diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml index edf6d9de..abbccd8d 100644 --- a/.github/workflows/build.yml +++ b/.github/workflows/build.yml @@ -23,7 +23,7 @@ jobs: strategy: matrix: - os: [ ubuntu-20.04, macos-11 ] + os: [ ubuntu-22.04, macos-11 ] python: [ 3.9 ] plat: [ x86_64 ] parallel: [ mpi, serial, serial-pytest, any-symm-pytest ] @@ -47,13 +47,13 @@ jobs: python -m pip install mkl==2021.4 mkl-include intel-openmp numpy 'cmake>=3.19' pybind11==2.10.1 - name: install requirements (linux / mpi) - if: matrix.parallel == 'mpi' && matrix.os == 'ubuntu-20.04' + if: matrix.parallel == 'mpi' && matrix.os == 'ubuntu-22.04' run: | sudo apt-get install libopenmpi-dev python -m pip install mpi4py - name: build gtest (linux) - if: matrix.os == 'ubuntu-20.04' + if: matrix.os == 'ubuntu-22.04' run: | lscpu sudo apt-get install libgtest-dev @@ -99,7 +99,7 @@ jobs: make -j 2 - name: build test (serial, linux) - if: matrix.parallel == 'serial' && matrix.os == 'ubuntu-20.04' + if: matrix.parallel == 'serial' && matrix.os == 'ubuntu-22.04' env: MKLROOT: ~/.local run: | @@ -128,7 +128,7 @@ jobs: ./block2_tests - name: run test (serial-pytest, linux) - if: matrix.parallel == 'serial-pytest' && matrix.os == 'ubuntu-20.04' + if: matrix.parallel == 'serial-pytest' && matrix.os == 'ubuntu-22.04' run: | python -m pip install pytest 'pyscf==2.1.0' 'scipy==1.10.1' export PYTHONPATH=$(pwd)/build:$(pwd):${PYTHONPATH} @@ -142,7 +142,7 @@ jobs: py.test -s pyblock2/unit_test/*.py - name: run test (any-symm-pytest, linux) - if: matrix.parallel == 'any-symm-pytest' && matrix.os == 'ubuntu-20.04' + if: matrix.parallel == 'any-symm-pytest' && matrix.os == 'ubuntu-22.04' run: | python -m pip install pytest 'pyscf==2.1.0' 'scipy==1.10.1' export PYTHONPATH=$(pwd)/build:$(pwd):${PYTHONPATH} @@ -178,7 +178,7 @@ jobs: strategy: matrix: - os: [ ubuntu-20.04, macos-11 ] + os: [ ubuntu-22.04, macos-11, macos-12 ] python: [ '3.7', '3.8', '3.9', '3.10', '3.11' ] manylinux: [ 2014 ] plat: [ x86_64, arm64 ] @@ -186,8 +186,14 @@ jobs: exclude: - os: macos-11 parallel: mpi - - os: ubuntu-20.04 + - os: ubuntu-22.04 plat: arm64 + - os: macos-11 + plat: arm64 + - os: macos-12 + plat: x86_64 + - os: macos-12 + parallel: mpi fail-fast: false steps: @@ -236,7 +242,7 @@ jobs: delocate-wheel -k dist/*.whl - name: build wheels (macos-arm64) - if: startsWith(github.ref, 'refs/tags/') && matrix.os == 'macos-11' && matrix.plat == 'arm64' + if: startsWith(github.ref, 'refs/tags/') && matrix.os == 'macos-12' && matrix.plat == 'arm64' env: TAG_STRING: ${{ github.event.ref }} MACOSX_DEPLOYMENT_TARGET: '11.0' @@ -256,7 +262,7 @@ jobs: git clone https://github.com/Homebrew/brew arm-brew cd arm-brew && git checkout 3.6.16 && cd .. ./arm-brew/bin/brew update - OMPGZ=$(./arm-brew/bin/brew fetch --force --bottle-tag=arm64_big_sur libomp | grep "Downloaded to" | awk '{print $3}') + OMPGZ=$(./arm-brew/bin/brew fetch --force --bottle-tag=arm64_monterey libomp | grep "Downloaded to" | awk '{print $3}') ./arm-brew/bin/brew install ${OMPGZ} export OMPROOT=$(./arm-brew/bin/brew --prefix libomp) echo ${OMPROOT} @@ -270,7 +276,7 @@ jobs: delocate-wheel --require-archs=arm64 -k dist/*.whl - name: prepare build wheels (manylinux) - if: startsWith(github.ref, 'refs/tags/') && matrix.os == 'ubuntu-20.04' + if: startsWith(github.ref, 'refs/tags/') && matrix.os == 'ubuntu-22.04' env: TAG_STRING: ${{ github.event.ref }} run: | @@ -279,7 +285,7 @@ jobs: cp ./.github/actions/build-wheel/Dockerfile.manylinux${{ matrix.manylinux }} ./.github/actions/build-wheel/Dockerfile - name: build wheels (manylinux) - if: startsWith(github.ref, 'refs/tags/') && matrix.os == 'ubuntu-20.04' + if: startsWith(github.ref, 'refs/tags/') && matrix.os == 'ubuntu-22.04' uses: ./.github/actions/build-wheel with: python-version: ${{ matrix.python }} @@ -302,7 +308,7 @@ jobs: pypi: name: pypi needs: [build, test] - runs-on: ubuntu-20.04 + runs-on: ubuntu-22.04 if: startsWith(github.ref, 'refs/tags/') environment: name: github-pages @@ -367,7 +373,7 @@ jobs: publish: name: publish needs: [build, test] - runs-on: ubuntu-20.04 + runs-on: ubuntu-22.04 if: startsWith(github.ref, 'refs/tags/v') steps: - uses: actions/checkout@v3