Cmake

.github/workflows/ci.yaml

@@ -0,0 +1,19 @@
+name: CI
+
+on:
+  workflow_dispatch:
+  pull_request:
+    branches: [ develop ]
+  push:
+    branches: [ develop ]
+
+permissions:
+  contents: read
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
+jobs:
+  tests:
+    uses: ./.github/workflows/step_test.yaml

.github/workflows/step_test.yaml

@@ -0,0 +1,100 @@
+name: test
+run-name: Run tests
+
+concurrency:
+  group: ${{ github.ref }}
+  cancel-in-progress: true
+
+on:
+  workflow_call:
+
+permissions:
+  contents: read
+
+jobs:
+  pre-commit:
+    name: Check pre-commit
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v3
+      - uses: actions/setup-python@v4
+      - uses: pre-commit/[email protected]
+
+  tests:
+    name: Check on ${{ matrix.toolchain }} toolchain ${{ matrix.mpi }}
+    runs-on: ${{ matrix.os || 'ubuntu-latest' }}
+    container: ${{ !matrix.os && 'ghcr.io/lecrisut/dev-env:main' || '' }}
+    needs: [ pre-commit ]
+    continue-on-error: ${{ matrix.experimental || false }}
+    strategy:
+      fail-fast: false
+      matrix:
+        toolchain: [ gcc, llvm, intel ]
+        mpi: ['', openmpi, mpich, intel]
+        include:
+          # flang is missing features in 16.0.6
+          - toolchain: llvm
+            experimental: true
+    steps:
+      - name: Install missing packages
+        run: dnf install -y bzip2 python-unversioned-command
+      - name: Load mpi module ${{ matrix.mpi }}
+        run: |
+          # Get interactive profile to be able to load modules
+          source /etc/profile
+
+          # Save the current environment since we only want the added difference
+          printenv > orig_env
+
+          # Load the relevant mpi module
+          module load mpi/${{ matrix.mpi }}
+          printenv > module_env
+
+          diff orig_env module_env | sed -n 's/> //p' >> $GITHUB_ENV
+
+          # Set MPI flag on
+          echo "WITH_MPI=ON" >> $GITHUB_ENV
+        if: ${{ matrix.mpi }}
+      - name: Enable msvc toolchain on windows
+        uses: ilammy/msvc-dev-cmd@v1
+        if: contains(matrix.os, 'windows')
+      - name: Activate Intel compilers
+        run: |
+          source /etc/profile
+          printenv > orig_env
+          module load compiler
+          printenv > module_env
+          diff orig_env module_env | sed -n 's/> //p' >> $GITHUB_ENV
+          echo $PATH >> $GITHUB_PATH
+        if: matrix.toolchain == 'intel'
+      - uses: actions/checkout@v3
+      - uses: lukka/get-cmake@latest
+      - name: Run CMake configuration for ${{ matrix.toolchain }} toolchain
+        uses: lukka/[email protected]
+        with:
+          workflowPreset: "${{ matrix.toolchain }}-ci"
+
+  coverage:
+    name: Check test coverage
+    runs-on: ubuntu-latest
+    needs: [ tests ]
+    steps:
+      - uses: actions/checkout@v3
+      - uses: lukka/get-cmake@latest
+      - name: Get test coverage
+        uses: lukka/[email protected]
+        with:
+          workflowPreset: ci-coverage
+      - name: Get lcov data
+        uses: danielealbano/lcov-action@v3
+        with:
+          # Note lcov-action prepends and appends wild-cards *. Account for those
+          # https://github.com/danielealbano/lcov-action/issues/11
+          remove_patterns: /test/,/cmake-build*/
+      - name: Upload coverage to Codecov
+        uses: codecov/codecov-action@v3
+        with:
+          name: ${{ matrix.coverage }} coverage
+          files: coverage.info
+          flags: ${{ matrix.coverage }}
+          verbose: true

.gitignore

@@ -1,13 +1,31 @@
-wannier90.x
-postw90.x
-.DS_Store
-make.inc
-w90chk2chk.x
-w90spn2spn.x
-libwannier.a
-libwan2.a
-libwannier.so
-libwannier.dylib
-*~
-*.x.dSYM
+### Build system
+cmake-build-*/
+build/
+CMakeLists.txt.user
+CMakeCache.txt
+CMakeFiles
+CMakeScripts
+Testing
+Makefile
+cmake_install.cmake
+install_manifest.txt
+compile_commands.json
+CTestTestfile.cmake
+_deps
+
+
+### Other
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+### IDE files
 .vscode
+/.idea
+
+### Project files
+/CMakeUserPresets.json