| Port details on branch 2022Q3 |
- openbabel Chemical toolbox designed to speak the many languages of chemical data
- 3.2.0 science
 =10      3.2.0Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2003-01-05 17:06:10
- Last Update: 2026-05-28 02:43:02
- Commit Hash: 9513775
- People watching this port, also watch:: pcre, vcdimager, libao, fribidi, glib
- License: GPLv2+
- WWW:
- https://openbabel.org/
- https://github.com/openbabel/openbabel
- 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...)
  ¦  ¦  ¦  ¦ 
- Manual pages:
-
- pkg-plist: as obtained via:
make generate-plist - USE_RC_SUBR (Service Scripts)
- no SUBR information found for this port
- Dependency lines:
-
- openbabel>0:science/openbabel
- Conflicts:
- CONFLICTS_INSTALL:
- 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 = 1779861753
SHA256 (openbabel-openbabel-openbabel-3-2-0_GH0.tar.gz) = 9aadf9f01b3d0ff15d49fcd28d7d76b923218d70bf10f99ea4cc466607f4c7e2
SIZE (openbabel-openbabel-openbabel-3-2-0_GH0.tar.gz) = 37815471
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- rapidjson>0 : devel/rapidjson
- cmake : devel/cmake-core
- ninja : devel/ninja
- eigen3.pc : math/eigen3
- pkgconf>=1.3.0_1 : devel/pkgconf
- perl5>=5.42.r<5.43 : lang/perl5.42
- Library dependencies:
-
- libmaeparser.so : science/maeparser
- libcoordgen.so : science/coordgenlibs
- libboost_thread.so : devel/boost-libs
- libcairo.so : graphics/cairo
- libxml2.so : textproc/libxml2
- libwx_baseu-3.0.so : x11-toolkits/wxgtk30@gtk3
- This port is required by:
- for Build
-
- science/libghemical
- for Libraries
-
- science/gchemutils
- science/kalzium
- science/molsketch
- science/py-openbabel
- science/v_sim
- science/xdrawchem
-
Deleted ports which required this port:
- for Run
-
- science/avogadro2
- science/luscus
- science/xcrysden
Configuration Options:- ===> The following configuration options are available for openbabel-3.2.0:
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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