Script 'mail_helper' called by obssrc Hello community, here is the log from the commit of package votca-csg for openSUSE:Factory checked in at 2021-09-20 23:33:37 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/votca-csg (Old) and /work/SRC/openSUSE:Factory/.votca-csg.new.1899 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-csg" Mon Sep 20 23:33:37 2021 rev:25 rq:920309 version:2021.2 Changes: -------- --- /work/SRC/openSUSE:Factory/votca-csg/votca-csg.changes 2021-07-22 22:44:30.291110310 +0200 +++ /work/SRC/openSUSE:Factory/.votca-csg.new.1899/votca-csg.changes 2021-09-20 23:36:23.487413613 +0200 @@ -1,0 +2,7 @@ +Mon Sep 20 09:45:09 UTC 2021 - Christoph Junghans <[email protected]> + +- Update to 2021.2 + - made masses in test more accurate ([gh#votca/csgp#705]) + - format code with clang-12.0.1 ([gh#votca/csgp#707]) + +------------------------------------------------------------------- Old: ---- votca-csg-2021.1.tar.gz votca-csg-tutorials-2021.1.tar.gz New: ---- votca-csg-2021.2.tar.gz votca-csg-tutorials-2021.2.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ votca-csg.spec ++++++ --- /var/tmp/diff_new_pack.KtUg5n/_old 2021-09-20 23:36:24.055414314 +0200 +++ /var/tmp/diff_new_pack.KtUg5n/_new 2021-09-20 23:36:24.055414314 +0200 @@ -18,7 +18,7 @@ Name: votca-csg -Version: 2021.1 +Version: 2021.2 Release: 0 %define uversion %version %define sover 2021 ++++++ votca-csg-2021.1.tar.gz -> votca-csg-2021.2.tar.gz ++++++ diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-2021.1/CHANGELOG.rst new/csg-2021.2/CHANGELOG.rst --- old/csg-2021.1/CHANGELOG.rst 2021-07-18 02:25:37.000000000 +0200 +++ new/csg-2021.2/CHANGELOG.rst 2021-09-19 04:34:24.000000000 +0200 @@ -1,6 +1,12 @@ For more detailed information about the changes see the history of the `repository <https://github.com/votca/csg/commits/master>`__. +Version 2021.2 (released 19.09.21) +================================== + +- made masses in test more accurate (#705) +- format code with clang-12.0.1 (#707) + Version 2021.1 (released 18.07.21) ================================== diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-2021.1/CMakeLists.txt new/csg-2021.2/CMakeLists.txt --- old/csg-2021.1/CMakeLists.txt 2021-07-18 02:25:37.000000000 +0200 +++ new/csg-2021.2/CMakeLists.txt 2021-09-19 04:34:24.000000000 +0200 @@ -2,7 +2,7 @@ project(votca-csg 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/csg-2021.1/src/csgapps/orientcorr/orientcorr.cc new/csg-2021.2/src/csgapps/orientcorr/orientcorr.cc --- old/csg-2021.1/src/csgapps/orientcorr/orientcorr.cc 2021-07-18 02:25:37.000000000 +0200 +++ new/csg-2021.2/src/csgapps/orientcorr/orientcorr.cc 2021-09-19 04:34:24.000000000 +0200 @@ -115,12 +115,11 @@ "cutoff for the neighbor search")( "nbins", boost::program_options::value<votca::Index>(&_nbins)->default_value(40), - "number of bins for the grid")("nbmethod", - boost::program_options::value<string>( - &_nbmethod) - ->default_value("grid"), - "neighbor search algorithm (simple or " - "grid)"); + "number of bins for the grid")( + "nbmethod", + boost::program_options::value<string>(&_nbmethod)->default_value("grid"), + "neighbor search algorithm (simple or " + "grid)"); } NBList *OrientCorrApp::CreateNBSearch() { diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-2021.1/src/libcsg/modules/io/lammpsdatareader.cc new/csg-2021.2/src/libcsg/modules/io/lammpsdatareader.cc --- old/csg-2021.1/src/libcsg/modules/io/lammpsdatareader.cc 2021-07-18 02:25:37.000000000 +0200 +++ new/csg-2021.2/src/libcsg/modules/io/lammpsdatareader.cc 2021-09-19 04:34:24.000000000 +0200 @@ -252,8 +252,8 @@ void LAMMPSDataReader::InitializeAtomAndBeadTypes_() { if (!data_.count("Masses")) { - string err = "Masses must first be parsed before the atoms can be read."; - throw runtime_error(err); + throw runtime_error( + "Masses must first be parsed before the atoms can be read."); } Index index = 0; @@ -474,10 +474,9 @@ } if (atomtypes_.count(atomTypeId) == 0) { - string err = + throw runtime_error( "Unrecognized atomTypeId, the atomtypes map " - "may be uninitialized"; - throw runtime_error(err); + "may be uninitialized"); } string bead_type_name = atomtypes_[atomTypeId]; diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-2021.1/src/libcsg/modules/io/lammpsdatareader.h new/csg-2021.2/src/libcsg/modules/io/lammpsdatareader.h --- old/csg-2021.1/src/libcsg/modules/io/lammpsdatareader.h 2021-07-18 02:25:37.000000000 +0200 +++ new/csg-2021.2/src/libcsg/modules/io/lammpsdatareader.h 2021-09-19 04:34:24.000000000 +0200 @@ -139,7 +139,7 @@ * a mass cannot be associated with an element we will assume it is pseudo * atom or course grained watom which we will represent as a bead. So * when creating the atom names we will take this into account. So say we have - *the following masses in the lammps .data file: + * the following masses in the lammps .data file: * * Masses * diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-2021.1/src/tests/DataFiles/lammpsdatareader/test_polymer.data new/csg-2021.2/src/tests/DataFiles/lammpsdatareader/test_polymer.data --- old/csg-2021.1/src/tests/DataFiles/lammpsdatareader/test_polymer.data 2021-07-18 02:25:37.000000000 +0200 +++ new/csg-2021.2/src/tests/DataFiles/lammpsdatareader/test_polymer.data 2021-09-19 04:34:24.000000000 +0200 @@ -15,7 +15,7 @@ Masses -1 14.02 +1 14.01 Pair Coeffs # lj/cut diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-2021.1/src/tests/DataFiles/lammpsdatareader/test_polymer3.data new/csg-2021.2/src/tests/DataFiles/lammpsdatareader/test_polymer3.data --- old/csg-2021.1/src/tests/DataFiles/lammpsdatareader/test_polymer3.data 2021-07-18 02:25:37.000000000 +0200 +++ new/csg-2021.2/src/tests/DataFiles/lammpsdatareader/test_polymer3.data 2021-09-19 04:34:24.000000000 +0200 @@ -15,7 +15,7 @@ Masses -1 14.02 +1 14.01 Pair Coeffs # lj/cut diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-2021.1/src/tests/DataFiles/lammpsdatareader/test_polymer4.data new/csg-2021.2/src/tests/DataFiles/lammpsdatareader/test_polymer4.data --- old/csg-2021.1/src/tests/DataFiles/lammpsdatareader/test_polymer4.data 2021-07-18 02:25:37.000000000 +0200 +++ new/csg-2021.2/src/tests/DataFiles/lammpsdatareader/test_polymer4.data 2021-09-19 04:34:24.000000000 +0200 @@ -15,7 +15,7 @@ Masses -1 14.02 +1 14.01 Pair Coeffs # lj/cut diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-2021.1/src/tools/csg_map.cc new/csg-2021.2/src/tools/csg_map.cc --- old/csg-2021.1/src/tools/csg_map.cc 2021-07-18 02:25:37.000000000 +0200 +++ new/csg-2021.2/src/tools/csg_map.cc 2021-09-19 04:34:24.000000000 +0200 @@ -55,19 +55,19 @@ CsgApplication::Initialize(); AddProgramOptions()("out", boost::program_options::value<string>(), " output file for coarse-grained trajectory")( - "vel", - " Write mapped velocities (if available)")("force", - " Write mapped forces (if " - "available)")("hybrid", - " Create " - "hybrid " - "trajectory " - "containing " - "both " - "atomistic " - "and " - "coarse-" - "grained"); + "vel", " Write mapped velocities (if available)")( + "force", + " Write mapped forces (if " + "available)")("hybrid", + " Create " + "hybrid " + "trajectory " + "containing " + "both " + "atomistic " + "and " + "coarse-" + "grained"); } bool EvaluateOptions() override { diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-2021.1/src/tools/csg_stat.cc new/csg-2021.2/src/tools/csg_stat.cc --- old/csg-2021.1/src/tools/csg_stat.cc 2021-07-18 02:25:37.000000000 +0200 +++ new/csg-2021.2/src/tools/csg_stat.cc 2021-09-19 04:34:24.000000000 +0200 @@ -71,26 +71,20 @@ AddProgramOptions("Specific options")("options", boost::program_options::value<string>(), " options file for coarse graining")( - "do-imc", - " write out additional Inverse Monte Carlo data")("block-length", - boost::program_options:: - value<votca:: - Index>(), - " write blocks of " - "this length, the " - "averages are cleared " - "after every " - "write")("ext", - boost::program_options::value< - string>( - &_extension) - ->default_value( - "dist" - ".ne" - "w"), - "Extension " - "of the " - "output"); + "do-imc", " write out additional Inverse Monte Carlo data")( + "block-length", boost::program_options::value<votca::Index>(), + " write blocks of " + "this length, the " + "averages are cleared " + "after every " + "write")("ext", + boost::program_options::value<string>(&_extension) + ->default_value("dist" + ".ne" + "w"), + "Extension " + "of the " + "output"); } bool CsgStatApp::EvaluateOptions() { ++++++ votca-csg-tutorials-2021.1.tar.gz -> votca-csg-tutorials-2021.2.tar.gz ++++++ diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-2021.1/CMakeLists.txt new/csg-tutorials-2021.2/CMakeLists.txt --- old/csg-tutorials-2021.1/CMakeLists.txt 2021-07-18 02:25:38.000000000 +0200 +++ new/csg-tutorials-2021.2/CMakeLists.txt 2021-09-19 04:34:25.000000000 +0200 @@ -2,7 +2,7 @@ project(csg-tutorials LANGUAGES NONE) -set(PROJECT_VERSION "2021.1") +set(PROJECT_VERSION "2021.2") # Cmake modules/macros are in a subdirectory to keep this file cleaner set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/CMakeModules)
