academic/wxmacmolplt: Updated for version 7.4.4.

Signed-off-by: dsomero <xgizzmo@slackbuilds.org>

4 files changed, 48 insertions, 19 deletions

diff --git a/academic/wxmacmolplt/wxmacmolplt-7.4.3-kdiag.patch b/academic/wxmacmolplt/wxmacmolplt-7.4.3-kdiag.patch
deleted file mode 100644
index f9e48f9d6b23b..0000000000000
--- a/academic/wxmacmolplt/wxmacmolplt-7.4.3-kdiag.patch
+++ /dev/null
@@ -1,12 +0,0 @@
---- src/Files.cpp.orig	2012-03-24 18:51:08.000000000 +0400
-+++ src/Files.cpp	2012-03-24 18:51:54.000000000 +0400
-@@ -3892,7 +3892,9 @@
- 		sscanf(&(LineText[6]), "%d", &temp);
- 		SetDiag(temp);
- 	}
-+	Buffer->SetFilePos(EndPos);
- }
-+
- long MolDisplayWin::OpenGAMESSTRJ(BufferFile * Buffer, bool Append, long flip, float offset)
- {
- 	TypeOfRun		runType=InvalidRunType;
diff --git a/academic/wxmacmolplt/wxmacmolplt-7.4.4-files.patch b/academic/wxmacmolplt/wxmacmolplt-7.4.4-files.patch
new file mode 100644
index 0000000000000..e02e4ae7e6fa9
--- /dev/null
+++ b/academic/wxmacmolplt/wxmacmolplt-7.4.4-files.patch
@@ -0,0 +1,22 @@
+--- src/Files.cpp.orig	2012-12-30 22:55:10.000000000 +0400
++++ src/Files.cpp	2013-01-20 22:10:48.000000000 +0400
+@@ -2420,7 +2420,8 @@
+ //	}
+ 	std::vector<std::pair <std::string, int> > OptKeywords; //search tokens for optimizations
+ 	OptKeywords.push_back(make_pair (std::string("BEGINNING GEOMETRY SEARCH POINT"), 0));
+-	OptKeywords.push_back(make_pair (std::string("1NSERCH"), 1));
++	OptKeywords.push_back(make_pair (std::string("1NSERCH"), 1));
++	OptKeywords.push_back(make_pair (std::string("COORDINATES OF ALL ATOMS ARE (ANGS)"), 2));
+ 	
+ 	if (Append) {
+ 		Buffer->LocateKeyWord("RUN TITLE", 9);	//find and skip over run title since
+@@ -3921,7 +3921,9 @@
+ 		sscanf(&(LineText[6]), "%d", &temp);
+ 		SetDiag(temp);
+ 	}
++	Buffer->SetFilePos(EndPos);
+ }
++
+ long MolDisplayWin::OpenGAMESSTRJ(BufferFile * Buffer, bool Append, long flip, float offset)
+ {
+ 	TypeOfRun		runType=InvalidRunType;
diff --git a/academic/wxmacmolplt/wxmacmolplt.SlackBuild b/academic/wxmacmolplt/wxmacmolplt.SlackBuild
index 6bfafaf069f6a..06533e7481c9e 100644
--- a/academic/wxmacmolplt/wxmacmolplt.SlackBuild
+++ b/academic/wxmacmolplt/wxmacmolplt.SlackBuild
@@ -2,11 +2,29 @@
 
 # Slackware build script for wxmacmolplt
 
-# Written by Daniil Bratashov <dn2010@gmail.com>
+# Copyright 2012 Daniil Bratashov <dn2010@gmail.com>
+# All rights reserved.
+#
+# Redistribution and use of this script, with or without modification, is
+# permitted provided that the following conditions are met:
+#
+# 1. Redistributions of this script must retain the above copyright
+#    notice, this list of conditions and the following disclaimer.
+#
+#  THIS SOFTWARE IS PROVIDED BY THE AUTHOR "AS IS" AND ANY EXPRESS OR IMPLIED
+#  WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF
+#  MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED.  IN NO
+#  EVENT SHALL THE AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+#  SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+#  PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
+#  OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
+#  WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
+#  OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
+#  ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 
 PRGNAM=wxmacmolplt
-VERSION=${VERSION:-7.4.3}
-BUILD=${BUILD:-2}
+VERSION=${VERSION:-7.4.4}
+BUILD=${BUILD:-1}
 TAG=${TAG:-_SBo}
 
 if [ -z "$ARCH" ]; then
@@ -59,7 +77,8 @@ patch -p1 < $CWD/wxmacmolplt-7.2.1-raman.patch
 patch -p1 < $CWD/wxmacmolplt-7.4-firefly.patch
 
 # Fix for endless loop in system group read
-patch -p0 < $CWD/wxmacmolplt-7.4.3-kdiag.patch
+# Fix for energy plot with firefly 8
+patch -p0 < $CWD/wxmacmolplt-7.4.4-files.patch
 
 CFLAGS="$SLKCFLAGS" \
 CXXFLAGS="$SLKCFLAGS" \
diff --git a/academic/wxmacmolplt/wxmacmolplt.info b/academic/wxmacmolplt/wxmacmolplt.info
index bf09585742f65..e5b41179dac33 100644
--- a/academic/wxmacmolplt/wxmacmolplt.info
+++ b/academic/wxmacmolplt/wxmacmolplt.info
@@ -1,8 +1,8 @@
 PRGNAM="wxmacmolplt"
-VERSION="7.4.3"
+VERSION="7.4.4"
 HOMEPAGE="http://www.scl.ameslab.gov/MacMolPlt/"
-DOWNLOAD="http://www.scl.ameslab.gov/MacMolPlt/download/wxmacmolplt-7.4.3.tar.gz"
-MD5SUM="d4fb4788fec48dcb7f206c812541d09a"
+DOWNLOAD="http://www.scl.ameslab.gov/MacMolPlt/download/wxmacmolplt-7.4.4.tar.gz"
+MD5SUM="efe722c0964689f94795dfad96116ea9"
 DOWNLOAD_x86_64=""
 MD5SUM_x86_64=""
 REQUIRES="ming wxPython"