diff options
author | Ying-Chieh Liao <ijliao@FreeBSD.org> | 2003-01-05 17:04:59 +0000 |
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committer | Ying-Chieh Liao <ijliao@FreeBSD.org> | 2003-01-05 17:04:59 +0000 |
commit | 61abcdd9db696caf129e9ad9e8ead63f7eb2edab (patch) | |
tree | 71042d031184e74011622be72b6ad8939b0a798b /science | |
parent | Resort the MASTER_SITES to distribute the ftp load. (diff) |
add openbabel 1.100.0
Chemistry file translation program
Notes
Notes:
svn path=/head/; revision=72577
Diffstat (limited to 'science')
-rw-r--r-- | science/Makefile | 1 | ||||
-rw-r--r-- | science/openbabel/Makefile | 21 | ||||
-rw-r--r-- | science/openbabel/distinfo | 1 | ||||
-rw-r--r-- | science/openbabel/pkg-comment | 1 | ||||
-rw-r--r-- | science/openbabel/pkg-descr | 19 | ||||
-rw-r--r-- | science/openbabel/pkg-plist | 9 |
6 files changed, 52 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index 2ce613a6c1dc..24c3e3df2f14 100644 --- a/science/Makefile +++ b/science/Makefile @@ -14,6 +14,7 @@ SUBDIR += mpqc SUBDIR += mpqc-mpich SUBDIR += oases + SUBDIR += openbabel SUBDIR += p5-Chemistry-Elements SUBDIR += vis5d+ SUBDIR += xloops-ginac diff --git a/science/openbabel/Makefile b/science/openbabel/Makefile new file mode 100644 index 000000000000..4ed42b23a79f --- /dev/null +++ b/science/openbabel/Makefile @@ -0,0 +1,21 @@ +# ex:ts=8 +# Ports collection makefile for: openbabel +# Date created: Jan 5, 2003 +# Whom: ijliao +# +# $FreeBSD$ +# + +PORTNAME= openbabel +PORTVERSION= 1.100.0 +CATEGORIES= science +MASTER_SITES= ${MASTER_SITE_SOURCEFORGE} +MASTER_SITE_SUBDIR= ${PORTNAME} + +MAINTAINER= ports@FreeBSD.org + +GNU_CONFIGURE= yes + +MAN1= babel.1 + +.include <bsd.port.mk> diff --git a/science/openbabel/distinfo b/science/openbabel/distinfo new file mode 100644 index 000000000000..7906515b0eb8 --- /dev/null +++ b/science/openbabel/distinfo @@ -0,0 +1 @@ +MD5 (openbabel-1.100.0.tar.gz) = 6001013ebb0c4eca28e56a5d777bea39 diff --git a/science/openbabel/pkg-comment b/science/openbabel/pkg-comment new file mode 100644 index 000000000000..54e42b027f31 --- /dev/null +++ b/science/openbabel/pkg-comment @@ -0,0 +1 @@ +Chemistry file translation program diff --git a/science/openbabel/pkg-descr b/science/openbabel/pkg-descr new file mode 100644 index 000000000000..11a1956c6806 --- /dev/null +++ b/science/openbabel/pkg-descr @@ -0,0 +1,19 @@ +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...) + +WWW: http://openbabel.sourceforge.net/ diff --git a/science/openbabel/pkg-plist b/science/openbabel/pkg-plist new file mode 100644 index 000000000000..1ad634158f0b --- /dev/null +++ b/science/openbabel/pkg-plist @@ -0,0 +1,9 @@ +bin/babel +share/openbabel/aromatic.txt +share/openbabel/atomtyp.txt +share/openbabel/element.txt +share/openbabel/extable.txt +share/openbabel/phmodel.txt +share/openbabel/resdata.txt +share/openbabel/types.txt +@dirrm share/openbabel |