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File p4vasp.spec of Package p4vasp
Summary: A visualisation program for the Vienna Ab-initio Simulation Package (VASP). Name: p4vasp Version: 0.3.20 Release: 1 License: GPL,LGPL Group: Applications/Productivity Source0: p4vasp-0.3.20.tgz BuildRoot: /tmp/buildroot_p4vasp Requires: python >= 2.2, pygtk2, fltk, python-numeric, python-sqlite2 BuildRequires: python2-devel, libX11-devel, gcc-c++, gcc-gfortran, readline-devel, sqlite-devel, python-sqlite2, fltk-devel, mesa-libGL-devel %if ! (0%{?fedora} > 12 || 0%{?rhel} > 5) %{!?python_sitelib: %global python_sitelib %(%{__python} -c "from distutils.sysconfig import get_python_lib; print(get_python_lib())")} %{!?python_sitearch: %global python_sitearch %(%{__python} -c "from distutils.sysconfig import get_python_lib; print(get_python_lib(1))")} %endif %description P4vasp is a visualization suite for the Vienna Ab-initio Simulation Package (VASP). It contains an extensible GUI framework, that can be used to view material structure, density of states, band-structure and more. It provides a python library, that greatly simplifies the process of manipulation of the VASP input and output data in python scripts. P4vasp utilizes also many handy routines and objects e.g. for creating 2D graphs, data storage (xml,DOM) or simple matrix library. For the convenience, two packages are embedded in this distribution: a slightly modified piddle package (http://piddle.sourceforge.net) and the ODPdom library (http://www.sourceforge.net/projects/odpdom). ODPdom a simple XML-DOM parser capable of reading large (~100MB) xml files. %prep %setup #%patch -p1 -b .buildroot %build make %install rm -rf $RPM_BUILD_ROOT P4VASP_HOME="$RPM_BUILD_ROOT/usr/lib/p4vasp" SITE_PACKAGES=$RPM_BUILD_ROOT/%{python_sitelib} BINDIR=$RPM_BUILD_ROOT/%{_bindir} INCLUDEDIR=$RPM_BUILD_ROOT/%{_includedir} LIBDIR="$RPM_BUILD_ROOT/usr/lib" mkdir -p $SITE_PACKAGES/p4vasp cp -R lib/p4vasp $SITE_PACKAGES chmod -R 755 $SITE_PACKAGES/p4vasp chmod 644 $SITE_PACKAGES/p4vasp/* chmod -R 755 $SITE_PACKAGES/p4vasp/applet chmod -R 644 $SITE_PACKAGES/p4vasp/applet/* chmod -R 755 $SITE_PACKAGES/p4vasp/piddle install -m644 src/cp4vasp.py $SITE_PACKAGES install -m755 src/_cp4vasp.so $SITE_PACKAGES mkdir -p $P4VASP_HOME cp -R data $P4VASP_HOME cp -R utils $P4VASP_HOME chmod -R 755 $P4VASP_HOME/data chmod 644 $P4VASP_HOME/data/* chmod 755 $P4VASP_HOME/data/glade chmod 644 $P4VASP_HOME/data/glade/* chmod 755 $P4VASP_HOME/data/glade/pixmaps chmod 644 $P4VASP_HOME/data/glade/pixmaps/* chmod 755 $P4VASP_HOME/data/glade2 chmod 644 $P4VASP_HOME/data/glade2/* chmod 755 $P4VASP_HOME/data/glade2/pixmaps chmod 644 $P4VASP_HOME/data/glade2/pixmaps/* chmod 755 $P4VASP_HOME/data/graphs chmod 644 $P4VASP_HOME/data/graphs/* chmod 755 $P4VASP_HOME/data/images chmod 644 $P4VASP_HOME/data/images/* chmod 755 $P4VASP_HOME/data/database chmod 644 $P4VASP_HOME/data/database/* chmod -R 755 $P4VASP_HOME/utils install -m644 BUGS FAQS LICENSE $P4VASP_HOME install -m644 README Required.txt $P4VASP_HOME install -m755 uninstall.sh $P4VASP_HOME/uninstall.sh install -m755 diagnostic.py $P4VASP_HOME/diagnostic.py mkdir -p $BINDIR install -m755 p4v.py $BINDIR/p4v.py install -m755 p4v.py $BINDIR/p4v mkdir -p $P4VASP_HOME cp -R doc $P4VASP_HOME chmod -R 755 $P4VASP_HOME/doc chmod 644 $P4VASP_HOME/doc/* chmod -R 755 $P4VASP_HOME/doc/api chmod 644 $P4VASP_HOME/doc/api/* # chmod -R 755 $P4VASP_HOME/doc/api/c chmod -R 755 $P4VASP_HOME/doc/api/python chmod -R 755 $P4VASP_HOME/doc/intro chmod 644 $P4VASP_HOME/doc/intro/* mkdir -p $INCLUDEDIR/ODP mkdir -p $INCLUDEDIR/p4vasp cp -R odpdom/include/ODP $INCLUDEDIR cp -R src/include/p4vasp $INCLUDEDIR chmod 755 $INCLUDEDIR/ODP chmod 755 $INCLUDEDIR/p4vasp chmod 644 $INCLUDEDIR/ODP/* chmod 644 $INCLUDEDIR/p4vasp/* cp src/libp4vasp.a $LIBDIR cp odpdom/libODP.a $LIBDIR chmod 644 $LIBDIR/libp4vasp.a chmod 644 $LIBDIR/libODP.a %clean rm -rf $RPM_BUILD_ROOT %files %defattr(-,root,root) %doc README LICENSE FAQS BUGS Required.txt doc %{_bindir}/p4v.py %{_bindir}/p4v /usr/lib/p4vasp /usr/lib/libp4vasp.a /usr/lib/libODP.a %{_includedir}/p4vasp %{_includedir}/ODP %{python_sitelib}/p4vasp %{python_sitelib}/cp4vasp.py %{python_sitelib}/_cp4vasp.so %changelog * Sat Feb 13 2010 Orest Dubay <dubay@danubiananotech.com> - fltk updated * Fri Oct 26 2007 Orest Dubay <p4vasp@danubiananotech.com> - Repackaging, minor corrections (reduced updating in graph applets), preparation for v0.4 * Sun Jul 8 2007 Orest Dubay <odu@atomistix.com> - Database support continued - restricted saving, LDOS, Info applet * Sat Mar 10 2007 Orest Dubay <odu@atomistix.com> - Database support is improving (total DOS, INCAR, KPOINTS-file) * Sat Mar 10 2007 Orest Dubay <odu@atomistix.com> - Database support is improving... * Tue Oct 8 2006 Orest Dubay <odu@atomistix.com> - File selection for isosurface drawing * Tue Aug 1 2006 Orest Dubay <dubay@ap.univie.ac.at> - Quick commit * Sat Jul 15 2006 Orest Dubay <dubay@ap.univie.ac.at> - Drawing of isosurfaces as points, fix (?) of the pin and external button icon handling * Fri May 12 2006 Orest Dubay <orest.dubay@univie.ac.at> - horizontal lines bugfix, the PySwigObject issue, corelation->correlation * Mon Apr 24 2006 Orest Dubay <orest.dubay@univie.ac.at> - Some bugfixes, an experimental database support (MySQL) * Thu Mar 24 2006 Orest Dubay <orest.dubay@univie.ac.at> - Reload option, contrast/brightness in STM, STM button * Thu Mar 16 2006 Orest Dubay <orest.dubay@univie.ac.at> - LORBIT=12 fix was wrong => fix removed + automatic path to python in Makefiles * Thu Mar 9 2006 Orest Dubay <orest.dubay@univie.ac.at> - LORBIT=12 processing in ElectronicApplet * Wed Nov 9 2005 Orest Dubay <dubay@ap.univie.ac.at> - Dielectric function applet * Mon Oct 10 2005 Orest Dubay <dubay@ap.univie.ac.at> - Velocities in p4vasp.SystemPM.XMLSystemPM * Thu Jul 28 2005 Orest Dubay <dubay@ap.univie.ac.at> - Structure in STM, reading DOSCAR file (no spin info, no local DOS) * Fri Jun 10 2005 Orest Dubay <dubay@ap.univie.ac.at> - Resize bug of structure window fixed (size_range in VisFLWindow) * Mon May 2 2005 Orest Dubay <dubay@ap.univie.ac.at> - Downsampling in the structure viewer * Thu Mar 31 2005 Orest Dubay <dubay@ap.univie.ac.at> - dielectric function in XMLSystemPM * Tue Mar 15 2005 Orest Dubay <dubay@ap.univie.ac.at> - 'from __future__ import generators' fix in STM and VAC * Fri Mar 11 2005 Orest Dubay <dubay@ap.univie.ac.at> - Minor changes/improvements/bugfixes in VAC and DOS viewer * Mon Mar 7 2005 Orest Dubay <dubay@ap.univie.ac.at> - VAC applet from Tomas Bucko added, CSTRUCTURE_SEQUENCE_L, vertical lines in graph * Fri Jan 28 2005 Orest Dubay <dubay@ap.univie.ac.at> - STM applet improved * Fri Jan 14 2005 Orest Dubay <dubay@ap.univie.ac.at> - STM applet added * Mon Jan 10 2005 Orest Dubay <dubay@ap.univie.ac.at> - Structure update by text->table view in Builder * Fri Oct 29 2004 Orest Dubay <dubay@ap.univie.ac.at> - Minor bugfixes and RotationApplet * Fri Oct 22 2004 Orest Dubay <dubay@ap.univie.ac.at> - Minor bugfixes and feature enhancements, mainly in Electronic applet * Tue Oct 19 2004 Orest Dubay <dubay@ap.univie.ac.at> - Minor bugfixes and feature enhancements * Thu Oct 14 2004 Orest Dubay <dubay@ap.univie.ac.at> - Major bugfixes and feature enhancements * Thu Aug 10 2004 Orest Dubay <dubay@ap.univie.ac.at> - Builder fixes * Thu Jul 29 2004 Orest Dubay <dubay@ap.univie.ac.at> - p4vasp strongly reorganized, atom selection improved, included the builder applet * Fri May 7 2004 Orest Dubay <dubay@ap.univie.ac.at> - Several bugfixes * Wed Apr 28 2004 Orest Dubay <dubay@ap.univie.ac.at> - Isosurfaces visualisation, progress bars * Tue Apr 6 2004 Orest Dubay <dubay@ap.univie.ac.at> - p4vasp.store improved * Wed Mar 31 2004 Orest Dubay <dubay@ap.univie.ac.at> - minor bugfix in Local Bands applet * Wed Mar 26 2004 Orest Dubay <dubay@ap.univie.ac.at> - p4vasp reorganized and RPM built
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