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feat: support RGROUPS in Molfile V3000 #630

feat: support RGROUPS in Molfile V3000

feat: support RGROUPS in Molfile V3000 #630

Workflow file for this run

name: Node.js CI
on:
push:
branches:
- main
pull_request:
env:
NODE_VERSION_INTEGRATION: 24.x
jobs:
lint:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v6
- uses: actions/setup-node@v6
with:
node-version: 24.x
- name: Install dependencies
run: npm ci
- name: Check types
run: npm run check-types
- name: Run ESLint
run: npm run eslint
- name: Run Prettier
run: npm run prettier
test:
runs-on: ubuntu-latest
strategy:
matrix:
node-version: [20.x, 22.x, 24.x]
fail-fast: false
steps:
- uses: actions/checkout@v6
- uses: actions/setup-java@v5
with:
distribution: 'temurin'
java-version: '21'
- name: Install GWT
run: ./scripts/get-gwt.sh
- name: Use Node.js ${{ matrix.node-version }}
uses: actions/setup-node@v6
with:
node-version: ${{ matrix.node-version }}
- name: Install dependencies
run: npm ci
- name: Build OCL
run: npm run build
- name: Run tests
run: npm run test-only
- name: Upload build to test integration with openchemlib-utils
if: matrix.node-version == env.NODE_VERSION_INTEGRATION
uses: actions/upload-artifact@v6
with:
name: build-integration
path: dist
- name: Run debug build
if: failure()
run: npm run build-java-debug-verbose
- name: Upload debug build and logs
if: failure()
uses: actions/upload-artifact@v6
with:
name: debug-build-${{ matrix.node-version }}
path: |
lib/java/openchemlib.debug.js
compile.debug.log
retention-days: 1
utils-integration:
name: Integration with openchemlib-utils
needs: test
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v6
with:
repository: 'cheminfo/openchemlib-utils'
- name: Use Node.js ${{ env.NODE_VERSION_INTEGRATION }}
uses: actions/setup-node@v6
with:
node-version: ${{ env.NODE_VERSION_INTEGRATION }}
- name: Install dependencies
run: npm install
- name: Download OCL build
uses: actions/download-artifact@v7
with:
name: build-integration
path: ocl-dist
- name: Replace OCL build in the dependencies
run: 'cp -r ocl-dist/* node_modules/openchemlib/dist/'
- name: Run unit tests
run: npm run test-only