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academic/wxmacmolplt: Updated for version 7.4.4.

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Signed-off-by: dsomero <xgizzmo@slackbuilds.org>
This commit is contained in:
Daniil Bratashov 2013-02-10 10:25:48 -05:00 committed by dsomero
parent 9ecf9746bd
commit 572643dc8f
4 changed files with 48 additions and 19 deletions
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12
academic/wxmacmolplt/wxmacmolplt-7.4.3-kdiag.patch
View file

@ -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;

22
academic/wxmacmolplt/wxmacmolplt-7.4.4-files.patch Normal file
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@ -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;

27
academic/wxmacmolplt/wxmacmolplt.SlackBuild
View file

@ -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" \

6
academic/wxmacmolplt/wxmacmolplt.info
View file

@ -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"