Hello community, here is the log from the commit of package votca-tools for openSUSE:Factory checked in at 2020-08-25 09:36:23 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/votca-tools (Old) and /work/SRC/openSUSE:Factory/.votca-tools.new.3399 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-tools" Tue Aug 25 09:36:23 2020 rev:16 rq:828957 version:1.6.2 Changes: -------- --- /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes 2020-06-23 21:05:49.906082066 +0200 +++ /work/SRC/openSUSE:Factory/.votca-tools.new.3399/votca-tools.changes 2020-08-25 09:37:39.408172272 +0200 @@ -1,0 +2,9 @@ +Sat Aug 22 18:08:56 UTC 2020 - Christoph Junghans <jungh...@votca.org> + +- Update to 1.6.2 + - format code with clang-10 ([gh#votca/tools#278]) + - move CI to GitHub Actions ([gh#votca/tools#280], + [gh#votca/tools#285], [gh#votca/tools#287]) + - fix build with mkl ([gh#votca/tools#283]) + +------------------------------------------------------------------- Old: ---- votca-tools-1.6.1.tar.gz New: ---- votca-tools-1.6.2.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ votca-tools.spec ++++++ --- /var/tmp/diff_new_pack.HiQFwI/_old 2020-08-25 09:37:40.720173037 +0200 +++ /var/tmp/diff_new_pack.HiQFwI/_new 2020-08-25 09:37:40.724173040 +0200 @@ -18,7 +18,7 @@ Name: votca-tools -Version: 1.6.1 +Version: 1.6.2 Release: 0 %define uversion %{version} %define sover 6 @@ -91,7 +91,7 @@ sed -i '1s@env @@' %{buildroot}/%{_bindir}/votca_compare %check -make -C build test CTEST_OUTPUT_ON_FAILURE=1 %{?testargs} +%ctest %files %{_bindir}/votca_* ++++++ votca-tools-1.6.1.tar.gz -> votca-tools-1.6.2.tar.gz ++++++ diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/.github/workflows/changelog.yml new/tools-1.6.2/.github/workflows/changelog.yml --- old/tools-1.6.1/.github/workflows/changelog.yml 1970-01-01 01:00:00.000000000 +0100 +++ new/tools-1.6.2/.github/workflows/changelog.yml 2020-08-22 15:31:14.000000000 +0200 @@ -0,0 +1,40 @@ +name: Changelog +on: + issue_comment: + types: [created] +jobs: + edit: + name: add entry + if: ${{ startsWith(github.event.comment.body, '@votca-bot changelog:') }} + runs-on: ubuntu-latest + steps: + - name: Check if message comes from PR + uses: octokit/request-action@v2.x + id: issue_info + with: + route: GET /repos/:repository/issues/:pull_number + repository: ${{ github.repository }} + pull_number: ${{ github.event.issue.number }} + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + - name: Get PR info + if: ${{ fromJSON(steps.issue_info.outputs.data).pull_request }} + uses: octokit/request-action@v2.x + id: pr_info + with: + route: GET /repos/:repository/pulls/:pull_number + repository: ${{ github.repository }} + pull_number: ${{ github.event.issue.number }} + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + - name: Checkout head branch from PR + if: ${{ fromJSON(steps.issue_info.outputs.data).pull_request }} + uses: actions/checkout@v2.2.0 + with: + repository: ${{ fromJSON(steps.pr_info.outputs.data).head.repo.full_name }} + ref: ${{ fromJSON(steps.pr_info.outputs.data).head.ref }} + token: ${{ secrets.VOTCA_BOT_TOKEN }} + - name: Create and commit changelog entry + if: ${{ fromJSON(steps.issue_info.outputs.data).pull_request }} + uses: votca/actions/changelog@master + with: + message: ${{ github.event.comment.body }} + pr_number: ${{ github.event.issue.number }} diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/.github/workflows/continuous-integration-workflow.yml new/tools-1.6.2/.github/workflows/continuous-integration-workflow.yml --- old/tools-1.6.1/.github/workflows/continuous-integration-workflow.yml 1970-01-01 01:00:00.000000000 +0100 +++ new/tools-1.6.2/.github/workflows/continuous-integration-workflow.yml 2020-08-22 15:31:14.000000000 +0200 @@ -0,0 +1,85 @@ +name: CI +on: + pull_request: + branches: + - master + - stable + +jobs: + CI: + continue-on-error: ${{ matrix.distro == 'ubuntu_devel' || matrix.distro == 'fedora_rawhide' || matrix.continue-on-error == true }} + strategy: + matrix: + distro: [latest, fedora_rawhide, opensuse, ubuntu, ubuntu_devel, ubuntu_rolling, ubuntu_18.04, intel] + toolchain: [gnu, clang] + cmake_build_type: [Release, Debug] + minimal: [false] + own_gmx: [false] + module_build: [false] + coverage: [false] + include: + - distro: fedora_nogmx + toolchain: gnu + cmake_build_type: Release + minimal: true + - distro: fedora_nogmx + toolchain: clang + cmake_build_type: Release + minimal: true + - distro: latest + toolchain: gnu + cmake_build_type: Release + module_build: true + - distro: intel + toolchain: gnu + cmake_build_type: Release + module_build: true + runs-on: ubuntu-latest + container: votca/buildenv:${{ matrix.distro }} + steps: + - uses: actions/checkout@v2.2.0 + 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: Doxygen + if: ${{ ! matrix.module_build }} + run: cmake --build builddir --target doxygen + - 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 Formatting + if: ${{ steps.setup.outputs.check_format == 'true' }} + run: cmake --build builddir --target format && git -C votca/${{ steps.setup.outputs.module }} diff --exit-code diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/.github/workflows/create-pr.yml new/tools-1.6.2/.github/workflows/create-pr.yml --- old/tools-1.6.1/.github/workflows/create-pr.yml 1970-01-01 01:00:00.000000000 +0100 +++ new/tools-1.6.2/.github/workflows/create-pr.yml 2020-08-22 15:31:14.000000000 +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 "git...@votca.org" + git checkout -b stable_fixes + git merge origin/master || true + git push origin stable_fixes + - name: Create Pull Request + uses: actions/github-script@0.3.0 + with: + github-token: ${{ secrets.VOTCA_BOT_TOKEN }} + script: | + github.pulls.create({ + owner: 'votca', + repo: 'tools', + title: 'Fixes from stable', + head: 'stable_fixes', + base: 'master' + }) diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/.github/workflows/create-release.yml new/tools-1.6.2/.github/workflows/create-release.yml --- old/tools-1.6.1/.github/workflows/create-release.yml 1970-01-01 01:00:00.000000000 +0100 +++ new/tools-1.6.2/.github/workflows/create-release.yml 2020-08-22 15:31:14.000000000 +0200 @@ -0,0 +1,28 @@ +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: Checkout code + uses: actions/checkout@v2 + - name: Create Changlog + uses: votca/actions/release_changelog@master + with: + version: ${{ github.ref }} + changelog: 'release_changelog.md' + - 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') }} + body_path: 'release_changelog.md' diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/.github/workflows/format.yml new/tools-1.6.2/.github/workflows/format.yml --- old/tools-1.6.1/.github/workflows/format.yml 1970-01-01 01:00:00.000000000 +0100 +++ new/tools-1.6.2/.github/workflows/format.yml 2020-08-22 15:31:14.000000000 +0200 @@ -0,0 +1,46 @@ +name: Format +on: + issue_comment: + types: [created] +jobs: + edit: + name: clang-format + if: ${{ github.event.comment.body == '@votca-bot format' }} + runs-on: ubuntu-latest + container: votca/buildenv:format + steps: + - name: Check if message comes from PR + uses: octokit/request-action@v2.x + id: issue_info + with: + route: GET /repos/:repository/issues/:pull_number + repository: ${{ github.repository }} + pull_number: ${{ github.event.issue.number }} + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + - name: Get PR info + if: ${{ fromJSON(steps.issue_info.outputs.data).pull_request }} + uses: octokit/request-action@v2.x + id: pr_info + with: + route: GET /repos/:repository/pulls/:pull_number + repository: ${{ github.repository }} + pull_number: ${{ github.event.issue.number }} + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + - name: Checkout head branch from PR + if: ${{ fromJSON(steps.issue_info.outputs.data).pull_request }} + uses: actions/checkout@master + with: + repository: ${{ fromJSON(steps.pr_info.outputs.data).head.repo.full_name }} + ref: ${{ fromJSON(steps.pr_info.outputs.data).head.ref }} + token: ${{ secrets.VOTCA_BOT_TOKEN }} + - name: Run clang-format + if: ${{ fromJSON(steps.issue_info.outputs.data).pull_request }} + run: find . -type f -regex ".*\.\(c\|h\|cc\|cpp\|hpp\)" -print0 | xargs -0 clang-format -i -style=file + - name: Commit and push + if: ${{ fromJSON(steps.issue_info.outputs.data).pull_request }} + run: | + git config --global user.name "Votca Bot" + git config --global user.email "git...@votca.org" + git add -u + git commit -m "Format code using $(clang-format --version)" || true + git push diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/.github/workflows/forward-to-votca.yml new/tools-1.6.2/.github/workflows/forward-to-votca.yml --- old/tools-1.6.1/.github/workflows/forward-to-votca.yml 1970-01-01 01:00:00.000000000 +0100 +++ new/tools-1.6.2/.github/workflows/forward-to-votca.yml 2020-08-22 15:31:14.000000000 +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: ${{ secrets.VOTCA_BOT_TOKEN }} + diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/.gitlab-ci.yml new/tools-1.6.2/.gitlab-ci.yml --- old/tools-1.6.1/.gitlab-ci.yml 2020-06-21 15:20:17.000000000 +0200 +++ new/tools-1.6.2/.gitlab-ci.yml 1970-01-01 01:00:00.000000000 +0100 @@ -1,199 +0,0 @@ -stages: - - canary - - build - -.build: - retry: - max: 2 - variables: - CCACHE_DIR: "${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 ${CI_COMMIT_SHA} - - mkdir -p build - - pushd build - - cmake .. -DCMAKE_VERBOSE_MAKEFILE=ON -DENABLE_TESTING=ON -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON -DBUILD_CSG_MANUAL=ON -DENABLE_WERROR=ON - -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DENABLE_REGRESSION_TESTING=${REGRESSION_TESTING:-ON} - -DBUILD_OWN_GROMACS=${BUILD_GROMACS} ${BUILD_GROMACS:+-DENABLE_WARNING_FLAGS=OFF} - -DMODULE_BUILD=${MODULE_BUILD} ${MODULE_BUILD:+-DCMAKE_INSTALL_PREFIX=/home/votca/votca.install} - ${MINIMAL:+-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=ON -DCMAKE_DISABLE_FIND_PACKAGE_FFTW3=ON - -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON -DBUILD_MANPAGES=OFF -DWITH_GMX=OFF -DBUILD_XTP=OFF -DENABLE_REGRESSION_TESTING=OFF} - - cmake --build . -- -j2 - - ctest --output-on-failure - - test -z "${MODULE_BUILD}" && DESTDIR=${PWD}/install cmake --build . --target install && rm -rf ${PWD}/install/usr && rmdir ${PWD}/install - - sudo cmake --build . --target install - - if [[ ${CLANG_FORMAT} ]]; then cmake --build . --target format && git -C ${CI_PROJECT_DIR}/votca/${CI_PROJECT_NAME} diff --exit-code; fi - - ccache -s - -Debug GCC Format: - stage: canary - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Debug" - REGRESSION_TESTING: "OFF" - CLANG_FORMAT: "yes" - extends: .build - -Debug GCC: - 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 - -Debug GCC Ubuntu: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Debug" - DISTRO: "ubuntu" - REGRESSION_TESTING: "OFF" - extends: .build - -Debug Clang Ubuntu: - variables: - CC: "clang" - CXX: "clang++" - CMAKE_BUILD_TYPE: "Debug" - DISTRO: "ubuntu" - REGRESSION_TESTING: "OFF" - extends: .build - -Release GCC Ubuntu: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Release" - DISTRO: "ubuntu" - REGRESSION_TESTING: "OFF" - extends: .build - -Release Clang Ubuntu: - variables: - CC: "clang" - CXX: "clang++" - CMAKE_BUILD_TYPE: "Release" - DISTRO: "ubuntu" - REGRESSION_TESTING: "OFF" - extends: .build - -Debug GCC Rawhide: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Debug" - DISTRO: "fedora_rawhide" - extends: .build - allow_failure: true - -Debug Clang Rawhide: - variables: - CC: "clang" - CXX: "clang++" - CMAKE_BUILD_TYPE: "Debug" - DISTRO: "fedora_rawhide" - extends: .build - allow_failure: true - -Release GCC Rawhide: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Release" - DISTRO: "fedora_rawhide" - extends: .build - allow_failure: true - -Release Clang Rawhide: - variables: - CC: "clang" - CXX: "clang++" - CMAKE_BUILD_TYPE: "Release" - DISTRO: "fedora_rawhide" - extends: .build - allow_failure: true - -Release GCC Minimal: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Release" - MINIMAL: "yes" - DISTRO: "fedora_nogmx" - extends: .build - -Release Clang Minimal: - variables: - CC: "clang" - CXX: "clang++" - CMAKE_BUILD_TYPE: "Release" - MINIMAL: "yes" - DISTRO: "fedora_nogmx" - extends: .build - -Release GCC Module: - variables: - CC: "gcc" - CXX: "g++" - CMAKE_BUILD_TYPE: "Release" - MODULE_BUILD: "yes" - extends: .build diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/.travis.yml new/tools-1.6.2/.travis.yml --- old/tools-1.6.1/.travis.yml 2020-06-21 15:20:17.000000000 +0200 +++ new/tools-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 "votca-comm...@googlegroups.com"; - git commit -m "Documentation Update"; - openssl aes-256-cbc -K $encrypted_7abbb71c3ba6_key -iv $encrypted_7abbb71c3ba6_iv -in keys/deploy3.enc -out ~/.ssh/id_rsa -d; - chmod 600 ~/.ssh/id_rsa; - git push g...@github.com:votca/doxygen.git gh-pages; - else - git status; - git diff --cached --no-color | head -c 1k; - fi; - fi - -branches: - only: - - master - - development - - stable - - next - - /^v\d+\.\d+(\.\d+|_rc\d+)?$/ - -cache: - - ccache - -compiler: - - gcc - - clang - -notifications: - email: - - votca-comm...@googlegroups.com diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/CHANGELOG.md new/tools-1.6.2/CHANGELOG.md --- old/tools-1.6.1/CHANGELOG.md 2020-06-21 15:20:17.000000000 +0200 +++ new/tools-1.6.2/CHANGELOG.md 2020-08-22 15:31:14.000000000 +0200 @@ -1,5 +1,10 @@ For more detailed information about the changes see the history of the [repository](https://github.com/votca/tools/commits/stable). +## Version 1.6.2 (released 22.08.20) +* format code with clang-10 (#278) +* move CI to GitHub Actions (#280, #285, #287) +* fix build with mkl (#283) + ## Version 1.6.1 (released 21.06.20) * fix build with mkl (#229) * fix build with non-system libfftw (#234) diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/CMakeLists.txt new/tools-1.6.2/CMakeLists.txt --- old/tools-1.6.1/CMakeLists.txt 2020-06-21 15:20:17.000000000 +0200 +++ new/tools-1.6.2/CMakeLists.txt 2020-08-22 15:31:14.000000000 +0200 @@ -2,7 +2,7 @@ project(votca-tools) -set(PROJECT_VERSION "1.6.1") +set(PROJECT_VERSION "1.6.2") 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}") @@ -18,8 +18,6 @@ enable_language(CXX) - - ###################################################################### # compiler tests # these need ot be done early (before further tests). diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/CMakeModules/FindMKL.cmake new/tools-1.6.2/CMakeModules/FindMKL.cmake --- old/tools-1.6.1/CMakeModules/FindMKL.cmake 2020-06-21 15:20:17.000000000 +0200 +++ new/tools-1.6.2/CMakeModules/FindMKL.cmake 2020-08-22 15:31:14.000000000 +0200 @@ -60,7 +60,7 @@ include(CheckTypeSize) check_type_size("int" INT_SIZE - BUILTIN_TYPES_ONLY LANGUAGE C) + BUILTIN_TYPES_ONLY LANGUAGE CXX) set(MKL_THREAD_LAYER "TBB" CACHE STRING "The thread layer to choose for MKL") diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/README.md new/tools-1.6.2/README.md --- old/tools-1.6.1/README.md 2020-06-21 15:20:17.000000000 +0200 +++ new/tools-1.6.2/README.md 2020-08-22 15:31:14.000000000 +0200 @@ -1,7 +1,6 @@ -[![Codacy Badge](https://api.codacy.com/project/badge/Grade/2b91dfad1a2f416faf82432981891767)](https://www.codacy.com/manual/votca-package/tools?utm_source=github.com&utm_medium=referral&utm_content=votca/tools&utm_campaign=Badge_Grade) +[![Codacy Badge](https://app.codacy.com/project/badge/Grade/ace4de06384644b5855fcee4c3c20966)](https://www.codacy.com/gh/votca/tools?utm_source=github.com&utm_medium=referral&utm_content=votca/tools&utm_campaign=Badge_Grade) [![codecov](https://codecov.io/gh/votca/tools/branch/master/graph/badge.svg)](https://codecov.io/gh/votca/tools) -[![Build Status](https://travis-ci.org/votca/tools.svg?branch=master)](https://travis-ci.org/votca/tools) -[![pipeline status](https://gitlab.com/votca/tools/badges/master/pipeline.svg)](https://gitlab.com/votca/tools/commits/master) +[![CI](https://github.com/votca/votca/workflows/CI/badge.svg?branch=stable)](https://github.com/votca/votca/actions?query=workflow%3ACI+branch%3Astable) This is the tools module of the VOTCA package. diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/include/votca/tools/unitconverter.h new/tools-1.6.2/include/votca/tools/unitconverter.h --- old/tools-1.6.1/include/votca/tools/unitconverter.h 2020-06-21 15:20:17.000000000 +0200 +++ new/tools-1.6.2/include/votca/tools/unitconverter.h 2020-08-22 15:31:14.000000000 +0200 @@ -44,8 +44,8 @@ class UnitConverter { private: /// All distances with respect to Ang - constexpr double getDistanceValue_(const DistanceUnit& enum_type) const - noexcept { + constexpr double getDistanceValue_( + const DistanceUnit& enum_type) const noexcept { switch (enum_type) { case DistanceUnit::meters: return 1E10; @@ -117,16 +117,16 @@ const DistanceUnit& to) const noexcept { return getDistanceValue_(from) / getDistanceValue_(to); } - constexpr double convert(const TimeUnit& from, const TimeUnit& to) const - noexcept { + constexpr double convert(const TimeUnit& from, + const TimeUnit& to) const noexcept { return getTimeValue_(from) / getTimeValue_(to); } - constexpr double convert(const MassUnit& from, const MassUnit& to) const - noexcept { + constexpr double convert(const MassUnit& from, + const MassUnit& to) const noexcept { return getMassValue_(from) / getMassValue_(to); } - constexpr double convert(const EnergyUnit& from, const EnergyUnit& to) const - noexcept { + constexpr double convert(const EnergyUnit& from, + const EnergyUnit& to) const noexcept { return getEnergyValue_(from) / getEnergyValue_(to); } }; diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/src/libtools/VOTCA_TOOLSConfig.cmake.in new/tools-1.6.2/src/libtools/VOTCA_TOOLSConfig.cmake.in --- old/tools-1.6.1/src/libtools/VOTCA_TOOLSConfig.cmake.in 2020-06-21 15:20:17.000000000 +0200 +++ new/tools-1.6.2/src/libtools/VOTCA_TOOLSConfig.cmake.in 2020-08-22 15:31:14.000000000 +0200 @@ -7,6 +7,7 @@ set_property(TARGET VOTCA::votca_compare PROPERTY IMPORTED_LOCATION "@CMAKE_INSTALL_FULL_BINDIR@/votca_compare") endif() if(@MKL_FOUND@) + enable_language(CXX) list(APPEND CMAKE_MODULE_PATH ${CMAKE_CURRENT_LIST_DIR}) set(MKL_THREAD_LAYER "@MKL_THREAD_LAYER@" CACHE STRING "The thread layer to choose for MKL") find_dependency(MKL REQUIRED) diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.6.1/src/tests/CMakeLists.txt new/tools-1.6.2/src/tests/CMakeLists.txt --- old/tools-1.6.1/src/tests/CMakeLists.txt 2020-06-21 15:20:17.000000000 +0200 +++ new/tools-1.6.2/src/tests/CMakeLists.txt 2020-08-22 15:31:14.000000000 +0200 @@ -44,6 +44,12 @@ set_tests_properties(unit_${PROG} PROPERTIES LABELS "tools;votca;unit") if(VALGRIND_FOUND) + # https://github.com/votca/tools/issues/268 + # tests seem to trigger a 'Address 0x0 is not stack'd, malloc'd or (recently) free'd' in valgrind + set(BROCKEN_MKL_TEST test_crosscorrelate test_cubicspline test_linalg test_linspline) + if(MKL_FOUND AND PROG IN_LIST BROCKEN_MKL_TEST) + continue() + endif() add_test(NAME memory_${PROG} COMMAND "${VALGRIND_EXECUTABLE}" --tool=memcheck --leak-check=yes --show-reachable=yes --num-callers=20 --track-fds=yes --error-exitcode=1 $<TARGET_FILE:unit_${PROG}>) set_tests_properties(memory_${PROG} PROPERTIES LABELS "tools;votca;memory") endif(VALGRIND_FOUND)