update to InChI 1.07-RC4 #45
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| 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: | |
| - name: Setup emsdk | |
| uses: mymindstorm/setup-emsdk@v13 | |
| 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 v1.06 from InChI repository | |
| uses: actions/checkout@v4 | |
| with: | |
| path: './InChI_1_06' | |
| repository: 'IUPAC-InChI/InChI' | |
| ref: 'v1.06' | |
| - name: Checkout v1.07 from InChI repository | |
| uses: actions/checkout@v4 | |
| with: | |
| path: './InChI_1_07' | |
| repository: 'IUPAC-InChI/InChI' | |
| ref: 'v1.07-RC4' | |
| # | |
| # Compile v1.06's INCHI_EXE and run the test suite | |
| # | |
| - 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 v1.06 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 -f makefile INCHI_WEB_NAME=inchi-web106 MODULE_NAME=inchiModule106 | |
| # | |
| # Build InChI v1.07 WASM module | |
| # | |
| - name: Compile InChI_1_07 WebAssembly module (INCHI_WEB) | |
| # Creates inchi-web107.js and inchi-web107.wasm in $GITHUB_WORKSPACE/InChI_1_07/INCHI-1-SRC/INCHI_WEB | |
| run: | | |
| cd $GITHUB_WORKSPACE/InChI_1_07/INCHI-1-SRC | |
| cp -R $GITHUB_WORKSPACE/InChI-Web-Demo/inchi/INCHI_WEB . | |
| cd INCHI_WEB | |
| make -j -f makefile INCHI_WEB_NAME=inchi-web107 MODULE_NAME=inchiModule107 | |
| # | |
| # 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 | |
| # | |
| # Bootstrap Multiselect | |
| # | |
| - name: Download Bootstrap Multiselect | |
| run: | | |
| cd $GITHUB_WORKSPACE | |
| wget -O bootstrap-multiselect.zip https://github.com/davidstutz/bootstrap-multiselect/archive/refs/tags/v1.1.2.zip | |
| unzip bootstrap-multiselect.zip -d bootstrap-multiselect | |
| # | |
| # JQuery | |
| # | |
| - name: Download JQuery | |
| run: | | |
| cd $GITHUB_WORKSPACE | |
| wget -P jquery https://code.jquery.com/jquery-3.7.1.min.js | |
| # | |
| # 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 | |
| cp $GITHUB_WORKSPACE/InChI_1_07/INCHI-1-SRC/INCHI_WEB/inchi-web107.* 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 . | |
| cp -R $GITHUB_WORKSPACE/bootstrap-multiselect/bootstrap-multiselect-*/dist bootstrap-multiselect | |
| cp -R $GITHUB_WORKSPACE/jquery . | |
| - 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@v4 |