Update fortran-build.yml

grimme-lab · Feb 4, 2025 · a6e2288 · a6e2288
1 parent 74817cb
commit a6e2288
Showing 1 changed file with 57 additions and 57 deletions.
diff --git a/.github/workflows/fortran-build.yml b/.github/workflows/fortran-build.yml
@@ -3,60 +3,60 @@ on: [push, pull_request]
 env:
    BUILD_DIR: _build
 jobs:
-intel-meson-build:
-      runs-on: ${{ matrix.os }}
-      strategy:
-         fail-fast: false
-         matrix:
-            os: [ubuntu-latest]
-            fc: [ifort]
-            cc: [icc]
-      env:
-         FC: ${{ matrix.fc }}
-         CC: ${{ matrix.cc }}
-         APT_PACKAGES: >-
-            intel-oneapi-compiler-fortran-2022.1.0 intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic-2022.1.0 intel-oneapi-mkl-2022.1.0 intel-oneapi-mkl-devel-2022.1.0 asciidoctor
-      steps:
-         - name: Checkout code
-           uses: actions/checkout@v4
-         - name: Setup Python
-           uses: actions/setup-python@v5
-           with:
-            python-version: 3.x
-         - run: pip3 install meson ninja --user
-         - name: Add Intel repository
-           if: contains(matrix.os, 'ubuntu')
-           run: |
-            wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
-            sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
-            rm GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
-            echo "deb https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
-            sudo apt-get update
-         - name: Install Intel oneAPI compiler
-           if: contains(matrix.os, 'ubuntu')
-           run: |
-            sudo apt-get install ${APT_PACKAGES}
-            source /opt/intel/oneapi/setvars.sh
-            printenv >> $GITHUB_ENV
-         - name: Configure meson build
-           run: >-
-            meson setup ${{ env.BUILD_DIR }} --prefix=/ --libdir=lib -Dfortran_link_args="-lifcoremt -static" -Ddefault_library=static -Dlapack=mkl
-         - name: Build project
-           run: ninja -C ${{ env.BUILD_DIR }}
-         - name: Run unit tests
-           run: >-
-            meson test -C ${{ env.BUILD_DIR }} --print-errorlogs --num-processes 1 --no-rebuild --suite xtb -t 120
-           env:
-            OMP_NUM_THREADS: 2,1
-         - name: Install package
-           run: |
-            meson install -C ${{ env.BUILD_DIR }} --no-rebuild
-            tar cJvf QCxMS2-bleed.tar.xz xtb-bleed
-           env:
-            DESTDIR: ${{ env.PWD }}/xtb-bleed
-         - name: Upload binary
-           if: github.event_name == 'push'
-           uses: actions/upload-artifact@v4
-           with:
-            name: QCxMS2-bleed.tar.xz
-            path: QCxMS2-bleed.tar.xz
+   intel-meson-build:
+         runs-on: ${{ matrix.os }}
+         strategy:
+            fail-fast: false
+            matrix:
+               os: [ubuntu-latest]
+               fc: [ifort]
+               cc: [icc]
+         env:
+            FC: ${{ matrix.fc }}
+            CC: ${{ matrix.cc }}
+            APT_PACKAGES: >-
+               intel-oneapi-compiler-fortran-2022.1.0 intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic-2022.1.0 intel-oneapi-mkl-2022.1.0 intel-oneapi-mkl-devel-2022.1.0 asciidoctor
+         steps:
+            - name: Checkout code
+              uses: actions/checkout@v4
+            - name: Setup Python
+              uses: actions/setup-python@v5
+              with:
+               python-version: 3.x
+            - run: pip3 install meson ninja --user
+            - name: Add Intel repository
+              if: contains(matrix.os, 'ubuntu')
+              run: |
+               wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
+               sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
+               rm GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
+               echo "deb https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
+               sudo apt-get update
+            - name: Install Intel oneAPI compiler
+              if: contains(matrix.os, 'ubuntu')
+              run: |
+               sudo apt-get install ${APT_PACKAGES}
+               source /opt/intel/oneapi/setvars.sh
+               printenv >> $GITHUB_ENV
+            - name: Configure meson build
+              run: >-
+               meson setup ${{ env.BUILD_DIR }} --prefix=/ --libdir=lib -Dfortran_link_args="-lifcoremt -static" -Ddefault_library=static -Dlapack=mkl
+            - name: Build project
+              run: ninja -C ${{ env.BUILD_DIR }}
+            - name: Run unit tests
+              run: >-
+               meson test -C ${{ env.BUILD_DIR }} --print-errorlogs --num-processes 1 --no-rebuild --suite xtb -t 120
+              env:
+               OMP_NUM_THREADS: 2,1
+            - name: Install package
+              run: |
+               meson install -C ${{ env.BUILD_DIR }} --no-rebuild
+               tar cJvf QCxMS2-bleed.tar.xz xtb-bleed
+              env:
+               DESTDIR: ${{ env.PWD }}/xtb-bleed
+            - name: Upload binary
+              if: github.event_name == 'push'
+              uses: actions/upload-artifact@v4
+              with:
+               name: QCxMS2-bleed.tar.xz
+               path: QCxMS2-bleed.tar.xz