science/openbabel 2.4.1_2 MidnightBSD

Chemical toolbox designed to speak the many languages of chemical data

System: MidnightBSD
Repository: mports
Maintainer: [email protected]
Last update: 2026-09-06
Commit: a05b377b53
License: gpl2
Categories: science

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

System

Port

Version

MidnightBSD

science/openbabel

2.4.1_2

FreeBSD

science/openbabel

3.2.1_1

OpenBSD

misc/openbabel

3.2.1

NetBSD

biology/openbabel

3.2.1nb2

DragonFly

science/openbabel

3.1.1.178_3

HardenedBSD

science/openbabel

3.2.1_1

GhostBSD

science/openbabel

3.2.0

Install

Binary package:

mport install openbabel

From mports:

cd /usr/mports/science/openbabel && make install clean

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

RUN_DEPENDS=	openbabel>0:science/openbabel
LIB_DEPENDS=	libinchi.so:science/openbabel

Dependencies

No port depends on this one.

Configuration

Options name: science_openbabel

Option

Default

Description

CAIRO

off

PNG support via cairo library

GUI

PYTHON

USES: compiler:c++11-lang cmake eigen:3 gnome
Service scripts: none
Conflicts with: babel-*

Files

Manual pages 16

babel(1)
obabel(1)
obchiral(1)
obconformer(1)
obenergy(1)
obfit(1)
obgen(1)
obgrep(1)
obgui(1)
obminimize(1)
obprobe(1)
obprop(1)
obrotamer(1)
obrotate(1)
obspectrophore(1)
roundtrip(1)

pkg-plist 311

bin/babel
bin/obabel
bin/obchiral
bin/obconformer
bin/obdistgen
bin/obenergy
bin/obfit
bin/obgen
bin/obgrep
bin/obgui
bin/obminimize
bin/obprobe
bin/obprop
bin/obrms
bin/obrotamer
bin/obrotate
bin/obspectrophore
bin/obsym
bin/obtautomer
bin/obthermo
bin/roundtrip
include/inchi/inchi_api.h
include/openbabel-2.0/openbabel/alias.h
include/openbabel-2.0/openbabel/atom.h
include/openbabel-2.0/openbabel/atomclass.h
include/openbabel-2.0/openbabel/babelconfig.h
include/openbabel-2.0/openbabel/base.h
include/openbabel-2.0/openbabel/bitvec.h
include/openbabel-2.0/openbabel/bond.h
include/openbabel-2.0/openbabel/bondtyper.h
include/openbabel-2.0/openbabel/builder.h
include/openbabel-2.0/openbabel/canon.h
include/openbabel-2.0/openbabel/chains.h
include/openbabel-2.0/openbabel/chargemodel.h
include/openbabel-2.0/openbabel/chemdrawcdx.h
include/openbabel-2.0/openbabel/chiral.h
include/openbabel-2.0/openbabel/conformersearch.h
include/openbabel-2.0/openbabel/data.h
include/openbabel-2.0/openbabel/data_utilities.h
include/openbabel-2.0/openbabel/descriptor.h
include/openbabel-2.0/openbabel/distgeom.h
include/openbabel-2.0/openbabel/dlhandler.h
include/openbabel-2.0/openbabel/fingerprint.h
include/openbabel-2.0/openbabel/forcefield.h
include/openbabel-2.0/openbabel/format.h
include/openbabel-2.0/openbabel/generic.h
include/openbabel-2.0/openbabel/graphsym.h
include/openbabel-2.0/openbabel/grid.h
include/openbabel-2.0/openbabel/griddata.h
include/openbabel-2.0/openbabel/groupcontrib.h
include/openbabel-2.0/openbabel/inchiformat.h
include/openbabel-2.0/openbabel/internalcoord.h
include/openbabel-2.0/openbabel/isomorphism.h
include/openbabel-2.0/openbabel/json/customwriter.h
include/openbabel-2.0/openbabel/json/json-forwards.h
include/openbabel-2.0/openbabel/json/json.h
include/openbabel-2.0/openbabel/kinetics.h
include/openbabel-2.0/openbabel/lineend.h
include/openbabel-2.0/openbabel/locale.h
include/openbabel-2.0/openbabel/math/align.h
include/openbabel-2.0/openbabel/math/erf.h
include/openbabel-2.0/openbabel/math/matrix3x3.h
include/openbabel-2.0/openbabel/math/spacegroup.h
include/openbabel-2.0/openbabel/math/transform3d.h
include/openbabel-2.0/openbabel/math/vector3.h
include/openbabel-2.0/openbabel/matrix.h
include/openbabel-2.0/openbabel/mcdlutil.h
include/openbabel-2.0/openbabel/mol.h
include/openbabel-2.0/openbabel/molchrg.h
include/openbabel-2.0/openbabel/obconversion.h
include/openbabel-2.0/openbabel/oberror.h
include/openbabel-2.0/openbabel/obiter.h
include/openbabel-2.0/openbabel/obmolecformat.h
include/openbabel-2.0/openbabel/obutil.h
include/openbabel-2.0/openbabel/op.h
include/openbabel-2.0/openbabel/optransform.h
include/openbabel-2.0/openbabel/parsmart.h
include/openbabel-2.0/openbabel/patty.h
include/openbabel-2.0/openbabel/phmodel.h
include/openbabel-2.0/openbabel/plugin.h
include/openbabel-2.0/openbabel/pointgroup.h
include/openbabel-2.0/openbabel/query.h
include/openbabel-2.0/openbabel/rand.h
include/openbabel-2.0/openbabel/reaction.h
include/openbabel-2.0/openbabel/residue.h
include/openbabel-2.0/openbabel/ring.h
include/openbabel-2.0/openbabel/rotamer.h
include/openbabel-2.0/openbabel/rotor.h
include/openbabel-2.0/openbabel/shared_ptr.h
include/openbabel-2.0/openbabel/spectrophore.h
include/openbabel-2.0/openbabel/stereo/bindings.h
include/openbabel-2.0/openbabel/stereo/cistrans.h
include/openbabel-2.0/openbabel/stereo/squareplanar.h
include/openbabel-2.0/openbabel/stereo/stereo.h
include/openbabel-2.0/openbabel/stereo/tetrahedral.h
include/openbabel-2.0/openbabel/stereo/tetranonplanar.h
include/openbabel-2.0/openbabel/stereo/tetraplanar.h
include/openbabel-2.0/openbabel/tautomer.h
include/openbabel-2.0/openbabel/text.h
include/openbabel-2.0/openbabel/tokenst.h

The first 100 are listed.

distinfo 1

File

Size

SHA256

openbabel-2.4.1.tar.gz

1.1618304e+07

204136582cdfe51d792000b20202de8950218d617fd9c6e18cee36706a376dfc

Master sites 1

Commit history 1

Date Commit Credits Log message

2026-09-06

a05b377b53

Lucas Holt

*: bump PORTREVISION for the textproc/libxml2 2.15 shared library change (#848)

`textproc/libxml2` 2.15 changed SONAME from `libxml2.so.2` to `libxml2.so.16` **and** removed ELF symbol versioning entirely — the new library defines no `LIBXML2_*` versions at all. Consumers built against the old library were never rebuilt, so they still record a dependency on `libxml2.so.2` plus version requirements nothing can satisfy, and fail at load time: ``` ld-elf.so.1: /usr/local/lib/libxml2.so.2: version LIBXML2_2.4.30 required by /usr/local/lib/libevdocument3.so.4 not defined ``` ### Scope `Tools/scripts/bump_revision.pl -f -l textproc/libxml2` — **436 Makefiles**: 323 revisions incremented, 113 gained a `PORTREVISION` line. The diff touches nothing but `PORTREVISION` lines (verified: `git diff -U0` shows no other changed line), and spot-checked ports still …