbabel/3.1.1/orcaformat.so
  208. lib/openbabel/3.1.1/outformat.so
  209. lib/openbabel/3.1.1/painterformat.so
  210. lib/openbabel/3.1.1/pcmodelformat.so
  211. lib/openbabel/3.1.1/pdbformat.so
  212. lib/openbabel/3.1.1/pdbqtformat.so
  213. lib/openbabel/3.1.1/plugin_charges.so
  214. lib/openbabel/3.1.1/plugin_descriptors.so
  215. lib/openbabel/3.1.1/plugin_fingerprints.so
  216. lib/openbabel/3.1.1/plugin_forcefields.so
  217. lib/openbabel/3.1.1/plugin_ops.so
  218. lib/openbabel/3.1.1/png2format.so
  219. lib/openbabel/3.1.1/pngformat.so
  220. lib/openbabel/3.1.1/pointcloudformat.so
  221. lib/openbabel/3.1.1/posformat.so
  222. lib/openbabel/3.1.1/povrayformat.so
  223. lib/openbabel/3.1.1/pqrformat.so
  224. lib/openbabel/3.1.1/pubchem.so
  225. lib/openbabel/3.1.1/pubchemjsonformat.so
  226. lib/openbabel/3.1.1/pwscfformat.so
  227. lib/openbabel/3.1.1/qchemformat.so
  228. lib/openbabel/3.1.1/reportformat.so
  229. lib/openbabel/3.1.1/rinchiformat.so
  230. lib/openbabel/3.1.1/rsmiformat.so
  231. lib/openbabel/3.1.1/rxnformat.so
  232. lib/openbabel/3.1.1/shelxformat.so
  233. lib/openbabel/3.1.1/siestaformat.so
  234. lib/openbabel/3.1.1/smilesformat.so
  235. lib/openbabel/3.1.1/smileyformat.so
  236. lib/openbabel/3.1.1/stlformat.so
  237. lib/openbabel/3.1.1/svgformat.so
  238. lib/openbabel/3.1.1/textformat.so
  239. lib/openbabel/3.1.1/thermoformat.so
  240. lib/openbabel/3.1.1/tinkerformat.so
  241. lib/openbabel/3.1.1/titleformat.so
  242. lib/openbabel/3.1.1/turbomoleformat.so
  243. lib/openbabel/3.1.1/unichemformat.so
  244. lib/openbabel/3.1.1/vaspformat.so
  245. lib/openbabel/3.1.1/viewmolformat.so
  246. lib/openbabel/3.1.1/wlnformat.so
  247. lib/openbabel/3.1.1/xedformat.so
  248. lib/openbabel/3.1.1/xmlformat.so
  249. lib/openbabel/3.1.1/xsfformat.so
  250. lib/openbabel/3.1.1/xyzformat.so
  251. lib/openbabel/3.1.1/yasaraformat.so
  252. lib/openbabel/3.1.1/zindoformat.so
  253. libdata/pkgconfig/openbabel-3.pc
  254. share/man/man1/obabel.1.gz
  255. share/man/man1/obchiral.1.gz
  256. share/man/man1/obconformer.1.gz
  257. share/man/man1/obdistgen.1.gz
  258. share/man/man1/obenergy.1.gz
  259. share/man/man1/obfit.1.gz
  260. share/man/man1/obgen.1.gz
  261. share/man/man1/obgrep.1.gz
  262. share/man/man1/obgui.1.gz
  263. share/man/man1/obminimize.1.gz
  264. share/man/man1/obprobe.1.gz
  265. share/man/man1/obprop.1.gz
  266. share/man/man1/obrms.1.gz
  267. share/man/man1/obrotamer.1.gz
  268. share/man/man1/obrotate.1.gz
  269. share/man/man1/obspectrophore.1.gz
  270. share/man/man1/obsym.1.gz
  271. share/man/man1/obtautomer.1.gz
  272. share/man/man1/obthermo.1.gz
  273. share/man/man1/roundtrip.1.gz
  274. share/openbabel/3.1.1/MACCS.txt
  275. share/openbabel/3.1.1/SMARTS_InteLigand.txt
  276. share/openbabel/3.1.1/UFF.prm
  277. share/openbabel/3.1.1/atomization-energies.txt
  278. share/openbabel/3.1.1/atomtyp.txt
  279. share/openbabel/3.1.1/babel_povray3.inc
  280. share/openbabel/3.1.1/bondtyp.txt
  281. share/openbabel/3.1.1/eem.txt
  282. share/openbabel/3.1.1/eem2015ba.txt
  283. share/openbabel/3.1.1/eem2015bm.txt
  284. share/openbabel/3.1.1/eem2015bn.txt
  285. share/openbabel/3.1.1/eem2015ha.txt
  286. share/openbabel/3.1.1/eem2015hm.txt
  287. share/openbabel/3.1.1/eem2015hn.txt
  288. share/openbabel/3.1.1/eqeqIonizations.txt
  289. share/openbabel/3.1.1/gaff.dat
  290. share/openbabel/3.1.1/gaff.prm
  291. share/openbabel/3.1.1/ghemical.prm
  292. share/openbabel/3.1.1/logp.txt
  293. share/openbabel/3.1.1/mmff94.ff
  294. share/openbabel/3.1.1/mmff94s.ff
  295. share/openbabel/3.1.1/mmffang.par
  296. share/openbabel/3.1.1/mmffbndk.par
  297. share/openbabel/3.1.1/mmffbond.par
  298. share/openbabel/3.1.1/mmffchg.par
  299. share/openbabel/3.1.1/mmffdef.par
  300. share/openbabel/3.1.1/mmffdfsb.par
  301. share/openbabel/3.1.1/mmffoop.par
  302. share/openbabel/3.1.1/mmffpbci.par
  303. share/openbabel/3.1.1/mmffprop.par
  304. share/openbabel/3.1.1/mmffs_oop.par
  305. share/openbabel/3.1.1/mmffs_tor.par
  306. share/openbabel/3.1.1/mmffstbn.par
  307. share/openbabel/3.1.1/mmfftor.par
  308. share/openbabel/3.1.1/mmffvdw.par
  309. share/openbabel/3.1.1/mpC.txt
  310. share/openbabel/3.1.1/mr.txt
  311. share/openbabel/3.1.1/patterns.txt
  312. share/openbabel/3.1.1/phmodel.txt
  313. share/openbabel/3.1.1/plugindefines.txt
  314. share/openbabel/3.1.1/psa.txt
  315. share/openbabel/3.1.1/qeq.txt
  316. share/openbabel/3.1.1/resdata.txt
  317. share/openbabel/3.1.1/rigid-fragments-index.txt
  318. share/openbabel/3.1.1/rigid-fragments.txt
  319. share/openbabel/3.1.1/ring-fragments.txt
  320. share/openbabel/3.1.1/ringtyp.txt
  321. share/openbabel/3.1.1/space-groups.txt
  322. share/openbabel/3.1.1/splash.png
  323. share/openbabel/3.1.1/superatom.txt
  324. share/openbabel/3.1.1/svgformat.script
  325. share/openbabel/3.1.1/templates.sdf
  326. share/openbabel/3.1.1/torlib.txt
  327. share/openbabel/3.1.1/torsion.txt
  328. share/openbabel/3.1.1/types.txt
  329. @owner
  330. @group
  331. @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 = 1688103397 SHA256 (openbabel-openbabel-3-1-1-178-g2b211d6ac_GH0.tar.gz) = 86c4922526a5b16cd08ba187413ce6b8145705bdeb1b5dbbe0c3eb4d2bf91269 SIZE (openbabel-openbabel-3-1-1-178-g2b211d6ac_GH0.tar.gz) = 36848606
Packages (timestamps in pop-ups are UTC):
openbabel
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest3.1.1.178_33.1.1.178_3------
FreeBSD:13:quarterly3.1.1.178_33.1.1.178_3--3.1.1.178_3-3.1.1.1783.1.1.178
FreeBSD:14:latest3.1.1.178_33.1.1.178_3--3.1.1.178_3---
FreeBSD:14:quarterly3.1.1.178_23.1.1.178_3-3.1.1.178_23.1.1.178_3-3.1.1.1783.1.1.178
FreeBSD:15:latest3.1.1.178_33.1.1.178_3n/a-n/a-3.1.1.178-
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-core
  3. ninja : devel/ninja
  4. eigen3.pc : math/eigen3
  5. pkgconf>=1.3.0_1 : devel/pkgconf
  6. perl5>=5.36<5.37 : lang/perl5.36
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 Build
  1. science/libghemical
for Libraries
  1. science/gchemutils
  2. science/kalzium
  3. science/molsketch
  4. science/py-openbabel
  5. science/v_sim
  6. science/xdrawchem

Deleted ports which required this port:

Expand this list of 3 deleted ports
  1. biology/xdrawchem*
  2. science/avogadro*
  3. science/kalzium-kde4*
  4. Collapse this list of deleted ports.
for Run
  1. science/avogadro2
  2. science/luscus
  3. science/xcrysden
Configuration Options:
===> The following configuration options are available for openbabel-3.1.1.178_3: CAIRO=on: PNG support via cairo library GUI=on: GUI (Graphical User Interface) support ===> Use 'make config' to modify these settings
Options name:
science_openbabel
USES:
cmake:testing compiler:c++11-lang eigen:3 gnome perl5 pkgconfig tar:bz2
FreshPorts was unable to extract/find any pkg message
Master Sites:
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  1. https://codeload.github.com/openbabel/openbabel/tar.gz/3-1-1-178-g2b211d6ac?dummy=/
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