ci.yml

name: Test WASM build, prepare web application and deploy to GitHub Pages

on:
  push:
    branches: ["main"]
  workflow_dispatch:

permissions:
  contents: read
  pages: write
  id-token: write

concurrency:
  group: "pages"
  cancel-in-progress: true

jobs:
  test_and_deploy:
    environment:
      name: github-pages
      url: ${{ steps.deployment.outputs.page_url }}
    runs-on: ubuntu-latest
    steps:
      #
      # Compile INCHI_EXE and run the test suite
      #
      - name: Setup emsdk
        uses: mymindstorm/setup-emsdk@v14
        with:
          version: 3.1.43
          actions-cache-folder: 'emsdk-cache'

      - name: Verify emsdk
        run: |
          emcc -v

      - name: Verify Node.js version
        run: |
          node -v

      - name: Checkout this repository
        uses: actions/checkout@v4
        with:
          path: './InChI-Web-Demo'

      - name: Checkout InChI 1.0.6 repository
        uses: actions/checkout@v4
        with:
          path: './InChI_1_06'
          repository: 'IUPAC-InChI/InChI_1_06'

      - name: Patch InChI_1_06's util.c
        run: |
          cd $GITHUB_WORKSPACE/InChI_1_06
          git apply $GITHUB_WORKSPACE/InChI-Web-Demo/inchi/util.c.patch

      - name: Compile InChI_1_06's INCHI_EXE
        # Creates inchi-1.js and inchi-1.wasm in $GITHUB_WORKSPACE/InChI_1_06/INCHI-1-SRC/INCHI_EXE/bin/wasm
        run: |
          cd $GITHUB_WORKSPACE/InChI_1_06/INCHI-1-SRC/INCHI_EXE/inchi-1/gcc
          mkdir -p ../../bin/wasm
          make -j C_COMPILER=emcc CPP_COMPILER=em++ LINKER=em++ LINKER_OPTIONS="-lnodefs.js -lnoderawfs.js -sSTACK_SIZE=1048576" BIN_DIR=../../bin/wasm INCHI_EXECUTABLE_NAME=inchi-1.js

      - name: Prepare InChI_1_06's tests
        run: |
          cd $GITHUB_WORKSPACE/InChI_1_06/INCHI-1-TEST/test
          unzip test-datasets.zip -d test-datasets
          unzip test-results.zip -d expected-test-results
          cp $GITHUB_WORKSPACE/InChI-Web-Demo/inchi/INCHI-1-TEST/inchify_*.sh .

      - name: Run InChI_1_06's tests and compare test results with expected results
        run: |
          cd $GITHUB_WORKSPACE/InChI_1_06/INCHI-1-TEST/test
          ./inchify_InChI_TestSet.sh "node ../../INCHI-1-SRC/INCHI_EXE/bin/wasm/inchi-1.js" test-datasets test-results test-logs
          ./inchify_zzp.sh "node ../../INCHI-1-SRC/INCHI_EXE/bin/wasm/inchi-1.js" test-datasets test-results test-logs
          diff -q --strip-trailing-cr test-results/ expected-test-results/ && echo "Tests are OK!"

      #
      # Build InChI WASM module
      #
      - name: Compile InChI_1_06 WebAssembly module (INCHI_WEB)
        # Creates inchi-web106.js and inchi-web106.wasm in $GITHUB_WORKSPACE/InChI_1_06/INCHI-1-SRC/INCHI_WEB
        run: |
          cd $GITHUB_WORKSPACE/InChI_1_06/INCHI-1-SRC
          cp -R $GITHUB_WORKSPACE/InChI-Web-Demo/inchi/INCHI_WEB .
          cd INCHI_WEB
          make -j INCHI_WEB_NAME=inchi-web106 MODULE_NAME=inchiModule106

      #
      # Build RInChI WASM module
      #
      - name: Checkout RInChI repository
        uses: actions/checkout@v4
        with:
          path: './RInChI'
          repository: 'IUPAC-InChI/RInChI'

      - name: Patch RInChI project
        run: |
          cd $GITHUB_WORKSPACE/RInChI
          git apply $GITHUB_WORKSPACE/InChI-Web-Demo/rinchi/rinchi.patch

      - name: Compile RInChI WebAssembly module from rinchi_lib
        # Creates librinchi-100.js and librinchi-100.wasm in $GITHUB_WORKSPACE/RInChI/src/rinchi_lib
        run: |
          cd $GITHUB_WORKSPACE/RInChI/src/rinchi_lib
          make -j -f Makefile-32bit

      #
      # Build Ketcher
      #
      - name: Setup Node.js
        uses: actions/setup-node@v4
        with:
          node-version: 20
          cache: 'yarn'
          cache-dependency-path: ${{github.workspace}}/InChI-Web-Demo/ketcher/react-app/yarn.lock

      - name: Verify Node.js version
        run: |
          node -v

      - name: Build Ketcher React App
        # creates build directoy in $GITHUB_WORKSPACE/InChI-Web-Demo/ketcher/react-app
        run: |
          cd $GITHUB_WORKSPACE/InChI-Web-Demo/ketcher/react-app
          yarn install --frozen-lockfile
          yarn run build

      #
      # Bootstrap
      #
      - name: Download Bootstrap
        run: |
          cd $GITHUB_WORKSPACE
          wget https://github.com/twbs/bootstrap/releases/download/v5.2.3/bootstrap-5.2.3-dist.zip
          wget https://github.com/twbs/icons/releases/download/v1.10.3/bootstrap-icons-1.10.3.zip
          unzip bootstrap-5.2.3-dist.zip -d bootstrap
          unzip bootstrap-icons-1.10.3.zip -d bootstrap-icons

      #
      # GitHub pages deployment
      #
      - name: Collect artifacts for deployment
        run: |
          cd $GITHUB_WORKSPACE
          cp -R $GITHUB_WORKSPACE/InChI-Web-Demo/pages .
          cd pages
          mkdir inchi
          cp $GITHUB_WORKSPACE/InChI_1_06/INCHI-1-SRC/INCHI_WEB/inchi-web106.* inchi
          mkdir rinchi
          cp $GITHUB_WORKSPACE/RInChI/src/rinchi_lib/librinchi-100.* rinchi
          mkdir ketcher
          cp -R $GITHUB_WORKSPACE/InChI-Web-Demo/ketcher/react-app/build/* ketcher
          cp -R $GITHUB_WORKSPACE/bootstrap .
          cp -R $GITHUB_WORKSPACE/bootstrap-icons .

      - name: Setup Pages
        uses: actions/configure-pages@v4

      - name: Upload artifact
        uses: actions/upload-pages-artifact@v3
        with:
          path: ${{github.workspace}}/pages

      - name: Deploy to GitHub Pages
        id: deployment
        uses: actions/deploy-pages@v1