Create construct.yaml #51
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| name: Installers | |
| on: | |
| push: | |
| paths: | |
| - 'installers/construct.yaml' | |
| jobs: | |
| build-installers: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| cfg: | |
| - runs-on: ubuntu-latest | |
| platform: linux-64 | |
| formal_platform: "Linux-x86_64" | |
| python-version: 3.8 | |
| - runs-on: ubuntu-latest | |
| platform: linux-64 | |
| formal_platform: "Linux-x86_64" | |
| python-version: 3.9 | |
| - runs-on: ubuntu-latest | |
| platform: linux-64 | |
| formal_platform: "Linux-x86_64" | |
| python-version: '3.10' | |
| - runs-on: ubuntu-latest | |
| platform: linux-64 | |
| formal_platform: "Linux-x86_64" | |
| python-version: '3.11' | |
| - runs-on: ubuntu-latest | |
| platform: linux-64 | |
| formal_platform: "Linux-x86_64" | |
| python-version: '3.12' | |
| ######################### | |
| - runs-on: macos-latest | |
| platform: osx-arm64 | |
| formal_platform: "MacOSX-arm64" | |
| python-version: '3.8' | |
| - runs-on: macos-latest | |
| platform: osx-arm64 | |
| formal_platform: "MacOSX-arm64" | |
| python-version: '3.9' | |
| - runs-on: macos-latest | |
| platform: osx-arm64 | |
| formal_platform: "MacOSX-arm64" | |
| python-version: '3.10' | |
| - runs-on: macos-latest | |
| platform: osx-arm64 | |
| formal_platform: "MacOSX-arm64" | |
| python-version: '3.11' | |
| - runs-on: macos-latest | |
| platform: osx-arm64 | |
| formal_platform: "MacOSX-arm64" | |
| python-version: '3.12' | |
| ######################### | |
| - runs-on: macos-latest | |
| platform: osx-64 | |
| formal_platform: "MacOSX-x86_64" | |
| python-version: 3.8 | |
| - runs-on: macos-latest | |
| platform: osx-64 | |
| formal_platform: "MacOSX-x86_64" | |
| python-version: 3.9 | |
| - runs-on: macos-latest | |
| platform: osx-64 | |
| formal_platform: "MacOSX-x86_64" | |
| python-version: '3.10' | |
| - runs-on: macos-latest | |
| platform: osx-64 | |
| formal_platform: "MacOSX-x86_64" | |
| python-version: '3.11' | |
| - runs-on: macos-latest | |
| platform: osx-64 | |
| formal_platform: "MacOSX-x86_64" | |
| python-version: '3.12' | |
| ######################### | |
| - runs-on: windows-latest | |
| platform: win-64 | |
| formal_platform: "Windows-x86_64" | |
| python-version: '3.8' | |
| - runs-on: windows-latest | |
| platform: win-64 | |
| formal_platform: "Windows-x86_64" | |
| python-version: '3.9' | |
| - runs-on: windows-latest | |
| platform: win-64 | |
| formal_platform: "Windows-x86_64" | |
| python-version: '3.10' | |
| - runs-on: windows-latest | |
| platform: win-64 | |
| formal_platform: "Windows-x86_64" | |
| python-version: '3.11' | |
| - runs-on: windows-latest | |
| platform: win-64 | |
| formal_platform: "Windows-x86_64" | |
| python-version: '3.12' | |
| env: | |
| PLATFORM: ${{ matrix.cfg.platform }} | |
| PYVER: ${{ matrix.cfg.python-version }} | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| runs-on: ${{ matrix.cfg.runs-on }} | |
| name: "🐍 ${{ matrix.cfg.python-version }} • ${{ matrix.cfg.platform }}" | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Create Conda Environment | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| show-channel-urls: true | |
| - name: Environment Information | |
| run: | | |
| conda install -y -q -c conda-forge constructor jinja2 curl libarchive #conda-standalone | |
| conda env list | |
| conda list | |
| - name: Prepare construct.yaml | |
| run: | | |
| cd installers/ | |
| sed -i.bak 's/{% set python = "3.8" %}/{% set python = "${{ env.PYVER }}" %}/g' construct.yaml | |
| sed -i.bak 's/{% set platform = "xxx" %}/{% set platform = "${{ matrix.cfg.formal_platform }}" %}/g' construct.yaml | |
| if [[ "${{ matrix.cfg.python-version }}" == 3.12 ]]; then | |
| sed -i.bak 's/- dftd4-python/#- dftd4-python/g' construct.yaml | |
| fi | |
| if [[ "${{ matrix.cfg.platform }}" == win-* ]]; then | |
| if [[ "${{ matrix.cfg.python-version }}" == 3.12 ]]; then | |
| sed -i.bak 's/- dftd3-python/#- dftd3-python/g' construct.yaml | |
| fi | |
| fi | |
| - name: Build Installer | |
| run: | | |
| cd installers/ | |
| if [[ "${{ matrix.cfg.platform }}" != win-* ]]; then | |
| MICROMAMBA_VERSION=1.3.1 | |
| MICROMAMBA_BUILD=0 | |
| #mkdir "${TEMP_DIR}/micromamba" | |
| #pushd "${TEMP_DIR}/micromamba" | |
| curl -L -O "https://anaconda.org/conda-forge/micromamba/${MICROMAMBA_VERSION}/download/${{ matrix.cfg.platform }}/micromamba-${MICROMAMBA_VERSION}-${MICROMAMBA_BUILD}.tar.bz2" | |
| bsdtar -xf "micromamba-${MICROMAMBA_VERSION}-${MICROMAMBA_BUILD}.tar.bz2" | |
| if [[ "${{ matrix.cfg.platform }}" == win-* ]]; then | |
| MICROMAMBA_FILE="${PWD}/Library/bin/micromamba.exe" | |
| else | |
| MICROMAMBA_FILE="${PWD}/bin/micromamba" | |
| fi | |
| #popd | |
| EXTRA_CONSTRUCTOR_ARGS="${EXTRA_CONSTRUCTOR_ARGS} --conda-exe ${MICROMAMBA_FILE}" # --platform ${TARGET_PLATFORM}" | |
| fi | |
| #if [[ "${{ runner.os }}" == "Windows" ]]; then | |
| # CONDAEXE_FILE="C:\Miniconda\Scripts\conda.exe" | |
| # #CONDAEXE_FILE="${CONDA_PREFIX}/Library/bin/conda.exe" | |
| #elif [[ "${{ runner.os }}" == "Linux" ]]; then | |
| # CONDAEXE_FILE="/usr/share/miniconda/condabin/conda" | |
| #elif [[ "${{ runner.os }}" == "macOS" ]]; then | |
| # CONDAEXE_FILE="/usr/local/miniconda/condabin/conda" | |
| # #CONDAEXE_FILE="${CONDA_PREFIX}/bin/conda" | |
| #fi | |
| constructor --platform ${{ matrix.cfg.platform }} ${EXTRA_CONSTRUCTOR_ARGS} ##--conda-exe ${CONDAEXE_FILE} | |
| echo "ARTIFACT=`ls -1 Psi4conda*`" >> $GITHUB_ENV | |
| - name: Archive Psi4Conda Installer | |
| uses: actions/upload-artifact@v3 | |
| with: | |
| if-no-files-found: error | |
| name: ${{ env.PLATFORM }}-${{ env.PYVER }} | |
| path: installers/${{ env.ARTIFACT }} | |
| retention-days: 1 | |
| - name: Install Installer | |
| if: matrix.cfg.platform != 'osx-arm64' | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| installer-url: file://${{ github.workspace }}/installers/${{ env.ARTIFACT }} | |
| auto-activate-base: true | |
| activate-environment: "" | |
| - name: Test Installer | |
| if: matrix.cfg.platform != 'osx-arm64' | |
| run: | | |
| conda info | |
| conda list | |
| which conda python psi4 | |
| psi4 --version | |
| if [[ "${{ runner.os }}" == "Windows" ]]; then | |
| psi4 --test=smoke_not_d2ints -n2 | |
| else | |
| psi4 --test -n2 | |
| fi | |