| Port details |
- py-openbabel Chemical toolbox designed to speak the many languages of chemical data
- 3.1.1.1_1 science
 =2      3.1.1.1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2008-07-19 14:01:08
- Last Update: 2025-03-08 04:05:21
- Commit Hash: 06a08e6
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py311-PyOpenGL, p5-Sane
- 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.
- 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 = 1668939398
SHA256 (openbabel-3.1.1.1.tar.gz) = bb7f8cad15f3a208f4869d7943cbb14eb7125372eba397588f207f8d19e78373
SIZE (openbabel-3.1.1.1.tar.gz) = 82811
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
- py311-setuptools>=63.1.0 : devel/py-setuptools@py311
- python3.11 : lang/python311
- Test dependencies:
-
- python3.11 : lang/python311
- Runtime dependencies:
-
- python3.11 : lang/python311
- Library dependencies:
-
- libopenbabel.so : science/openbabel
- This port is required by:
- for Run
-
- science/py-pymatgen
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 |
|---|
3.1.1.1_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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