Hello community, here is the log from the commit of package votca-tools for openSUSE:Factory checked in at 2020-06-23 21:05:25 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/votca-tools (Old) and /work/SRC/openSUSE:Factory/.votca-tools.new.2956 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-tools" Tue Jun 23 21:05:25 2020 rev:15 rq:816420 version:1.6.1 Changes: -------- --- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes 2020-06-15 20:27:38.929779496 +0200 +++ /work/SRC/openSUSE:Factory/.votca-tools.new.2956/votca-tools.changes 2020-06-23 21:05:49.906082066 +0200 @@ -1,0 +2,14 @@ +Mon Jun 22 12:11:56 UTC 2020 - Christoph Junghans <[email protected]> + +- Update to 1.6.1 + - fix build with mkl ([gh#votca/tools#229]) + - fix build with non-system libfftw ([gh#votca/tools#234]) + - fix CI on Ubuntu-20.04 ([gh#votca/tools#237]) + - fix bug related to calling c abs instead of c++ fabs + ([gh#votca/tools#248]) + - updated floating point comparison in akimaspline.h + ([gh#votca/tools#248]) + - fix compile error in structure parameters by adding hash + function ([gh#votca/tools#248]) + +------------------------------------------------------------------- Old: ---- votca-tools-1.6.tar.gz New: ---- votca-tools-1.6.1.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ votca-tools.spec ++++++ --- /var/tmp/diff_new_pack.xxgl6I/_old 2020-06-23 21:05:50.454083837 +0200 +++ /var/tmp/diff_new_pack.xxgl6I/_new 2020-06-23 21:05:50.458083850 +0200 @@ -18,7 +18,7 @@ Name: votca-tools -Version: 1.6 +Version: 1.6.1 Release: 0 %define uversion %{version} %define sover 6 @@ -102,7 +102,8 @@ %postun -n libvotca_tools%sover -p /sbin/ldconfig %files -n libvotca_tools%sover -%doc LICENSE NOTICE +%doc NOTICE README.md CHANGELOG.md +%license LICENSE %{_libdir}/libvotca_tools.so.%{sover} %files devel ++++++ votca-tools-1.6.tar.gz -> votca-tools-1.6.1.tar.gz ++++++ diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/.gitlab-ci.yml new/tools-1.6.1/.gitlab-ci.yml --- old/tools-1.6/.gitlab-ci.yml 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/.gitlab-ci.yml 2020-06-21 15:20:17.000000000 +0200 @@ -106,6 +106,7 @@ CXX: "g++" CMAKE_BUILD_TYPE: "Debug" DISTRO: "ubuntu" + REGRESSION_TESTING: "OFF" extends: .build Debug Clang Ubuntu: @@ -114,6 +115,7 @@ CXX: "clang++" CMAKE_BUILD_TYPE: "Debug" DISTRO: "ubuntu" + REGRESSION_TESTING: "OFF" extends: .build Release GCC Ubuntu: @@ -122,6 +124,7 @@ CXX: "g++" CMAKE_BUILD_TYPE: "Release" DISTRO: "ubuntu" + REGRESSION_TESTING: "OFF" extends: .build Release Clang Ubuntu: @@ -130,6 +133,7 @@ CXX: "clang++" CMAKE_BUILD_TYPE: "Release" DISTRO: "ubuntu" + REGRESSION_TESTING: "OFF" extends: .build Debug GCC Rawhide: diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/CHANGELOG.md new/tools-1.6.1/CHANGELOG.md --- old/tools-1.6/CHANGELOG.md 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/CHANGELOG.md 2020-06-21 15:20:17.000000000 +0200 @@ -1,5 +1,13 @@ For more detailed information about the changes see the history of the [repository](https://github.com/votca/tools/commits/stable). +## Version 1.6.1 (released 21.06.20) +* fix build with mkl (#229) +* fix build with non-system libfftw (#234) +* fix CI on Ubuntu-20.04 (#237) +* fix bug related to calling c abs instead of c++ fabs (#248) +* updated floating point comparison in akimaspline.h (#248) +* fix compile error in structure parameters by adding hash function (#248) + ## Version 1.6 _SuperPelagia_ (released 17.04.20) * fix clang-10 warnings (#217) * clean up VOTCARC.* (#220) diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/CMakeLists.txt new/tools-1.6.1/CMakeLists.txt --- old/tools-1.6/CMakeLists.txt 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/CMakeLists.txt 2020-06-21 15:20:17.000000000 +0200 @@ -2,7 +2,7 @@ project(votca-tools) -set(PROJECT_VERSION "1.6") +set(PROJECT_VERSION "1.6.1") 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 ${PROJECT_VERSION}") diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/CMakeModules/FindMKL.cmake new/tools-1.6.1/CMakeModules/FindMKL.cmake --- old/tools-1.6/CMakeModules/FindMKL.cmake 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/CMakeModules/FindMKL.cmake 2020-06-21 15:20:17.000000000 +0200 @@ -135,6 +135,10 @@ cmake_parse_arguments(mkl_args "${options}" "${single_args}" "${multi_args}" ${ARGN}) + if(TARGET MKL::${mkl_args_NAME}) + return() + endif() + add_library(MKL::${mkl_args_NAME} SHARED IMPORTED) add_library(MKL::${mkl_args_NAME}_STATIC SHARED IMPORTED) find_library(MKL_${mkl_args_NAME}_LINK_LIBRARY @@ -255,7 +259,7 @@ find_library(M_LIB m) mark_as_advanced(M_LIB) endif() -if(MKL_FOUND) +if(MKL_FOUND AND NOT TARGET MKL::MKL) add_library(MKL::MKL SHARED IMPORTED) if(MKL_THREAD_LAYER STREQUAL "Sequential") set_target_properties(MKL::MKL diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/include/votca/tools/akimaspline.h new/tools-1.6.1/include/votca/tools/akimaspline.h --- old/tools-1.6/include/votca/tools/akimaspline.h 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/include/votca/tools/akimaspline.h 2020-06-21 15:20:17.000000000 +0200 @@ -18,6 +18,7 @@ #ifndef __VOTCA_TOOLS_AKIMASPLINE_H #define __VOTCA_TOOLS_AKIMASPLINE_H +#include "floatingpointcomparison.h" #include "spline.h" #include <iostream> #include <votca/tools/eigen.h> @@ -95,11 +96,12 @@ inline double AkimaSpline::getSlope(double m1, double m2, double m3, double m4) { - if ((m1 == m2) && (m3 == m4)) { + if (isApproximatelyEqual(m1, m2, 1E-15) && + isApproximatelyEqual(m3, m4, 1E-15)) { return (m2 + m3) / 2.0; } else { - return (std::abs(m4 - m3) * m2 + std::abs(m2 - m1) * m3) / - (std::abs(m4 - m3) + std::abs(m2 - m1)); + return (std::fabs(m4 - m3) * m2 + std::fabs(m2 - m1) * m3) / + (std::fabs(m4 - m3) + std::fabs(m2 - m1)); } } diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/include/votca/tools/eigen.h new/tools-1.6.1/include/votca/tools/eigen.h --- old/tools-1.6/include/votca/tools/eigen.h 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/include/votca/tools/eigen.h 2020-06-21 15:20:17.000000000 +0200 @@ -49,7 +49,6 @@ #endif #include <Eigen/Eigen> #include <unsupported/Eigen/CXX11/Tensor> -#include <unsupported/Eigen/FFT> #if (defined STRICT_GNUC) && GCC_VERSION > 70000 #pragma GCC diagnostic pop #endif diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/include/votca/tools/floatingpointcomparison.h new/tools-1.6.1/include/votca/tools/floatingpointcomparison.h --- old/tools-1.6/include/votca/tools/floatingpointcomparison.h 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/include/votca/tools/floatingpointcomparison.h 2020-06-21 15:20:17.000000000 +0200 @@ -33,6 +33,10 @@ * https://stackoverflow.com/questions/17333/what-is-the-most-effective-way-for-float-and-double-comparison * user ShitalShal */ + +// Standard includes +#include <cstdlib> + namespace votca { namespace tools { diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/include/votca/tools/structureparameters.h new/tools-1.6.1/include/votca/tools/structureparameters.h --- old/tools-1.6/include/votca/tools/structureparameters.h 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/include/votca/tools/structureparameters.h 2020-06-21 15:20:17.000000000 +0200 @@ -105,7 +105,7 @@ T get(const StructureParameter parameter) const; private: - std::unordered_map<StructureParameter, boost::any> parameters; + std::unordered_map<StructureParameter, boost::any, std::hash<int>> parameters; }; void StructureParameters::set(const StructureParameter parameter, diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/scripts/CMakeLists.txt new/tools-1.6.1/scripts/CMakeLists.txt --- old/tools-1.6/scripts/CMakeLists.txt 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/scripts/CMakeLists.txt 2020-06-21 15:20:17.000000000 +0200 @@ -30,9 +30,9 @@ -DINPUT="${SCRIPT}.out" -DOUTPUT="${SCRIPT}" -DGIT_EXECUTABLE="${GIT_EXECUTABLE}" -DTOP_SOURCE_DIR="${CMAKE_SOURCE_DIR}" -P ${CMAKE_MODULE_PATH}/gitscript.cmake) - if(ENABLE_TESTING) + if(ENABLE_TESTING OR ENABLE_REGRESSION_TESTING) add_custom_command(TARGET ${SCRIPT}_build POST_BUILD COMMAND chmod +x ${SCRIPT}) - endif(ENABLE_TESTING) + endif(ENABLE_TESTING OR ENABLE_REGRESSION_TESTING) set_property(DIRECTORY APPEND PROPERTY ADDITIONAL_MAKE_CLEAN_FILES ${SCRIPT}) install(PROGRAMS ${CMAKE_CURRENT_BINARY_DIR}/${SCRIPT} DESTINATION ${CMAKE_INSTALL_BINDIR}) endforeach(SCRIPT) diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/src/libtools/VOTCA_TOOLSConfig.cmake.in new/tools-1.6.1/src/libtools/VOTCA_TOOLSConfig.cmake.in --- old/tools-1.6/src/libtools/VOTCA_TOOLSConfig.cmake.in 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/src/libtools/VOTCA_TOOLSConfig.cmake.in 2020-06-21 15:20:17.000000000 +0200 @@ -7,6 +7,8 @@ set_property(TARGET VOTCA::votca_compare PROPERTY IMPORTED_LOCATION "@CMAKE_INSTALL_FULL_BINDIR@/votca_compare") endif() if(@MKL_FOUND@) - set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_LIST_DIR}) + list(APPEND CMAKE_MODULE_PATH ${CMAKE_CURRENT_LIST_DIR}) + set(MKL_THREAD_LAYER "@MKL_THREAD_LAYER@" CACHE STRING "The thread layer to choose for MKL") find_dependency(MKL REQUIRED) + list(REMOVE_ITEM CMAKE_MODULE_PATH ${CMAKE_CURRENT_LIST_DIR}) endif() diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/src/libtools/crosscorrelate.cc new/tools-1.6.1/src/libtools/crosscorrelate.cc --- old/tools-1.6/src/libtools/crosscorrelate.cc 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/src/libtools/crosscorrelate.cc 2020-06-21 15:20:17.000000000 +0200 @@ -16,6 +16,10 @@ */ #include <votca/tools/crosscorrelate.h> +#include <votca/tools/eigen.h> + +// include after eigen.h +#include <unsupported/Eigen/FFT> namespace votca { namespace tools { diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/src/libtools/elements.cc new/tools-1.6.1/src/libtools/elements.cc --- old/tools-1.6/src/libtools/elements.cc 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/src/libtools/elements.cc 2020-06-21 15:20:17.000000000 +0200 @@ -193,11 +193,11 @@ _filled_Mass = true; } std::string eleShort = "H"; - double diff = std::abs(mass - _Mass[eleShort]); + double diff = std::fabs(mass - _Mass[eleShort]); for (const auto& ele_pr : _Mass) { - if (abs(ele_pr.second - mass) < diff) { + if (std::fabs(ele_pr.second - mass) < diff) { eleShort = ele_pr.first; - diff = abs(ele_pr.second - mass); + diff = std::fabs(ele_pr.second - mass); } } return std::pair<std::string, double>(eleShort, diff); diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/src/libtools/histogram.cc new/tools-1.6.1/src/libtools/histogram.cc --- old/tools-1.6/src/libtools/histogram.cc 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/src/libtools/histogram.cc 2020-06-21 15:20:17.000000000 +0200 @@ -76,7 +76,7 @@ if (_options._scale == "bond") { for (size_t i = 0; i < _pdf.size(); ++i) { double r = _min + _interval * (double)i; - if (abs(r) < 1e-10) { + if (std::fabs(r) < 1e-10) { r = _min + _interval * (double)(i + 1); _pdf[i] = _pdf[i + 1]; } @@ -86,7 +86,7 @@ for (size_t i = 0; i < _pdf.size(); ++i) { double alpha = _min + _interval * (double)i; double sa = sin(alpha); - if (abs(sa) < 1e-5) { + if (std::fabs(sa) < 1e-5) { if (i < _pdf.size() - 1) { alpha = _min + _interval * (double)(i + 1); _pdf[i] = _pdf[i + 1] / sin(alpha); diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6/src/tests/test_structureparameters.cc new/tools-1.6.1/src/tests/test_structureparameters.cc --- old/tools-1.6/src/tests/test_structureparameters.cc 2020-04-18 05:01:24.000000000 +0200 +++ new/tools-1.6.1/src/tests/test_structureparameters.cc 2020-06-21 15:20:17.000000000 +0200 @@ -22,7 +22,6 @@ #include <boost/test/unit_test.hpp> #include <iostream> #include <string> -#include <unordered_map> #include <vector> #include <votca/tools/types.h> using namespace std;
