Import Gabedit 2.4.8 as biology/gabedit.

Gabedit is a graphical user interface to computational chemistry
packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC,
OpenMopac, Orca, PCGamess and Q-Chem.

It can display a variety of calculation results including
support for most major molecular file formats.
The advanced "Molecule Builder" allows to rapidly sketch in
molecules and examine them in 3D. Graphics can be exported to
various formats, including animations.

Major features

 * Gabedit can create input file for GAMESS(US), GAUSSIAN,
   MOLCAS, MOLPRO , MPQC, OpenMopac, Orca, PCGamess and Q-Chem.
 * Gabedit can graphically display a variety of Gamess-US,
   Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess,
   Q-Chem, (partially) ErgoSCF and (partially) ADF calculation
   results, including the following:
     + Molecular orbitals.
     + Surfaces from the electron density, electrostatic
       potential, NMR shielding density, and other properties.
     + Surfaces may be displayed in solid, translucent and wire
       mesh modes. they are can be colorcoded by a separate property.
     + Contours (colorcoded), Planes colorcoded, Dipole. XYZ axes
       and the principal axes of the molecule.
     + Animation of the normal modes corresponding to vibrational
       frequencies. 
     + Animation of the rotation of geometry, surfaces, contours,
       planes colorcoded, xyz and the principal axes of the molecule.
     + Animation of contours, Animation of planes colorcoded.
 * Gabedit can display UV-Vis, IR and Raman computed spectra.
 * Gabedit can generate a povray file for geometry (including
   hydrogen's bond),surfaces (including colorcoded surfaces),
   contours, planes colorcoded.
 * Gabedit can save picture in BMP, JPEG, PNG, PPM and PS format.
 * Gabedit can generate automatically a series of pictures
   for animation (vibration, geometry convergence, rotation, contours,
   planes colorcoded).
 * Simulated Annealing with Molecular Dynamics is implemented in Gabedit
   (using Amber 99 molecular mechanics parameters).

5 files changed, 86 insertions, 0 deletions

diff --git a/biology/gabedit/DESCR b/biology/gabedit/DESCR
new file mode 100644
index 00000000000..d2d29f51602
--- /dev/null
+++ b/biology/gabedit/DESCR
@@ -0,0 +1,40 @@
+Gabedit is a graphical user interface to computational chemistry
+packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC,
+OpenMopac, Orca, PCGamess and Q-Chem.
+
+It can display a variety of calculation results including
+support for most major molecular file formats.
+The advanced "Molecule Builder" allows to rapidly sketch in
+molecules and examine them in 3D. Graphics can be exported to
+various formats, including animations.
+
+Major features
+
+ * Gabedit can create input file for GAMESS(US), GAUSSIAN,
+   MOLCAS, MOLPRO , MPQC, OpenMopac, Orca, PCGamess and Q-Chem.
+ * Gabedit can graphically display a variety of Gamess-US,
+   Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess,
+   Q-Chem, (partially) ErgoSCF and (partially) ADF calculation
+   results, including the following:
+     + Molecular orbitals.
+     + Surfaces from the electron density, electrostatic
+       potential, NMR shielding density, and other properties.
+     + Surfaces may be displayed in solid, translucent and wire
+       mesh modes. they are can be colorcoded by a separate property.
+     + Contours (colorcoded), Planes colorcoded, Dipole. XYZ axes
+       and the principal axes of the molecule.
+     + Animation of the normal modes corresponding to vibrational
+       frequencies. 
+     + Animation of the rotation of geometry, surfaces, contours,
+       planes colorcoded, xyz and the principal axes of the molecule.
+     + Animation of contours, Animation of planes colorcoded.
+ * Gabedit can display UV-Vis, IR and Raman computed spectra.
+ * Gabedit can generate a povray file for geometry (including
+   hydrogen's bond),surfaces (including colorcoded surfaces),
+   contours, planes colorcoded.
+ * Gabedit can save picture in BMP, JPEG, PNG, PPM and PS format.
+ * Gabedit can generate automatically a series of pictures
+   for animation (vibration, geometry convergence, rotation, contours,
+   planes colorcoded).
+ * Simulated Annealing with Molecular Dynamics is implemented in Gabedit
+   (using Amber 99 molecular mechanics parameters).
diff --git a/biology/gabedit/Makefile b/biology/gabedit/Makefile
new file mode 100644
index 00000000000..80635f20340
--- /dev/null
+++ b/biology/gabedit/Makefile
@@ -0,0 +1,24 @@
+# $NetBSD: Makefile,v 1.1.1.1 2015/07/22 19:05:10 asau Exp $
+
+PKGNAME=	gabedit-2.4.8
+DISTNAME=	GabeditSrc248
+CATEGORIES=	biology
+MASTER_SITES=	$(MASTER_SITE_SOURCEFORGE:=gabedit/)
+
+MAINTAINER=	asau@inbox.ru
+HOMEPAGE=	http://gabedit.sourceforge.net/
+COMMENT=	A Graphical User Interface to computational chemistry packages
+
+USE_TOOLS=	gmake pkg-config
+
+INSTALLATION_DIRS=	bin
+
+do-configure:
+	cd $(WRKSRC) && cp platforms/CONFIG.unix CONFIG
+
+do-install:
+	$(INSTALL_PROGRAM) $(WRKSRC)/gabedit $(DESTDIR)$(PREFIX)/bin
+
+.include "../../x11/gtk2/buildlink3.mk"
+.include "../../graphics/gtkglext/buildlink3.mk"
+.include "../../mk/bsd.pkg.mk"
diff --git a/biology/gabedit/PLIST b/biology/gabedit/PLIST
new file mode 100644
index 00000000000..00a6ea8a39f
--- /dev/null
+++ b/biology/gabedit/PLIST
@@ -0,0 +1,2 @@
+@comment $NetBSD: PLIST,v 1.1.1.1 2015/07/22 19:05:10 asau Exp $
+bin/gabedit
diff --git a/biology/gabedit/distinfo b/biology/gabedit/distinfo
new file mode 100644
index 00000000000..28b0f94bf77
--- /dev/null
+++ b/biology/gabedit/distinfo
@@ -0,0 +1,6 @@
+$NetBSD: distinfo,v 1.1.1.1 2015/07/22 19:05:10 asau Exp $
+
+SHA1 (GabeditSrc248.tar.gz) = 7a48f42c39258471faa0a3942890c16b6290de41
+RMD160 (GabeditSrc248.tar.gz) = 8dec36e32d493c8e024b7a5bdc386da48ad79675
+Size (GabeditSrc248.tar.gz) = 1992373 bytes
+SHA1 (patch-src_Common_Gabedit.c) = 44d14190db24e88c20618a0167b2699e234288e8
diff --git a/biology/gabedit/patches/patch-src_Common_Gabedit.c b/biology/gabedit/patches/patch-src_Common_Gabedit.c
new file mode 100644
index 00000000000..4ee097602f8
--- /dev/null
+++ b/biology/gabedit/patches/patch-src_Common_Gabedit.c
@@ -0,0 +1,14 @@
+$NetBSD: patch-src_Common_Gabedit.c,v 1.1.1.1 2015/07/22 19:05:10 asau Exp $
+
+--- src/Common/Gabedit.c.orig	2013-10-30 12:46:50.000000000 +0000
++++ src/Common/Gabedit.c
+@@ -26,6 +26,9 @@ DEALINGS IN THE SOFTWARE.
+ #include <glib/gi18n.h>
+ #include <stdlib.h>
+ #include <unistd.h>
++#if defined(__NetBSD__)
++#include <locale.h>
++#endif
+ 
+ #include "Global.h"
+ #include "MenuToolBar.h"