rpms/gausssum/devel gausssum-cclib.patch, NONE, 1.1 gausssum.desktop, NONE, 1.1 gausssum.spec, NONE, 1.1 import.log, NONE, 1.1 .cvsignore, 1.1, 1.2 sources, 1.1, 1.2

[Jussi Lehtola]

Author: jussilehtola

Update of /cvs/pkgs/rpms/gausssum/devel
In directory cvs1.fedora.phx.redhat.com:/tmp/cvs-serv15442/devel

Modified Files:
	.cvsignore sources 
Added Files:
	gausssum-cclib.patch gausssum.desktop gausssum.spec import.log 
Log Message:
Imported in Fedora.


gausssum-cclib.patch:

--- NEW FILE gausssum-cclib.patch ---
diff -up GaussSum-2.1.6/gausssum/aboutbox.py.orig GaussSum-2.1.6/gausssum/aboutbox.py
--- GaussSum-2.1.6/gausssum/aboutbox.py.orig	2009-04-14 12:08:55.000000000 +0300
+++ GaussSum-2.1.6/gausssum/aboutbox.py	2009-05-03 09:15:46.000000000 +0300
@@ -21,7 +21,7 @@ import traceback
 import copy             # For deepcopy...until I find a better way of doing this
 import ConfigParser     # For writing the settings to an .ini file
 
-from gausssum.cclib.parser import ADF, GAMESS, Gaussian
+from cclib.parser import ADF, GAMESS, Gaussian
 import os, sys
 if hasattr(sys, "frozen"): # i.e. if using py2exe
     installlocation = os.path.dirname(sys.executable)
diff -up GaussSum-2.1.6/gausssum/electrontrans.py.orig GaussSum-2.1.6/gausssum/electrontrans.py
--- GaussSum-2.1.6/gausssum/electrontrans.py.orig	2009-04-14 12:08:55.000000000 +0300
+++ GaussSum-2.1.6/gausssum/electrontrans.py	2009-05-03 09:15:56.000000000 +0300
@@ -4,7 +4,7 @@ import math
 import numpy
 import pdb
 from gausssum.utils import GaussianSpectrum, levelname, percent
-from gausssum.cclib.parser.utils import convertor
+from cclib.parser.utils import convertor
 
 from Tkinter import *
 from gnupy import Gnuplot
diff -up GaussSum-2.1.6/gausssum/gausssumgui.py.orig GaussSum-2.1.6/gausssum/gausssumgui.py
--- GaussSum-2.1.6/gausssum/gausssumgui.py.orig	2009-04-14 12:08:58.000000000 +0300
+++ GaussSum-2.1.6/gausssum/gausssumgui.py	2009-05-03 09:16:06.000000000 +0300
@@ -22,7 +22,7 @@ import copy             # For deepcopy..
 import ConfigParser     # For writing the settings to an .ini file
 import logging
 
-from gausssum.cclib.parser import ADF, GAMESS, Gaussian, ccopen
+from cclib.parser import ADF, GAMESS, Gaussian, ccopen
 from gausssum.preferencesbox import PreferencesPopupBox
 from gausssum.aboutbox import AboutPopupBox
 from gausssum.popanalysis import Popanalysis
diff -up GaussSum-2.1.6/gausssum/preferencesbox.py.orig GaussSum-2.1.6/gausssum/preferencesbox.py
--- GaussSum-2.1.6/gausssum/preferencesbox.py.orig	2009-04-14 12:08:55.000000000 +0300
+++ GaussSum-2.1.6/gausssum/preferencesbox.py	2009-05-03 09:16:20.000000000 +0300
@@ -21,7 +21,7 @@ import traceback
 import copy             # For deepcopy...until I find a better way of doing this
 import ConfigParser     # For writing the settings to an .ini file
 
-from gausssum.cclib.parser import ADF, GAMESS, Gaussian
+from cclib.parser import ADF, GAMESS, Gaussian
 from gausssum.plot import DisplayPlot
 from gausssum.gnupy import Gnuplot
 
diff -up GaussSum-2.1.6/gausssum/utils.py.orig GaussSum-2.1.6/gausssum/utils.py
--- GaussSum-2.1.6/gausssum/utils.py.orig	2009-04-14 12:08:55.000000000 +0300
+++ GaussSum-2.1.6/gausssum/utils.py	2009-05-03 09:16:30.000000000 +0300
@@ -21,7 +21,7 @@ import traceback
 import copy             # For deepcopy...until I find a better way of doing this
 import ConfigParser     # For writing the settings to an .ini file
 
-from gausssum.cclib.parser.utils import PeriodicTable
+from cclib.parser.utils import PeriodicTable
 # from cclib.parser.utils import PeriodicTable
 
 import numpy


--- NEW FILE gausssum.desktop ---
[Desktop Entry]
Name=GaussSum
GenericName=GaussSum
Comment=Analyze output of Quantum Chemistry packages
Exec=GaussSum.py
Icon=GaussSum
Terminal=false
Type=Application
Categories=Science;Education;Chemistry;Physics;DataVisualization;


--- NEW FILE gausssum.spec ---
%{!?python_sitelib: %global python_sitelib %(python -c "from distutils.sysconfig import get_python_lib; print get_python_lib()")}

Name:		gausssum
Version:	2.1.6
Release:	3%{?dist}
Summary:	A GUI application for analysis of output of quantum computations
Group:		Applications/Engineering
License:	GPLv2+
URL:		http://gausssum.sourceforge.net/
Source0:	http://downloads.sourceforge.net/%{name}/GaussSum-%{version}.tar.gz
Source1:	gausssum.desktop
# Patch to use system python-cclib instead of own copy
Patch0:		gausssum-cclib.patch
BuildRoot:	%(mktemp -ud %{_tmppath}/%{name}-%{version}-%{release}-XXXXXX)
BuildArch:	noarch

# For converting .ico into .png
BuildRequires:	ImageMagick
BuildRequires:	desktop-file-utils

Requires:	gnuplot
Requires:	numpy
Requires:	python-cclib
Requires:	python-imaging-tk

%description
GaussSum is a GUI application that can analyse the output of ADF, GAMESS (US),
GAMESS-UK, Gaussian, Jaguar and PC GAMESS to extract and calculate useful
information. This includes the progress of the SCF cycles, geometry
optimisation, UV-Vis/IR/Raman spectra, MO levels, MO contributions and more.

%prep
%setup -q -n GaussSum-%{version}
%patch0 -p1
# Change location of documentation
sed 's|os.path.join(installlocation,"Docs","index.html")|"%{_docdir}/%{name}-%{version}/Docs/index.html"|g' \
 gausssum/gausssumgui.py > gausssum/gausssumgui.py.new && \
touch -r gausssum/gausssumgui.py gausssum/gausssumgui.py.new && \
mv gausssum/gausssumgui.py.new gausssum/gausssumgui.py

# Fix gnuplot location
sed 's|os.path.join(installlocation,"gnuplot400","bin","wgnuplot.exe")|"%{_bindir}/gnuplot"|g' \
  gausssum/gausssumgui.py > gausssum/gausssumgui.py.new && \
touch -r gausssum/gausssumgui.py gausssum/gausssumgui.py.new && \
mv gausssum/gausssumgui.py.new gausssum/gausssumgui.py


# Fix end of line encodings
for file in Docs/style.css gausssum/*.py gausssum/cclib/*.py; do
 sed -e 's|\r||g' $file > $file.new && \
 touch -r $file $file.new && \
 mv $file.new $file
done

# Fix attributes
find gausssum/ -name "*.py" -exec chmod 644 {} \;
chmod 644 Docs/mesh.gif Docs/style.css

# Convert icon into png
convert GaussSum.ico GaussSum.png

# Remove integrated cclib
rm -rf gausssum/cclib

%build

%install
rm -rf %{buildroot} 
mkdir -p %{buildroot}%{python_sitelib}
# Install python library
cp -a %{name} %{buildroot}%{python_sitelib}
# Install python executable itself
install -D -p -m 755 GaussSum.py %{buildroot}%{_bindir}/GaussSum.py
# Install icon
install -D -p -m 644 GaussSum.png %{buildroot}%{_datadir}/pixmaps/GaussSum.png
# Install desktop file
desktop-file-install --dir=%{buildroot}%{_datadir}/applications %{SOURCE1}

%clean
rm -rf %{buildroot} 

%files
%defattr(-,root,root,-)
%doc Docs/
%{_bindir}/GaussSum.py
%{python_sitelib}/%{name}/
%{_datadir}/applications/%{name}.desktop
%{_datadir}/pixmaps/GaussSum.png
# Older rpm versions generate compiled Python objects in bindir
%if 0%{?fedora} < 11
%exclude %{_bindir}/GaussSum.pyc
%exclude %{_bindir}/GaussSum.pyo
%endif

%changelog
* Sun May 03 2009 Jussi Lehtola <jussi.lehtola at iki.fi> - 2.1.6-3
- Final eview fixes.

* Sun May 03 2009 Jussi Lehtola <jussi.lehtola at iki.fi> - 2.1.6-2
- Review fixes.

* Wed Apr 29 2009 Jussi Lehtola <jussi.lehtola at iki.fi> - 2.1.6-1
- First release.


--- NEW FILE import.log ---
gausssum-2_1_6-3_fc10:HEAD:gausssum-2.1.6-3.fc10.src.rpm:1241418113


Index: .cvsignore
===================================================================
RCS file: /cvs/pkgs/rpms/gausssum/devel/.cvsignore,v
retrieving revision 1.1
retrieving revision 1.2
diff -u -p -r1.1 -r1.2
--- .cvsignore	4 May 2009 03:46:27 -0000	1.1
+++ .cvsignore	4 May 2009 06:24:04 -0000	1.2
@@ -0,0 +1 @@
+GaussSum-2.1.6.tar.gz


Index: sources
===================================================================
RCS file: /cvs/pkgs/rpms/gausssum/devel/sources,v
retrieving revision 1.1
retrieving revision 1.2
diff -u -p -r1.1 -r1.2
--- sources	4 May 2009 03:46:27 -0000	1.1
+++ sources	4 May 2009 06:24:04 -0000	1.2
@@ -0,0 +1 @@
+80d0c796f1fc8d2959bb28a8e9f09d58  GaussSum-2.1.6.tar.gz