| Port details on branch 2022Q2 |
- py-openbabel Chemical toolbox designed to speak the many languages of chemical data
- 3.1.1.1 science
 =0      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: 2023-08-07 15:24:44
- Commit Hash: 3ff8f3d
- 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 py39-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 py39-openbabel listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py39-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
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- Test dependencies:
-
- python3.9 : lang/python39
- Runtime dependencies:
-
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- Library dependencies:
-
- libopenbabel.so : science/openbabel
- 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:
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