Merge pull request #35 from votca/stable_ci

CI: switch to GitHub Actions

Author: junghans

.github/workflows/continuous-integration-workflow.yml

@@ -0,0 +1,72 @@
+name: CI
+on:
+  pull_request:
+    branches:
+      - master
+      - stable
+
+jobs:
+  CI:
+    continue-on-error: ${{ matrix.distro == 'ubuntu_devel' || matrix.distro == 'fedora_rawhide' || matrix.continue-on-error == true }}
+    strategy:
+      matrix:
+        distro: [latest, fedora_rawhide, opensuse, ubuntu, ubuntu_devel, ubuntu_rolling, ubuntu_18.04]
+        toolchain: [gnu]
+        cmake_build_type: [Release]
+        minimal: [false]
+        own_gmx: [false]
+        module_build: [false]
+        coverage: [false]
+        no_regression_testing: [true]
+        include:
+          - distro: latest
+            toolchain: gnu
+            cmake_build_type: Release
+            module_build: true
+            no_regression_testing: true
+    runs-on: ubuntu-latest
+    container: votca/buildenv:${{ 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: 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 }}

.github/workflows/forward-to-votca.yml

@@ -0,0 +1,17 @@
+name: Forward
+on:
+  push:
+    branches:
+      - master
+      - stable
+
+jobs:
+  VOTCA:
+    runs-on: ubuntu-latest
+    steps:
+      - name: Update submodule
+        uses: votca/actions/forward@master
+        with:
+          module: ${{ github.repository }}
+          token: ${{ secrets.VOTCA_BOT_TOKEN }}
+

.gitlab-ci.yml

@@ -1,5 +1,4 @@
 stages:
-  - canary
   - build
 
 .build_script:
@@ -35,13 +34,14 @@ stages:
     - pushd build
     - cmake .. -DCMAKE_VERBOSE_MAKEFILE=ON -DENABLE_TESTING=ON -DBUILD_XTP=ON -DENABLE_WERROR=ON
       -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
+      ${CMAKE_GENERATOR:+-G${CMAKE_GENERATOR}}
       -DMODULE_BUILD=${MODULE_BUILD} ${MODULE_BUILD:+-DCMAKE_INSTALL_PREFIX=/home/votca/votca.install}
-      -DWITH_MKL=${WITH_MKL} -DCMAKE_DISABLE_FIND_PACKAGE_MKL=${DISABLE_MKL}
+      -DCMAKE_DISABLE_FIND_PACKAGE_MKL=${DISABLE_MKL}
       -DUSE_CUDA=${USE_CUDA}      
-    - cmake --build . -- -j2
+    - cmake --build . --parallel 2
     - ctest --output-on-failure
-    - test -z "${MODULE_BUILD}" && DESTDIR=${PWD}/install cmake --build . --target install && rm -rf ${PWD}/install/usr && rmdir ${PWD}/install
-    - sudo cmake --build . --target install
+    - test -z "${MODULE_BUILD}" && DESTDIR=${PWD}/install cmake --install . && rm -rf ${PWD}/install/usr && rmdir ${PWD}/install
+    - sudo cmake --install .
     - if [[ ${CLANG_FORMAT} ]]; then cmake --build . --target format && git -C ${CI_PROJECT_DIR}/votca/${CI_PROJECT_NAME} diff --exit-code; fi
     - ccache -s
 
@@ -51,135 +51,13 @@ stages:
   image: votca/buildenv:${DISTRO}
   extends: .build_script
 
-Debug GCC:
-  stage: canary
-  variables:
-    CC: "gcc"
-    CXX: "g++"
-    CMAKE_BUILD_TYPE: "Debug"
-    CLANG_FORMAT: "yes"
-  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"
-  extends: .build
-
-Debug Clang Ubuntu:
-  variables:
-    CC: "clang"
-    CXX: "clang++"
-    CMAKE_BUILD_TYPE: "Debug"
-    DISTRO: "ubuntu"
-  extends: .build
-
-Release GCC Ubuntu:
-  variables:
-    CC: "gcc"
-    CXX: "g++"
-    CMAKE_BUILD_TYPE: "Release"
-    DISTRO: "ubuntu"
-  extends: .build
-
-Release Clang Ubuntu:
-  variables:
-    CC: "clang"
-    CXX: "clang++"
-    CMAKE_BUILD_TYPE: "Release"
-    DISTRO: "ubuntu"
-  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 Module:
-  variables:
-    CC: "gcc"
-    CXX: "g++"
-    CMAKE_BUILD_TYPE: "Release"
-    MODULE_BUILD: "yes"
-  extends: .build
-
 Debug GPU Ubuntu:
   variables:
     CC: "gcc"
     CXX: "g++"
     CMAKE_BUILD_TYPE: "Debug"
     USE_CUDA: "yes"
-    WITH_MKL: "no"
     DISABLE_MKL: "yes"
-    NO_INSTALL: "yes"
   before_script:
     - source /opt/gromacs-2019/bin/GMXRC.bash
   extends: .build_script