Hello community, here is the log from the commit of package votca-csg for openSUSE:Factory checked in at 2019-11-30 10:37:04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/votca-csg (Old) and /work/SRC/openSUSE:Factory/.votca-csg.new.26869 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-csg" Sat Nov 30 10:37:04 2019 rev:15 rq:750179 version:1.5.1 Changes: -------- --- /work/SRC/openSUSE:Factory/votca-csg/votca-csg.changes 2019-10-04 11:22:41.556902728 +0200 +++ /work/SRC/openSUSE:Factory/.votca-csg.new.26869/votca-csg.changes 2019-11-30 10:38:05.116167116 +0100 @@ -1,0 +2,9 @@ +Thu Nov 21 14:56:55 UTC 2019 - Christoph Junghans <[email protected]> + +- Upgrade to 1.5.1 + * bug fixes for gcc-5 + * some bugfixes for the lammps reader + * support dynamics box size in h5md + * fix build on CentOs7 + +------------------------------------------------------------------- Old: ---- votca-csg-1.5.tar.gz votca-csg-manual-1.5.pdf votca-csg-tutorials-1.5.tar.gz New: ---- votca-csg-1.5.1.tar.gz votca-csg-manual-1.5.1.pdf votca-csg-tutorials-1.5.1.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ votca-csg.spec ++++++ --- /var/tmp/diff_new_pack.1g2Mmm/_old 2019-11-30 10:38:06.172166989 +0100 +++ /var/tmp/diff_new_pack.1g2Mmm/_new 2019-11-30 10:38:06.172166989 +0100 @@ -17,7 +17,7 @@ # Name: votca-csg -Version: 1.5 +Version: 1.5.1 %define uversion %{version} %define sover 5 Release: 0 ++++++ votca-csg-1.5.tar.gz -> votca-csg-1.5.1.tar.gz ++++++ ++++ 1982 lines of diff (skipped) ++++++ votca-csg-manual-1.5.pdf -> votca-csg-manual-1.5.1.pdf ++++++ (binary differes) ++++++ votca-csg-tutorials-1.5.tar.gz -> votca-csg-tutorials-1.5.1.tar.gz ++++++ diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.5/.gitlab-ci.yml new/csg-tutorials-1.5.1/.gitlab-ci.yml --- old/csg-tutorials-1.5/.gitlab-ci.yml 2019-01-31 15:48:16.000000000 +0100 +++ new/csg-tutorials-1.5.1/.gitlab-ci.yml 2019-11-21 03:37:01.000000000 +0100 @@ -11,6 +11,11 @@ DISTRO: "latest" image: votca/buildenv:${DISTRO} stage: build + artifacts: + paths: + - ${CI_PROJECT_DIR}/votca + when: always + dependencies: [] cache: paths: - ccache/ @@ -18,18 +23,20 @@ - ccache -z - j="$(grep -c processor /proc/cpuinfo 2>/dev/null)" || j=0; ((j++)) - git branch commit_of_build_${CI_BUILD_ID} ${CI_COMMIT_SHA} - - cd $HOME - - git clone --recursive https://github.com/votca/votca + - git clone https://github.com/votca/votca - pushd votca - - if [[ ( ${CI_COMMIT_REF_NAME} =~ ^for/([^/]*)/.* || ${CI_COMMIT_REF_NAME} =~ ^(stable)$ ) && ${BASH_REMATCH[1]} != master ]]; then - git checkout -b ${BASH_REMATCH[1]} origin/${BASH_REMATCH[1]} && git submodule update --recursive --init; + - if [[ ${CI_COMMIT_TAG} = v[12].[0-9]* ]]; then + git checkout -b ${CI_COMMIT_TAG} ${CI_COMMIT_TAG}; + elif [[ ( ${CI_COMMIT_REF_NAME} =~ ^for/([^/]*)/.* || ${CI_COMMIT_REF_NAME} =~ ^(stable)$ ) && ${BASH_REMATCH[1]} != master ]]; then + git checkout -b ${BASH_REMATCH[1]} origin/${BASH_REMATCH[1]}; fi + - git submodule update --recursive --init - git -C ${CI_PROJECT_NAME} fetch ${CI_PROJECT_DIR} commit_of_build_${CI_BUILD_ID} - git -C ${CI_PROJECT_DIR} branch -d commit_of_build_${CI_BUILD_ID} - git -C ${CI_PROJECT_NAME} checkout -f ${CI_COMMIT_SHA} - mkdir -p build - pushd build - - cmake .. -DENABLE_TESTING=ON -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DENABLE_REGRESSION_TESTING=ON + - cmake .. -DENABLE_TESTING=ON -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DENABLE_REGRESSION_TESTING=${REGRESSION_TESTING:-ON} -DMODULE_BUILD=${MODULE_BUILD} ${MODULE_BUILD:+-DCMAKE_INSTALL_PREFIX=/home/votca/votca.install} - make -O -k -j${j} -l${j} VERBOSE=1 - make test CTEST_OUTPUT_ON_FAILURE=1 @@ -222,7 +229,9 @@ CXX: "g++" CMAKE_BUILD_TYPE: "Release" DISTRO: "fedora_gmx9999" + REGRESSION_TESTING: "OFF" extends: .build + allow_failure: true Release Clang GMX9999: variables: @@ -230,7 +239,9 @@ CXX: "clang++" CMAKE_BUILD_TYPE: "Release" DISTRO: "fedora_gmx9999" + REGRESSION_TESTING: "OFF" extends: .build + allow_failure: true Release GCC GMX9999D: variables: @@ -238,7 +249,9 @@ CXX: "g++" CMAKE_BUILD_TYPE: "Release" DISTRO: "fedora_gmx9999_d" + REGRESSION_TESTING: "OFF" extends: .build + allow_failure: true Release Clang GMX9999D: variables: @@ -246,4 +259,6 @@ CXX: "clang++" CMAKE_BUILD_TYPE: "Release" DISTRO: "fedora_gmx9999_d" + REGRESSION_TESTING: "OFF" extends: .build + allow_failure: true diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.5/CMakeLists.txt new/csg-tutorials-1.5.1/CMakeLists.txt --- old/csg-tutorials-1.5/CMakeLists.txt 2019-01-31 15:48:16.000000000 +0100 +++ new/csg-tutorials-1.5.1/CMakeLists.txt 2019-11-21 03:37:01.000000000 +0100 @@ -2,7 +2,7 @@ project(csg-tutorials) -set(PROJECT_VERSION "1.5") +set(PROJECT_VERSION "1.5.1") # Cmake modules/macros are in a subdirectory to keep this file cleaner set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/CMakeModules) @@ -15,6 +15,7 @@ enable_testing() find_package(LMP) find_package(MDRUN_MPI) + find_package(MPI) foreach(prog csg_call csg_inverse) string(TOUPPER "${prog}" PROG) find_program(${PROG} ${prog}) @@ -34,12 +35,16 @@ set(VOTCA_CSG_DEFAULTS ${VOTCA_SHARE}/xml/csg_defaults.xml) endif() set(NPROCS 4 CACHE STRING "# processes for testing") + if(DEFINED MPIEXEC_MAX_NUMPROCS AND NPROCS GREATER MPIEXEC_MAX_NUMPROCS) + message(WARNING "NPROCS(${NPROCS}) bigger than MPIEXEC_MAX_NUMPROCS(${MPIEXEC_MAX_NUMPROCS}) appending '--oversubscribe'") + set(MPIEXEC_PREFLAGS "${MPIEXEC_PREFLAGS} --oversubscribe") + endif() file(GLOB_RECURSE FILES RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} settings.xml) foreach(DIR ${FILES}) if(DIR MATCHES "(espresso|dlpoly|hoomd|atomistic|single_chain)") continue() endif() - if(NOT MDRUN_MPI_FOUND AND DIR MATCHES "gromacs-(multi|remd)") + if(( NOT MDRUN_MPI_FOUND OR NOT MPIEXEC ) AND DIR MATCHES "gromacs-(multi|remd)") continue() endif() if(NOT LMP_FOUND AND DIR MATCHES "lammps") @@ -75,7 +80,9 @@ set(CSG_MDRUN_STEPS 2500) endif() if(DIR MATCHES "gromacs-(multi|remd)") - set_property(TEST ${TESTNAME} PROPERTY ENVIRONMENT "CSG_RUNTEST=yes;VOTCASHARE=${VOTCA_SHARE};CSG_MDRUN_STEPS=${CSG_MDRUN_STEPS};PATH=${VOTCA_PATH}:$ENV{PATH};VOTCA_CSG_DEFAULTS=${VOTCA_CSG_DEFAULTS}" "CSG_MDRUN_CMD=mpirun -np ${NPROCS} ${MDRUN_MPI_EXECUTABLE}") + set_property(TEST ${TESTNAME} PROPERTY ENVIRONMENT + "CSG_RUNTEST=yes;VOTCASHARE=${VOTCA_SHARE};CSG_MDRUN_STEPS=${CSG_MDRUN_STEPS};PATH=${VOTCA_PATH}:$ENV{PATH};VOTCA_CSG_DEFAULTS=${VOTCA_CSG_DEFAULTS}" + "CSG_MDRUN_CMD=${MPIEXEC} ${MPIEXEC_NUMPROC_FLAG} ${NPROCS} ${MPIEXEC_PREFLAGS} ${MDRUN_MPI_EXECUTABLE} ${MPIEXEC_POSTFLAGS}") else() set_property(TEST ${TESTNAME} PROPERTY ENVIRONMENT "CSG_RUNTEST=yes;VOTCASHARE=${VOTCA_SHARE};CSG_MDRUN_STEPS=${CSG_MDRUN_STEPS};PATH=${VOTCA_PATH}:$ENV{PATH};VOTCA_CSG_DEFAULTS=${VOTCA_CSG_DEFAULTS}") endif()
