add openbabel 1.100.0

Chemistry file translation program

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