| Port details |
- py-openbabel Chemical toolbox designed to speak the many languages of chemical data
- 3.2.0 science
 =0      3.1.1.1_1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2008-07-19 14:01:08
- Last Update: 2026-05-28 02:43:02
- Commit Hash: 5330c42
- 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...)
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - There is no configure plist information for this port.
- USE_RC_SUBR (Service Scripts)
- no SUBR information found for this port
- Dependency lines:
-
- ${PYTHON_PKGNAMEPREFIX}openbabel>0:science/py-openbabel@${PY_FLAVOR}
- To install the port:
- cd /usr/ports/science/py-openbabel/ && make install clean
- To add the package, run one of these commands:
- pkg install science/py-openbabel
- pkg install py311-openbabel
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
NOTE: This is a Python port. Instead of py311-openbabel listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py311-openbabel
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1779863957
SHA256 (openbabel-3.2.0.tar.gz) = 332e6038146e0b69f9c32b8d71d6de153a095d98dce4663972c4a45e55449d01
SIZE (openbabel-3.2.0.tar.gz) = 36460954
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:
-
- swig : devel/swig
- rapidjson>0 : devel/rapidjson
- py311-cmeel-eigen>0 : devel/py-cmeel-eigen@py311
- py311-scikit-build-core>=0.11 : devel/py-scikit-build-core@py311
- py311-setuptools-scm>0 : devel/py-setuptools-scm@py311
- py311-swig>0 : devel/py-swig@py311
- python3.11 : lang/python311
- py311-build>=0 : devel/py-build@py311
- py311-installer>=0 : devel/py-installer@py311
- Test dependencies:
-
- py311-pytest>=7,1 : devel/py-pytest@py311
- python3.11 : lang/python311
- Runtime dependencies:
-
- python3.11 : lang/python311
- Library dependencies:
-
- libcoordgen.so : science/coordgenlibs
- libmaeparser.so : science/maeparser
- libopenbabel.so : science/openbabel
- libxml2.so : textproc/libxml2
- There are no ports dependent upon this port
Configuration Options:- No options to configure
- Options name:
- science_py-openbabel
- USES:
- python
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
3.2.0
28 May 2026 02:43:02
 |
Yuri Victorovich (yuri) |
science/py-openbabel: update 3.1.1.1 → 3.2.0 |
3.1.1.1_1
19 Jun 2025 20:28:47
|
Charlie Li (vishwin) |
python.mk: rename PYTHON_EXT_SUFFIX to PYTHON_TAG, document, etc
EXT_SUFFIX, according to PEP 3149, refers to the full tag and
extension for compiled extension module objects, eg .cpython-311.so,
.cpython-313t.so, etc. We do not use the correct semantic meaning,
and this usage becomes ambiguous and confusing when tags do not
match between bytecode and compiled extension module objects.
Rename our PYTHON_EXT_SUFFIX to PYTHON_TAG to align with PEP 3147's
specification of a magic tag, which consists of implementation name
and shorthand version only. This is meant for bytecode and other
files containing this tag in their filename that do not depend on
a specific Python ABI for the same version. Chase all existing
consumers.
(Only the first 15 lines of the commit message are shown above  ) |
3.1.1.1_1
08 Mar 2025 04:05:21
|
Charlie Li (vishwin) |
python: bump all USE_PYTHON=distutils consumers after RUN_DEPENDS removal
Any missed ports, feel free to bump.
Any ports that need setuptools at runtime can have the devel/py-setuptools
manually added back to RUN_DEPENDS, but understand that this practice
is deprecated; see CHANGES for details. |
3.1.1.1
01 Oct 2024 18:56:20
|
Rene Ladan (rene) |
all: drop support for expired FreeBSD 14.0
Simplify expressions for FreeBSD 13.X
Reviewed by: many
Differential Revision: https://reviews.freebsd.org/D46601 |
3.1.1.1
07 Aug 2023 15:24:44
|
Muhammad Moinur Rahman (bofh) |
science/py-openbabel: Fix build with llvm16
Approved by: portmgr (blanket)
Sponsored by: The FreeBSD Foundation |
3.1.1.1
11 Jan 2023 15:58:34
|
Dmitry Marakasov (amdmi3) |
*/*: rename CHEESESHOP to PYPI in MASTER_SITES
PR: 267994
Differential revision: D37518
Approved by: bapt |
3.1.1.1
20 Nov 2022 21:50:01
|
Yuri Victorovich (yuri) |
science/py-openbabel: New port: Chemical toolbox designed to speak the many
languages of chemical data |
2.2.3
11 Dec 2012 14:19:54
 |
makc |
science/openbabel:
- Update openbabel to 2.3.2
- Switch to CMake build system
- Add PYTHON and CAIRO options
- Don't rename babel binary, mark conflict with ancient biology/babel
science/py-openbabel:
- Merge py-openbabel to openbabel
other:
- chase openbabel update |
2.2.3
03 Jul 2011 13:22:25
|
ohauer |
- remove MD5 |
2.2.3
26 Jun 2010 19:17:44
|
makc |
Update to 2.2.3
Feature safe: yes |
2.2.2
10 Aug 2009 17:14:49
|
makc |
Update to 2.2.2
Respect LOCALBASE (reported by QATty) |
2.2.1
26 Apr 2009 14:49:08
|
makc |
Update to 2.2.1 |
2.2.0
21 Feb 2009 11:31:28
|
makc |
Use my @FreeBSD.org email for the rest of my ports |
2.2.0
19 Jul 2008 14:00:34
|
miwi |
This port installs python bindings for openbabel.
WWW: http://openbabel.sourceforge.net
PR: ports/125768
Submitted by: Max Brazhnikov <makc at issp.ac.ru> |
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