Script 'mail_helper' called by obssrc Hello community, here is the log from the commit of package votca-tools for openSUSE:Factory checked in at 2021-09-20 23:33:36 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/votca-tools (Old) and /work/SRC/openSUSE:Factory/.votca-tools.new.1899 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-tools" Mon Sep 20 23:33:36 2021 rev:22 rq:920308 version:2021.2 Changes: -------- --- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes 2021-07-22 22:44:29.411111457 +0200 +++ /work/SRC/openSUSE:Factory/.votca-tools.new.1899/votca-tools.changes 2021-09-20 23:36:22.787412748 +0200 @@ -1,0 +2,8 @@ +Mon Sep 20 09:29:39 UTC 2021 - Christoph Junghans <jungh...@votca.org> + +- Update to 2021.2 + - changed tolerance for getting element names from mass + ([gh#votca/tools#378]) + - format code with clang-12.0.1 ([gh#votca/tools#380]) + +------------------------------------------------------------------- Old: ---- votca-tools-2021.1.tar.gz New: ---- votca-tools-2021.2.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ votca-tools.spec ++++++ --- /var/tmp/diff_new_pack.2lL0UM/_old 2021-09-20 23:36:23.167413217 +0200 +++ /var/tmp/diff_new_pack.2lL0UM/_new 2021-09-20 23:36:23.167413217 +0200 @@ -17,7 +17,7 @@ # Name: votca-tools -Version: 2021.1 +Version: 2021.2 Release: 0 %define uversion %version %define sover 2021 ++++++ votca-tools-2021.1.tar.gz -> votca-tools-2021.2.tar.gz ++++++ diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-2021.1/CHANGELOG.rst new/tools-2021.2/CHANGELOG.rst --- old/tools-2021.1/CHANGELOG.rst 2021-07-18 02:25:36.000000000 +0200 +++ new/tools-2021.2/CHANGELOG.rst 2021-09-19 04:34:23.000000000 +0200 @@ -1,6 +1,12 @@ For more detailed information about the changes see the history of the `repository <https://github.com/votca/tools/commits/stable>`__. +Version 2021.2 (released 19.09.21) +================================== + +- changed tolerance for getting element names from mass (#378) +- format code with clang-12.0.1 (#380) + Version 2021.1 (released 18.07.21) ================================== diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-2021.1/CMakeLists.txt new/tools-2021.2/CMakeLists.txt --- old/tools-2021.1/CMakeLists.txt 2021-07-18 02:25:36.000000000 +0200 +++ new/tools-2021.2/CMakeLists.txt 2021-09-19 04:34:23.000000000 +0200 @@ -2,7 +2,7 @@ project(votca-tools LANGUAGES CXX) -set(PROJECT_VERSION "2021.1") +set(PROJECT_VERSION "2021.2") string(REGEX REPLACE "[-.].*$" "" SOVERSION "${PROJECT_VERSION}") if (NOT ${SOVERSION} MATCHES "^[0-9]+$") message(FATAL_ERROR "Could not determine SOVERSION (${SOVERSION}) from ${PROJECT_VERSION}") diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-2021.1/src/libtools/elements.cc new/tools-2021.2/src/libtools/elements.cc --- old/tools-2021.1/src/libtools/elements.cc 2021-07-18 02:25:36.000000000 +0200 +++ new/tools-2021.2/src/libtools/elements.cc 2021-09-19 04:34:23.000000000 +0200 @@ -169,7 +169,7 @@ bool Elements::isMassAssociatedWithElement(double mass, double tolerance) { auto closestMatch = findShortNameOfElementClosestInMass_(mass); - if (closestMatch.second / _Mass[closestMatch.first] > tolerance) { + if (closestMatch.second > tolerance) { return false; } return true; @@ -177,7 +177,7 @@ std::string Elements::getEleShortClosestInMass(double mass, double tolerance) { auto closestMatch = findShortNameOfElementClosestInMass_(mass); - if (closestMatch.second / _Mass[closestMatch.first] > tolerance) { + if (closestMatch.second > tolerance) { throw std::runtime_error( "In attempt to determine if mass is associated " " with an element the mass exceeds tolerance of a possible match"); diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-2021.1/src/tools/votca_property.cc new/tools-2021.2/src/tools/votca_property.cc --- old/tools-2021.1/src/tools/votca_property.cc 2021-07-18 02:25:36.000000000 +0200 +++ new/tools-2021.2/src/tools/votca_property.cc 2021-09-19 04:34:23.000000000 +0200 @@ -52,9 +52,8 @@ level = 1; AddProgramOptions()("file", po::value<string>(), "xml file to parse")( - "format", po::value<string>(), - "output format [XML TXT TEX]")("level", po::value<votca::Index>(), - "output from this level "); + "format", po::value<string>(), "output format [XML TXT TEX]")( + "level", po::value<votca::Index>(), "output from this level "); }; bool EvaluateOptions() override {
