rpms/gabedit/F-9 gabedit-Makefiles.patch, NONE, 1.1 gabedit-csh.patch, NONE, 1.1 gabedit-gtkgl.patch, NONE, 1.1 gabedit.desktop, NONE, 1.1 gabedit.spec, NONE, 1.1 .cvsignore, 1.1, 1.2 sources, 1.1, 1.2
Dominik Mierzejewski (rathann)
fedora-extras-commits at redhat.com
Fri May 30 21:07:34 UTC 2008
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Author: rathann
Update of /cvs/pkgs/rpms/gabedit/F-9
In directory cvs-int.fedora.redhat.com:/tmp/cvs-serv8384
Modified Files:
.cvsignore sources
Added Files:
gabedit-Makefiles.patch gabedit-csh.patch gabedit-gtkgl.patch
gabedit.desktop gabedit.spec
Log Message:
- initial import
gabedit-Makefiles.patch:
--- NEW FILE gabedit-Makefiles.patch ---
diff -ru Gabedit214Src/CONFIG Gabedit214Src.new/CONFIG
--- Gabedit214Src/CONFIG 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/CONFIG 2008-04-28 12:27:22.000000000 +0200
@@ -14,4 +14,5 @@
WIN32LIB =
X11LIB = -lX11
CC = gcc
+OPTFLAGS = -O2 -Wall
diff -ru Gabedit214Src/gtkglarea/Makefile Gabedit214Src.new/gtkglarea/Makefile
--- Gabedit214Src/gtkglarea/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/gtkglarea/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -4,7 +4,7 @@
all: compiling
-CFLAGS = -Wall -O2 $(GTKCFLAGS) $(OGLCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS) $(OGLCFLAGS)
%.o : %.c
$(CC) -c $(CFLAGS) $< -o $@
diff -ru Gabedit214Src/src/Common/Makefile Gabedit214Src.new/src/Common/Makefile
--- Gabedit214Src/src/Common/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/Common/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = Gabedit.o Help.o Install.o Preferences.o Printer.o Run.o SplashScreen.o TextEdit.o Windows.o Status.o Exit.o MenuToolBar.o StockIcons.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/Files/Makefile Gabedit214Src.new/src/Files/Makefile
--- Gabedit214Src/src/Files/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/Files/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = FileChooser.o FolderChooser.o ListeFiles.o GabeditFolderChooser.o GabeditFileChooser.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/Gamess/Makefile Gabedit214Src.new/src/Gamess/Makefile
--- Gabedit214Src/src/Gamess/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/Gamess/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = Gamess.o GamessMolecule.o GamessControl.o GamessBasis.o GamessGuess.o GamessSCF.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/Gaussian/Makefile Gabedit214Src.new/src/Gaussian/Makefile
--- Gabedit214Src/src/Gaussian/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/Gaussian/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = GInterfaceBasis.o GInterfaceGeom.o GInterfaceLink.o GInterfaceMethodeBase.o GInterfaceRoute.o Gaussian.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/Geometry/Makefile Gabedit214Src.new/src/Geometry/Makefile
--- Gabedit214Src/src/Geometry/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/Geometry/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = DrawGeom.o EnergiesCurves.o Fragments.o GeomConversion.o GeomXYZ.o GeomZmatrix.o ImagesGeom.o InterfaceGeom.o Mesure.o Postscript.o Povray.o ResultsAnalise.o Symmetry.o RotFragments.o BuildLinear.o BuildRing.o BuildRoZPhi.o BuildPolyPeptide.o FragmentsPPD.o FragmentsPSC.o FragmentsPNA.o BuildPolySaccharide.o BuildPolyNucleicAcid.o BuildNanoTube.o PersonalFragments.o SavePersonalFragments.o LoadPersonalFragments.o FragmentsSelector.o OpenBabel.o MenuToolBarGeom.o PreviewGeom.o FragmentsTree.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/Molcas/Makefile Gabedit214Src.new/src/Molcas/Makefile
--- Gabedit214Src/src/Molcas/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/Molcas/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = Molcas.o MolcasSeward.o MolcasScf.o MolcasGridIT.o MolcasOptimisation.o MolcasVariables.o MolcasLib.o MolcasBasisLibrary.o MolcasBasis.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/MolecularMechanics/Makefile Gabedit214Src.new/src/MolecularMechanics/Makefile
--- Gabedit214Src/src/MolecularMechanics/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/MolecularMechanics/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = Atom.o Molecule.o ForceField.o MolecularMechanics.o ConjugateGradient.o SteepestDescent.o QuasiNewton.o MolecularMechanicsDlg.o CreateMolecularMechanicsFile.o CreatePersonalMMFile.o LoadMMParameters.o SetMMParameters.o CreateDefaultPDBTpl.o LoadPDBTemplate.o PDBTemplate.o SetPDBTemplate.o SavePDBTemplate.o CalculTypesAmber.o MolecularDynamics.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/Molpro/Makefile Gabedit214Src.new/src/Molpro/Makefile
--- Gabedit214Src/src/Molpro/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/Molpro/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = MolproLib.o MInterfaceBasis.o MInterfaceComm.o MInterfaceGene.o MInterfaceGeom.o Molpro.o MolproBasisLibrary.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/Mopac/Makefile Gabedit214Src.new/src/Mopac/Makefile
--- Gabedit214Src/src/Mopac/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/Mopac/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = Mopac.o MopacMolecule.o MopacRem.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/MPQC/Makefile Gabedit214Src.new/src/MPQC/Makefile
--- Gabedit214Src/src/MPQC/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/MPQC/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = MPQC.o MPQCMolecule.o MPQCMole.o MPQCGuessWaveFunction.o MPQCMpqc.o MPQCBasis.o MPQCLib.o MPQCBasisLibrary.o MPQCFunctionals.o MPQCOptimisation.o MPQCProperties.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/MultiGrid/Makefile Gabedit214Src.new/src/MultiGrid/Makefile
--- Gabedit214Src/src/MultiGrid/Makefile 2008-04-01 13:44:26.000000000 +0200
+++ Gabedit214Src.new/src/MultiGrid/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -2,7 +2,7 @@
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS) $(OGLCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS) $(OGLCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/NetWork/Makefile Gabedit214Src.new/src/NetWork/Makefile
--- Gabedit214Src/src/NetWork/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/NetWork/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = Ftp.o Process.o Rsh.o Ssh.o Scp.o FilesTransfer.o RemoteCommand.o Batch.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/OpenGL/Makefile Gabedit214Src.new/src/OpenGL/Makefile
--- Gabedit214Src/src/OpenGL/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/OpenGL/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -2,7 +2,7 @@
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS) $(OGLCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS) $(OGLCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/PCGamess/Makefile Gabedit214Src.new/src/PCGamess/Makefile
--- Gabedit214Src/src/PCGamess/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/PCGamess/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = PCGamess.o PCGamessMolecule.o PCGamessControl.o PCGamessBasis.o PCGamessGuess.o PCGamessSCF.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/QChem/Makefile Gabedit214Src.new/src/QChem/Makefile
--- Gabedit214Src/src/QChem/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/QChem/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = QChem.o QChemMolecule.o QChemRem.o QChemGuess.o QChemBasis.o QChemLib.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/Spectrum/Makefile Gabedit214Src.new/src/Spectrum/Makefile
--- Gabedit214Src/src/Spectrum/Makefile 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src.new/src/Spectrum/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = SpectrumWin.o IRSpectrum.o RamanSpectrum.o UVSpectrum.o NMRSpectrum.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/Symmetry/Makefile Gabedit214Src.new/src/Symmetry/Makefile
--- Gabedit214Src/src/Symmetry/Makefile 2008-04-01 13:44:26.000000000 +0200
+++ Gabedit214Src.new/src/Symmetry/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = MoleculeSymmetry.o MoleculeSymmetryInterface.o PolyHedralOperators.o ReducePolyHedralMolecule.o PrincipalAxis.o ReduceMolecule.o SymmetryOperators.o GenerateMolecule.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS)
all: compiling
diff -ru Gabedit214Src/src/Utils/Makefile Gabedit214Src.new/src/Utils/Makefile
--- Gabedit214Src/src/Utils/Makefile 2008-04-01 13:44:26.000000000 +0200
+++ Gabedit214Src.new/src/Utils/Makefile 2008-04-28 12:25:59.000000000 +0200
@@ -1,7 +1,7 @@
OBJECTS = GabeditTextEdit.o AtomsProp.o Jacobi.o Transformation.o Utils.o UtilsInterface.o Vector3d.o Matrix3D.o HydrogenBond.o PovrayUtils.o UtilsGL.o ConvUtils.o GabeditXYPlot.o
include ../../CONFIG
-CFLAGS = -Wall -O2 $(GTKCFLAGS) $(OGLCFLAGS)
+CFLAGS = $(OPTFLAGS) $(GTKCFLAGS) $(OGLCFLAGS)
all: compiling
gabedit-csh.patch:
--- NEW FILE gabedit-csh.patch ---
diff -up Gabedit214Src/utils/Others/gabeditRunGamess.csh.r Gabedit214Src/utils/Others/gabeditRunGamess.csh
--- Gabedit214Src/utils/Others/gabeditRunGamess.csh.p 2008-04-01 13:44:26.000000000 +0200
+++ Gabedit214Src/utils/Others/gabeditRunGamess.csh 2008-05-19 20:09:58.000000000 +0200
@@ -1,4 +1,4 @@
-#!./csh -f
+#!/bin/csh -f
# 03 Feb 05 - A.R. ALLOUCHE
#
set TARGET=sockets
gabedit-gtkgl.patch:
--- NEW FILE gabedit-gtkgl.patch ---
diff -up Gabedit214Src/Makefile.gtkgl Gabedit214Src/Makefile
--- Gabedit214Src/Makefile.gtkgl 2008-04-01 13:44:25.000000000 +0200
+++ Gabedit214Src/Makefile 2008-04-28 13:00:39.000000000 +0200
@@ -1,4 +1,4 @@
-GTKGL = gtkglarea/*.o
+GTKGL = `pkg-config --libs gtkgl-2.0`
COMMON = src/Common/*.o
FILES = src/Files/*.o
GAUSS = src/Gaussian/*.o
@@ -21,7 +21,7 @@ MULTIGRID = src/MultiGrid/*.o
include CONFIG
-SUBDIRS = gtkglarea src/OpenGL src/Common src/Files src/Gaussian \
+SUBDIRS = src/OpenGL src/Common src/Files src/Gaussian \
src/Geometry src/Spectrum src/MolecularMechanics src/Molpro src/Molcas \
src/MPQC src/Gamess src/QChem src/Mopac src/NetWork src/Utils src/Symmetry \
src/PCGamess src/MultiGrid
--- NEW FILE gabedit.desktop ---
[Desktop Entry]
Name=gabedit
Comment=Quantum chemistry interface
Exec=gabedit
Icon=gabedit
Terminal=false
Type=Application
StartupNotify=true
Categories=GNOME;GTK;Education;Chemistry;
--- NEW FILE gabedit.spec ---
%define version 2.1.4
%define tarver 214
Name: gabedit
Summary: GUI for computational chemistry
Version: %{version}
Release: 2%{?dist}
Source0: http://downloads.sourceforge.net/sourceforge/gabedit/Gabedit%{tarver}Src.tar.gz
Source1: %{name}.desktop
Patch0: %{name}-Makefiles.patch
Patch1: %{name}-gtkgl.patch
Patch2: %{name}-csh.patch
URL: http://gabedit.sourceforge.net/home.html
License: MIT
Group: Applications/Engineering
BuildRoot: %{_tmppath}/%{name}-%{version}-%{release}-root-%(id -u -n)
BuildRequires: desktop-file-utils
BuildRequires: gtk2-devel
BuildRequires: gtkglarea2-devel
BuildRequires: libGLU-devel
BuildRequires: libjpeg-devel
%description
Gabedit is a Graphical User Interface to Gamess-US, Gaussian, Molcas, Molpro
and MPQC computational chemistry packages. Gabedit includes graphical
facilities for generating keywords and options, molecule specifications and
their input sections for even the most advanced calculation types. Gabedit
includes an advanced Molecule Builder. You can use it to rapidly sketch in
molecules and examine them in three dimensions. You can build molecules by
atom, ring, group, amino acid and nucleoside. You can also read geometry from
a file. Most major molecular file formats are supported.
Gabedit includes a Gamess-US, Gaussian, Molcas, Molpro and MPQC Calculation
Setup window which allows you to set up Gamess-US, Gaussian, Molcas, Molpro
and MPQC jobs in a simple and straightforward manner.
Gabedit can graphically display a variety of Gamess-US, Gaussian, Molcas,
Molpro, MPQC 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 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).
%prep
%setup -q -n Gabedit%{tarver}Src
%patch0 -p1 -b .M
%patch1 -p1 -b .gtkgl
%patch2 -p1
# remove bundled pre-built binaries
%{__rm} utils/MolecularMechanics/{createTPLfile,createmmfile}
%{__rm} utils/Others/{addInclude,addVirgul,createH}
# remove Win32-specific files
%{__rm} -r utils/InnosSetupScriptWin32
%{__rm} utils/Others/Gabedit206.iss
%build
%{__make} %{?_smp_mflags} OPTFLAGS="$RPM_OPT_FLAGS"
%install
rm -rf %{buildroot}
install -d %{buildroot}/%{_bindir}
install -pm755 %{name} %{buildroot}/%{_bindir}
install -d %{buildroot}%{_datadir}/applications
desktop-file-install --vendor=fedora \
--dir=%{buildroot}%{_datadir}/applications \
%{SOURCE1}
for size in 16 32 48 ; do
install -d %{buildroot}/%{_datadir}/icons/hicolor/${size}x${size}/apps
install -pm644 icons/Gabedit$size.png %{buildroot}/%{_datadir}/icons/hicolor/${size}x${size}/apps/%{name}.png
done
%clean
rm -rf %{buildroot}
%post
touch --no-create %{_datadir}/icons/hicolor
if [ -x %{_bindir}/gtk-update-icon-cache ]; then
%{_bindir}/gtk-update-icon-cache --quiet %{_datadir}/icons/hicolor || :
fi
%postun
touch --no-create %{_datadir}/icons/hicolor
if [ -x %{_bindir}/gtk-update-icon-cache ]; then
%{_bindir}/gtk-update-icon-cache --quiet %{_datadir}/icons/hicolor || :
fi
%files
%defattr(-,root,root)
%doc ChangeLog License utils
%{_bindir}/%{name}
%{_datadir}/applications/*.desktop
%{_datadir}/icons/hicolor/*/apps/*.png
%changelog
* Mon May 19 2008 Dominik Mierzejewski <rpm at greysector.net> 2.1.4-2
- standardized SourceForge source URL
- made _smp_flags usage optional
- don't install bundled pre-built binaries
- don't install Win32-specific files
- use proper csh path in a script in utils
* Mon Apr 28 2008 Dominik Mierzejewski <rpm at greysector.net> 2.1.4-1
- adapted Mandriva specfile
- updated to 2.1.4
- patched to use system gtkglarea
Index: .cvsignore
===================================================================
RCS file: /cvs/pkgs/rpms/gabedit/F-9/.cvsignore,v
retrieving revision 1.1
retrieving revision 1.2
diff -u -r1.1 -r1.2
--- .cvsignore 30 May 2008 19:34:40 -0000 1.1
+++ .cvsignore 30 May 2008 21:05:13 -0000 1.2
@@ -0,0 +1 @@
+Gabedit214Src.tar.gz
Index: sources
===================================================================
RCS file: /cvs/pkgs/rpms/gabedit/F-9/sources,v
retrieving revision 1.1
retrieving revision 1.2
diff -u -r1.1 -r1.2
--- sources 30 May 2008 19:34:40 -0000 1.1
+++ sources 30 May 2008 21:05:13 -0000 1.2
@@ -0,0 +1 @@
+8f5b4422c46a9cf24fa6b974ca271c1f Gabedit214Src.tar.gz
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