BSD Ports

science/py-openbabel 3.2.1 FreeBSD

Chemical toolbox designed to speak the many languages of chemical data

System
FreeBSD
Repository
FreeBSD ports
Maintainer
[email protected]
Last update
Commit
2e51765517
License
GPLv2+
Categories
science
Package size
4946.9 KiB, 31380.8 KiB installed

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...)

In the other systems

SystemPortVersion
FreeBSDscience/py-openbabel3.2.1
DragonFlyscience/py-openbabel3.1.1.1_1

Install

Binary package:

pkg install py312-openbabel

From the ports tree:

cd /usr/ports/science/py-openbabel/ && make install clean

To depend on this port in another port's Makefile:

RUN_DEPENDS=	py312-openbabel>0:science/py-openbabel

Packages

The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.

Repositoryaarch64amd64armv6armv7i386
FreeBSD:14:latest3.2.13.2.1-3.1.1.1_13.2.1
FreeBSD:14:quarterly3.2.13.2.1n/a3.1.1.1_13.2.1
FreeBSD:15:latest3.2.13.2.1n/a3.1.1.1_13.1.1.1_1
FreeBSD:15:quarterly3.2.13.2.1n/an/an/a
FreeBSD:16:latest3.2.13.2.1n/an/an/a
FreeBSD:16:quarterlyn/an/an/an/an/a

Dependencies

As this port's Makefile names them.

Build 6

Library 4

The full lists below include those, and their dependencies in turn.

Build dependencies 120

The first 100 are listed.

Run dependencies 104

The first 100 are listed.

No port depends on this one.

Configuration

No options to configure.

USES
python
Service scripts
none

Files

distinfo 1
FileSizeSHA256
openbabel-3.2.1.tar.gz3.6477455e+073afad3decd3b4343e09af3d98472b72f84cbf9a0fa25c2e4eb102abc334548c3
Master sites 1
  • PYPI

Commit history 1

DateCommitCreditsLog message
2e51765517 Yuri Victorovich science/{,py-}openbabel: update 3.2.0 → 3.2.1