From 15d28aeccd4253c3a5fe78396dece8f6da443c55 Mon Sep 17 00:00:00 2001 From: Jussi Lehtola Date: May 04 2009 06:24:04 +0000 Subject: Imported in Fedora. --- diff --git a/.cvsignore b/.cvsignore index e69de29..e8e3f6b 100644 --- a/.cvsignore +++ b/.cvsignore @@ -0,0 +1 @@ +GaussSum-2.1.6.tar.gz diff --git a/gausssum-cclib.patch b/gausssum-cclib.patch new file mode 100644 index 0000000..9599379 --- /dev/null +++ b/gausssum-cclib.patch @@ -0,0 +1,60 @@ +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 diff --git a/gausssum.desktop b/gausssum.desktop new file mode 100644 index 0000000..571f34c --- /dev/null +++ b/gausssum.desktop @@ -0,0 +1,9 @@ +[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; diff --git a/gausssum.spec b/gausssum.spec new file mode 100644 index 0000000..a471001 --- /dev/null +++ b/gausssum.spec @@ -0,0 +1,103 @@ +%{!?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 - 2.1.6-3 +- Final eview fixes. + +* Sun May 03 2009 Jussi Lehtola - 2.1.6-2 +- Review fixes. + +* Wed Apr 29 2009 Jussi Lehtola - 2.1.6-1 +- First release. diff --git a/import.log b/import.log new file mode 100644 index 0000000..4d9abff --- /dev/null +++ b/import.log @@ -0,0 +1 @@ +gausssum-2_1_6-3_fc10:HEAD:gausssum-2.1.6-3.fc10.src.rpm:1241418113 diff --git a/sources b/sources index e69de29..7014b96 100644 --- a/sources +++ b/sources @@ -0,0 +1 @@ +80d0c796f1fc8d2959bb28a8e9f09d58 GaussSum-2.1.6.tar.gz