Hello community, here is the log from the commit of package votca-tools for openSUSE:Factory checked in at 2016-08-25 09:56:02 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/votca-tools (Old) and /work/SRC/openSUSE:Factory/.votca-tools.new (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-tools" Changes: -------- --- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes 2016-01-22 01:09:31.000000000 +0100 +++ /work/SRC/openSUSE:Factory/.votca-tools.new/votca-tools.changes 2016-08-25 09:56:04.000000000 +0200 @@ -1,0 +2,7 @@ +Fri Aug 19 21:28:36 UTC 2016 - jungh...@votca.org + +- Upgrade to 1.3 + * fix bug in histogram class + * details: https://github.com/votca/csg/blob/master/CHANGELOG.md + +------------------------------------------------------------------- Old: ---- votca-tools-1.3.tar.gz New: ---- votca-tools-1.3.1.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ votca-tools.spec ++++++ --- /var/tmp/diff_new_pack.PhZdJK/_old 2016-08-25 09:56:05.000000000 +0200 +++ /var/tmp/diff_new_pack.PhZdJK/_new 2016-08-25 09:56:05.000000000 +0200 @@ -10,7 +10,7 @@ # Name: votca-tools -Version: 1.3 +Version: 1.3.1 Release: 0 Summary: VOTCA tools library Group: Productivity/Scientific/Chemistry ++++++ votca-tools-1.3.tar.gz -> votca-tools-1.3.1.tar.gz ++++++ diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.3/CMakeLists.txt new/tools-1.3.1/CMakeLists.txt --- old/tools-1.3/CMakeLists.txt 2016-01-15 22:48:59.000000000 +0100 +++ new/tools-1.3.1/CMakeLists.txt 2016-08-19 22:03:11.000000000 +0200 @@ -2,7 +2,7 @@ project(votca-tools) -set(PROJECT_VERSION "1.3") +set(PROJECT_VERSION "1.3.1") string(REGEX REPLACE "^[1-9]+\\.([1-9]+).*$" "\\1" SOVERSION "${PROJECT_VERSION}") if (NOT ${SOVERSION} MATCHES "[1-9]+") message(FATAL_ERROR "Could not determind SOVERSION from ${PROJECT_VERSION}") diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.3/include/votca/tools/calculator.h new/tools-1.3.1/include/votca/tools/calculator.h --- old/tools-1.3/include/votca/tools/calculator.h 2016-01-15 22:48:59.000000000 +0100 +++ new/tools-1.3.1/include/votca/tools/calculator.h 2016-08-19 22:03:11.000000000 +0200 @@ -1,5 +1,5 @@ /* - * Copyright 2009-2012 The VOTCA Development Team + * Copyright 2009-2016 The VOTCA Development Team * (http://www.votca.org) * * Licensed under the Apache License, Version 2.0 (the "License") @@ -18,14 +18,14 @@ */ -#ifndef VOTCA_CTP_CALCULATOR_H -#define VOTCA_CTP_CALCULATOR_H +#ifndef VOTCA_TOOLS_CALCULATOR_H +#define VOTCA_TOOLS_CALCULATOR_H #include <votca/tools/property.h> #include <votca/tools/propertyiomanipulator.h> #include <votca/tools/globals.h> -namespace votca { namespace ctp { +namespace votca { namespace tools { /** * \brief Base class for all calculators @@ -115,7 +115,7 @@ if(votca_share == NULL) throw std::runtime_error("VOTCASHARE not set, cannot open help files."); // load the xml description of the calculator (with defaults and test values) std::string xmlFile = std::string(getenv("VOTCASHARE")) - + std::string("/ctp/xml/") + id + std::string(".xml"); + + std::string("/tools/xml/") + id + std::string(".xml"); votca::tools::Property defaults, _defaults; votca::tools::load_property_from_xml(_defaults, xmlFile); @@ -158,4 +158,4 @@ }} -#endif /* VOTCA_CTP_CALCULATOR_H */ +#endif /* VOTCA_TOOLS_CALCULATOR_H */ diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.3/scripts/VOTCARC.bash.in new/tools-1.3.1/scripts/VOTCARC.bash.in --- old/tools-1.3/scripts/VOTCARC.bash.in 2016-01-15 22:48:59.000000000 +0100 +++ new/tools-1.3.1/scripts/VOTCARC.bash.in 2016-08-19 22:03:11.000000000 +0200 @@ -1,4 +1,5 @@ -# +#!/usr/bin/env bash +# # Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org) # # Licensed under the Apache License, Version 2.0 (the "License"); @@ -31,7 +32,7 @@ done unset rc -#bash cmopletion +#bash completion if [ -n "$BASH_VERSION" ]; then for comp in "@CMAKE_INSTALL_PREFIX@/@DATA@"/rc/*completion.bash; do [ -r "$comp" ] && source "$comp" diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.3/scripts/VOTCARC.csh.in new/tools-1.3.1/scripts/VOTCARC.csh.in --- old/tools-1.3/scripts/VOTCARC.csh.in 2016-01-15 22:48:59.000000000 +0100 +++ new/tools-1.3.1/scripts/VOTCARC.csh.in 2016-08-19 22:03:11.000000000 +0200 @@ -1,4 +1,5 @@ -# +#!/usr/bin/env csh +# # Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org) # # Licensed under the Apache License, Version 2.0 (the "License"); diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.3/src/libtools/histogram.cc new/tools-1.3.1/src/libtools/histogram.cc --- old/tools-1.3/src/libtools/histogram.cc 2016-01-15 22:48:59.000000000 +0100 +++ new/tools-1.3.1/src/libtools/histogram.cc 2016-08-19 22:03:11.000000000 +0200 @@ -73,7 +73,7 @@ double v = 1.; for(array = data->begin(); array!=data->end(); ++array) { for(iter=(*array)->begin(); iter!=(*array)->end(); ++iter) { - ii = (int)( (*iter - _min) / _interval + 0.5); // the interval should be centered around the sampling point + ii = (int)floor( (*iter - _min) / _interval + 0.5); // the interval should be centered around the sampling point if(ii< 0 || ii >= _options._n) { if(_options._periodic) { while(ii<0) ii+=_options._n; diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.3/src/libtools/histogramnew.cc new/tools-1.3.1/src/libtools/histogramnew.cc --- old/tools-1.3/src/libtools/histogramnew.cc 2016-01-15 22:48:59.000000000 +0100 +++ new/tools-1.3.1/src/libtools/histogramnew.cc 2016-08-19 22:03:11.000000000 +0200 @@ -49,7 +49,7 @@ void HistogramNew::Process(const double &v, double scale) { - int i = (int) ((v - _min) / _step + 0.5); + int i = (int)floor((v - _min) / _step + 0.5); if (i < 0 || i >= _nbins) { if(!_periodic) return;
