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authorYing-Chieh Liao <ijliao@FreeBSD.org>2003-01-05 17:04:59 +0000
committerYing-Chieh Liao <ijliao@FreeBSD.org>2003-01-05 17:04:59 +0000
commit61abcdd9db696caf129e9ad9e8ead63f7eb2edab (patch)
tree71042d031184e74011622be72b6ad8939b0a798b /science/openbabel
parent2ab286d8903f3558a1034843bff6cd0055b368a0 (diff)
downloadports-61abcdd9db696caf129e9ad9e8ead63f7eb2edab.tar.gz
ports-61abcdd9db696caf129e9ad9e8ead63f7eb2edab.zip
Notes
Diffstat (limited to 'science/openbabel')
-rw-r--r--science/openbabel/Makefile21
-rw-r--r--science/openbabel/distinfo1
-rw-r--r--science/openbabel/pkg-comment1
-rw-r--r--science/openbabel/pkg-descr19
-rw-r--r--science/openbabel/pkg-plist9
5 files changed, 51 insertions, 0 deletions
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