Hello community, here is the log from the commit of package votca-csg for openSUSE:Factory checked in at 2020-08-25 09:36:20 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/votca-csg (Old) and /work/SRC/openSUSE:Factory/.votca-csg.new.3399 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-csg" Tue Aug 25 09:36:20 2020 rev:20 rq:828956 version:1.6.2 Changes: -------- --- /work/SRC/openSUSE:Factory/votca-csg/votca-csg.changes 2020-08-21 19:05:34.320405925 +0200 +++ /work/SRC/openSUSE:Factory/.votca-csg.new.3399/votca-csg.changes 2020-08-25 09:37:30.160166875 +0200 @@ -1,0 +2,12 @@ +Sat Aug 22 18:28:13 UTC 2020 - Christoph Junghans <[email protected]> + +- Update to 1.6.2 + - move CI to GitHub Actions ([gh#votca/csg#563], + [gh#votca/csg#567], [gh#votca/csg#569]) + - add max scaling parameter to pressure correction + ([gh#votca/csg#565]) + - fix test dependencies for parallel ctest ([gh#votca/csg#573]) + - fix multicomponent imc ([gh#votca/csg#579], + [gh#votca/csg#581]) + +------------------------------------------------------------------- Old: ---- votca-csg-1.6.1.tar.gz votca-csg-manual-1.6.1.pdf votca-csg-tutorials-1.6.1.tar.gz New: ---- votca-csg-1.6.2.tar.gz votca-csg-manual-1.6.2.pdf votca-csg-tutorials-1.6.2.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ votca-csg.spec ++++++ --- /var/tmp/diff_new_pack.mBTbTT/_old 2020-08-25 09:37:33.648168910 +0200 +++ /var/tmp/diff_new_pack.mBTbTT/_new 2020-08-25 09:37:33.652168913 +0200 @@ -18,7 +18,7 @@ Name: votca-csg -Version: 1.6.1 +Version: 1.6.2 Release: 0 %define uversion %{version} %define sover 6 ++++++ votca-csg-1.6.1.tar.gz -> votca-csg-1.6.2.tar.gz ++++++ ++++ 2548 lines of diff (skipped) ++++++ votca-csg-manual-1.6.1.pdf -> votca-csg-manual-1.6.2.pdf ++++++ (binary differes) ++++++ votca-csg-tutorials-1.6.1.tar.gz -> votca-csg-tutorials-1.6.2.tar.gz ++++++ diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.6.1/.github/workflows/continuous-integration-workflow.yml new/csg-tutorials-1.6.2/.github/workflows/continuous-integration-workflow.yml --- old/csg-tutorials-1.6.1/.github/workflows/continuous-integration-workflow.yml 1970-01-01 01:00:00.000000000 +0100 +++ new/csg-tutorials-1.6.2/.github/workflows/continuous-integration-workflow.yml 2020-08-22 15:31:16.000000000 +0200 @@ -0,0 +1,80 @@ +name: CI +on: + pull_request: + branches: + - master + - stable + +jobs: + CI: + continue-on-error: ${{ matrix.distro == 'ubuntu_devel' || matrix.distro == 'fedora_rawhide' || matrix.continue-on-error == true }} + strategy: + matrix: + distro: [latest, fedora_rawhide, opensuse, ubuntu_18.04] + toolchain: [gnu] + cmake_build_type: [Release] + minimal: [false] + own_gmx: [false] + module_build: [false] + coverage: [false] + include: + - distro: fedora_nogmx + toolchain: gnu + cmake_build_type: Release + own_gmx: true + - distro: latest + toolchain: gnu + cmake_build_type: Release + module_build: true + - distro: fedora_gmx2019 + toolchain: gnu + cmake_build_type: Release + - distro: fedora_gmx2019_d + toolchain: gnu + cmake_build_type: Release + runs-on: ubuntu-latest + container: votca/buildenv:${{ matrix.distro }} + steps: + - uses: actions/[email protected] + with: + fetch-depth: 0 + - name: Run Votca Setup + id: setup + uses: votca/actions/setup@master + with: + distro: ${{ matrix.distro }} + toolchain: ${{ matrix.toolchain }} + minimal: ${{ matrix.minimal == true }} + module: ${{ matrix.module_build == true }} + own_gmx: ${{ matrix.own_gmx == true }} + regression_testing: ${{ matrix.no_regression_testing != true }} + coverage: ${{ matrix.coverage }} + cmake_build_type: ${{ matrix.cmake_build_type }} + ctest_args: ${{ matrix.ctest_args }} + cmake_args: ${{ matrix.cmake_args }} + - uses: actions/cache@v2 + with: + path: ~/.ccache + key: ${{ steps.setup.outputs.cache_key }} + restore-keys: ${{ steps.setup.outputs.cache_restore_key }} + - name: CMake + run: mkdir builddir && cd builddir && cmake ${{ steps.setup.outputs.cmake_args }} ../votca + - name: Build + run: | + ccache -z + cmake --build builddir -- -j ${{ steps.setup.outputs.jobs }} + ccache -s + - name: Tests + run: ctest --output-on-failure ${{ steps.setup.outputs.ctest_args }} + working-directory: builddir + - name: Build Sphinx + if: ${{ steps.setup.outputs.build_sphinx == 'true' }} + run: cmake --build builddir --target doc + - name: Test DESTDIR Install + if: ${{ ! matrix.module_build }} + run: DESTDIR=${PWD}/install cmake --build builddir --target install && rm -rf ${PWD}/install/usr && rmdir ${PWD}/install + - name: Install + run: sudo cmake --build builddir --target install + - name: Check for untracked files + run: git status --porcelain && git status --porcelain | sed Q1 + working-directory: votca/${{ steps.setup.outputs.module }} diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.6.1/.github/workflows/create-pr.yml new/csg-tutorials-1.6.2/.github/workflows/create-pr.yml --- old/csg-tutorials-1.6.1/.github/workflows/create-pr.yml 1970-01-01 01:00:00.000000000 +0100 +++ new/csg-tutorials-1.6.2/.github/workflows/create-pr.yml 2020-08-22 15:31:16.000000000 +0200 @@ -0,0 +1,37 @@ +name: Create PR +on: + push: + branches: + - stable + +jobs: + PR: + name: Create + if: github.repository_owner == 'votca' + runs-on: ubuntu-latest + steps: + - name: Checkout code + uses: actions/checkout@master + with: + ref: ${{ github.event.ref }} + fetch-depth: 0 + token: ${{ secrets.VOTCA_BOT_TOKEN }} + - name: Try to merge master branch + run: | + git config --global user.name "Votca Bot" + git config --global user.email "[email protected]" + git checkout -b stable_fixes + git merge origin/master || true + git push origin stable_fixes + - name: Create Pull Request + uses: actions/[email protected] + with: + github-token: ${{ secrets.VOTCA_BOT_TOKEN }} + script: | + github.pulls.create({ + owner: 'votca', + repo: 'csg-tutorials', + title: 'Fixes from stable', + head: 'stable_fixes', + base: 'master' + }) diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.6.1/.github/workflows/create-release.yml new/csg-tutorials-1.6.2/.github/workflows/create-release.yml --- old/csg-tutorials-1.6.1/.github/workflows/create-release.yml 1970-01-01 01:00:00.000000000 +0100 +++ new/csg-tutorials-1.6.2/.github/workflows/create-release.yml 2020-08-22 15:31:16.000000000 +0200 @@ -0,0 +1,20 @@ +name: Make Release +on: + push: + tags: + - 'v[1-9]*' + +jobs: + release: + name: Make Release + if: github.repository_owner == 'votca' + runs-on: ubuntu-latest + steps: + - name: Create Release + uses: actions/create-release@v1 + env: + GITHUB_TOKEN: ${{ secrets.VOTCA_BOT_TOKEN }} + with: + tag_name: ${{ github.ref }} + release_name: ${{ github.ref }} + prerelease: ${{ contains(github.ref, 'rc') }} diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.6.1/.github/workflows/forward-to-votca.yml new/csg-tutorials-1.6.2/.github/workflows/forward-to-votca.yml --- old/csg-tutorials-1.6.1/.github/workflows/forward-to-votca.yml 1970-01-01 01:00:00.000000000 +0100 +++ new/csg-tutorials-1.6.2/.github/workflows/forward-to-votca.yml 2020-08-22 15:31:16.000000000 +0200 @@ -0,0 +1,18 @@ +name: Forward +on: + push: + branches: + - master + - stable + +jobs: + VOTCA: + if: github.repository_owner == 'votca' + runs-on: ubuntu-latest + steps: + - name: Update submodule + uses: votca/actions/forward@master + with: + module: ${{ github.repository }} + token: ${{ secrets.VOTCA_BOT_TOKEN }} + diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.6.1/.gitlab-ci.yml new/csg-tutorials-1.6.2/.gitlab-ci.yml --- old/csg-tutorials-1.6.1/.gitlab-ci.yml 2020-06-21 15:20:22.000000000 +0200 +++ new/csg-tutorials-1.6.2/.gitlab-ci.yml 1970-01-01 01:00:00.000000000 +0100 @@ -1,141 +0,0 @@ -stages: - - canary - - build - -.build: - retry: - max: 2 - variables: - CCACHE_DIR: "${CI_PROJECT_DIR}/ccache" - DISTRO: "latest" - image: votca/buildenv:${DISTRO} - stage: build - artifacts: - paths: - - ${CI_PROJECT_DIR}/votca - when: always - dependencies: [] - cache: - paths: - - ccache/ - script: - - ccache -z - - j="$(grep -c processor /proc/cpuinfo 2>/dev/null)" || j=0; ((j++)) - - git branch commit_of_build_${CI_BUILD_ID} ${CI_COMMIT_SHA} - - git clone https://github.com/votca/votca - - pushd votca - - 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 ${CI_COMMIT_SHA} - - mkdir -p build - - pushd build - - cmake .. -DCMAKE_VERBOSE_MAKEFILE=ON -DENABLE_TESTING=ON -DENABLE_WERROR=ON - -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DENABLE_REGRESSION_TESTING=${REGRESSION_TESTING:-ON} - -DBUILD_OWN_GROMACS=${BUILD_GROMACS} ${BUILD_GROMACS:+-DENABLE_WARNING_FLAGS=OFF -DENABLE_WERROR=OFF} - -DMODULE_BUILD=${MODULE_BUILD} ${MODULE_BUILD:+-DCMAKE_INSTALL_PREFIX=/home/votca/votca.install} - - cmake --build . -- -j2 - - ctest --output-on-failure - - test -z "${MODULE_BUILD}" && DESTDIR=${PWD}/install cmake --build . --target install && rm -rf ${PWD}/install/usr && rmdir ${PWD}/install - - sudo cmake --build . --target install - - ccache -s - -Debug GCC: - stage: canary - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Debug" - extends: .build - -None GCC: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "" - extends: .build - -None Clang: - variables: - CC: "clang" - CXX: "clang++" - CMAKE_BUILD_TYPE: "" - extends: .build - -Debug Clang: - variables: - CC: "clang" - CXX: "clang++" - CMAKE_BUILD_TYPE: "Debug" - extends: .build - -Release GCC: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Release" - extends: .build - -Release Clang: - variables: - CC: "clang" - CXX: "clang++" - CMAKE_BUILD_TYPE: "Release" - extends: .build - -Release GCC Module: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Release" - MODULE_BUILD: "yes" - extends: .build - -Release GCC GMX2019: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Release" - DISTRO: "fedora_gmx2019" - extends: .build - -Release Clang GMX2019: - variables: - CC: "clang" - CXX: "clang++" - CMAKE_BUILD_TYPE: "Release" - DISTRO: "fedora_gmx2019" - extends: .build - -Release GCC GMX2019D: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Release" - DISTRO: "fedora_gmx2019_d" - extends: .build - -Release Clang GMX2019D: - variables: - CC: "clang" - CXX: "clang++" - CMAKE_BUILD_TYPE: "Release" - DISTRO: "fedora_gmx2019_d" - extends: .build - -# don't run no gmx 2020-9999 builds as there are no tabulated interactions - -Release GCC OWN GMX: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Release" - DISTRO: "fedora_nogmx" - BUILD_GROMACS: "yes" - extends: .build - diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.6.1/.travis.yml new/csg-tutorials-1.6.2/.travis.yml --- old/csg-tutorials-1.6.1/.travis.yml 2020-06-21 15:20:22.000000000 +0200 +++ new/csg-tutorials-1.6.2/.travis.yml 1970-01-01 01:00:00.000000000 +0100 @@ -1,136 +0,0 @@ -# the original source of this file can be found in votca/votca repository -# add changes there! -# To update: -# wget -O .travis.yml https://raw.githubusercontent.com/votca/votca/master/.travis.yml -language: cpp - -sudo: required - -services: -- docker - -git: - quiet: true - -stages: - - canary - - test - - deploy - -jobs: - include: - - stage: canary - env: ENV=3 - - stage: deploy - if: repo = votca/votca AND type != pull_request - env: ENV=1 - -env: - matrix: - - ENV=1 - - ENV=2 - - ENV=3 - - ENV=4 - - ENV=5 - - ENV=6 - - ENV=7 - - ENV=8 - - ENV=9 - - ENV=10 - - ENV=11 - - ENV=12 - - ENV=13 - - ENV=14 - - ENV=15 - - ENV=16 - - ENV=17 - - ENV=18 - - ENV=19 - - ENV=20 - -before_script: - - git checkout -b current_commit - - cd ../../ - - if [[ ${TRAVIS_REPO_SLUG} = */votca ]]; then - if [[ ${TRAVIS_BRANCH} = next ]]; then - git -C ${TRAVIS_REPO_SLUG} submodule foreach git checkout master; - git -C ${TRAVIS_REPO_SLUG} submodule foreach git pull; - fi; - cp -vr ${TRAVIS_REPO_SLUG}/docker ${HOME}; - mv -v ${TRAVIS_REPO_SLUG} $HOME/docker; - else - git clone -q --recursive https://github.com/votca/votca.git $HOME/docker/votca; - if [[ ${TRAVIS_BRANCH} != master ]]; then - git -C ${HOME}/docker/votca checkout -b ${TRAVIS_BRANCH} ${TRAVIS_TAG:-origin/${TRAVIS_BRANCH}} && git -C ${HOME}/docker/votca submodule update --recursive --init; - fi; - git -C ${HOME}/docker/votca/${TRAVIS_REPO_SLUG#*/} fetch ${PWD}/${TRAVIS_REPO_SLUG} current_commit; - git -C ${HOME}/docker/votca/${TRAVIS_REPO_SLUG#*/} checkout -f FETCH_HEAD; - cp -vr ${HOME}/docker/votca/docker/* ${HOME}/docker; - if [[ -d ${TRAVIS_REPO_SLUG}/docker ]]; then cp -vr ${TRAVIS_REPO_SLUG}/docker/* ${HOME}/docker; fi; - fi - - source ${HOME}/docker/set_env.sh - - test -n "${SKIP}" || cp -r $HOME/.ccache ${HOME}/docker/ccache - - sed -i "1s/latest/${DISTRO:-latest}/" ${HOME}/docker/Dockerfile - - if [[ ! ${SKIP} ]]; then - travis_retry timeout 540 docker pull $(sed -n '1s/FROM //p' ${HOME}/docker/Dockerfile) | cat; - fi - -script: - - if [[ ! ${SKIP} ]]; then - travis_retry docker build "${docker_opts[@]}" - ${TRAVIS_TAG:+-t votca/votca:${TRAVIS_TAG}} - -t votca/votca:latest -t votca/votca:${TRAVIS_BRANCH} ${HOME}/docker/ && - rm -rf $HOME/.ccache && - CON=$(docker run -d votca/votca:${TRAVIS_BRANCH} /bin/bash) && - docker cp ${CON}:/home/votca/.ccache ${HOME}/; - fi - -after_success: - - if [[ ${TRAVIS_REPO_SLUG} != votca/votca || ${TRAVIS_BUILD_STAGE_NAME} != "Deploy" || ${SKIP} ]]; then travis_terminate 0; fi - - shopt -s extglob && [[ ${TRAVIS_BRANCH} = @(master|stable|v1.*) ]] && DEPLOY=yes - - if [[ ${TRAVIS_BRANCH} = master ]]; then DOCKER_TAG=latest; else DOCKER_TAG="${TRAVIS_BRANCH}"; fi - - if [[ ${DOCKER_USERNAME} && ${DOCKER_PASSWORD} && ${TRAVIS_PULL_REQUEST} == false && ${DEPLOY} ]]; then - docker login -u="$DOCKER_USERNAME" -p="$DOCKER_PASSWORD"; - docker push "${TRAVIS_REPO_SLUG}:${DOCKER_TAG}"; - fi - - if true; then - git clone --depth=1 https://github.com/votca/doxygen.git "$HOME/devdoc"; - cd $HOME/devdoc; - rm -f *; - git checkout -- CNAME; - docker cp ${CON}:/home/votca/votca/build/share/doc/html . ; - mv html/* .; rmdir html; - docker cp ${CON}:/home/votca/votca/build/csg-manual/manual.pdf . ; - docker cp ${CON}:/home/votca/votca/build/xtp/manual/xtp-manual.pdf . ; - git add --all .; - if [[ ${TRAVIS_BRANCH} = master && ${encrypted_7abbb71c3ba6_key} && ${encrypted_7abbb71c3ba6_iv} && ${TRAVIS_PULL_REQUEST} == false ]]; then - git config --global user.name "Automatic Deployment (Travis CI)"; - git config --global user.email "[email protected]"; - git commit -m "Documentation Update"; - openssl aes-256-cbc -K $encrypted_7abbb71c3ba6_key -iv $encrypted_7abbb71c3ba6_iv -in keys/deploy3.enc -out ~/.ssh/id_rsa -d; - chmod 600 ~/.ssh/id_rsa; - git push [email protected]:votca/doxygen.git gh-pages; - else - git status; - git diff --cached --no-color | head -c 1k; - fi; - fi - -branches: - only: - - master - - development - - stable - - next - - /^v\d+\.\d+(\.\d+|_rc\d+)?$/ - -cache: - - ccache - -compiler: - - gcc - - clang - -notifications: - email: - - [email protected] diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.6.1/CMakeLists.txt new/csg-tutorials-1.6.2/CMakeLists.txt --- old/csg-tutorials-1.6.1/CMakeLists.txt 2020-06-21 15:20:22.000000000 +0200 +++ new/csg-tutorials-1.6.2/CMakeLists.txt 2020-08-22 15:31:16.000000000 +0200 @@ -2,7 +2,7 @@ project(csg-tutorials) -set(PROJECT_VERSION "1.6.1") +set(PROJECT_VERSION "1.6.2") # Cmake modules/macros are in a subdirectory to keep this file cleaner set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/CMakeModules) diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.6.1/CMakeModules/FindESPRESSO.cmake new/csg-tutorials-1.6.2/CMakeModules/FindESPRESSO.cmake --- old/csg-tutorials-1.6.1/CMakeModules/FindESPRESSO.cmake 2020-06-21 15:20:22.000000000 +0200 +++ new/csg-tutorials-1.6.2/CMakeModules/FindESPRESSO.cmake 2020-08-22 15:31:16.000000000 +0200 @@ -2,9 +2,9 @@ # # Once done this will define # -# ESPRESSO_FOUND - system has lmp +# ESPRESSO_FOUND - system has espressomd # -# Copyright 2009-2019 The VOTCA Development Team (http://www.votca.org) +# Copyright 2009-2020 The VOTCA Development Team (http://www.votca.org) # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. @@ -19,17 +19,33 @@ # limitations under the License. # -find_package(PythonInterp 3) +if(CMAKE_VERSION VERSION_LESS 3.12) + find_package(PythonInterp 3) + if(PYTHONINTERP_FOUND) + set(Python_EXECUTABLE ${PYTHON_EXECUTABLE}) + endif() +else() + find_package(Python COMPONENTS Interpreter) +endif() + set(IMPORT_ESPRESSO_SUCCESS FALSE) -if(PythonInterp_FOUND) - execute_process(COMMAND ${PYTHON_EXECUTABLE} -c "import espressomd" +if(Python_EXECUTABLE) + execute_process(COMMAND ${Python_EXECUTABLE} -c "import espressomd" RESULT_VARIABLE IMPORT_ESPRESSO) if(IMPORT_ESPRESSO EQUAL 0) set(IMPORT_ESPRESSO_SUCCESS TRUE) endif() endif() -# handle the QUIETLY and REQUIRED arguments and set LMP_FOUND to TRUE if +if(IMPORT_ESPRESSO_SUCCESS) + execute_process(COMMAND ${Python_EXECUTABLE} -c "import espressomd; exit(not espressomd.has_features('H5MD'))" + RESULT_VARIABLE ESPRESSO_HAS_H5MD) + if(ESPRESSO_HAS_H5MD EQUAL 0) + set(ESPRESSO_HAS_H5MD_SUCCESS TRUE) + endif() +endif() + +# handle the QUIETLY and REQUIRED arguments and set LMP_FOUND to TRUE if # all listed variables are TRUE include(FindPackageHandleStandardArgs) -find_package_handle_standard_args(ESPRESSO DEFAULT_MSG IMPORT_ESPRESSO_SUCCESS) +find_package_handle_standard_args(ESPRESSO DEFAULT_MSG IMPORT_ESPRESSO_SUCCESS ESPRESSO_HAS_H5MD_SUCCESS)
