Installers.yml

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