Check and test ChEBI updates #107
Workflow file for this run
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| name: chebi | |
| on: | |
| workflow_dispatch: | |
| pull_request: # tests whether it is working on PR | |
| paths: | |
| - '.`/workflows/chebi.yml' | |
| schedule: | |
| - cron: "0 0 1,15 * *" # Run the workflow on the 1st and 15th day of each month | |
| permissions: | |
| contents: write | |
| pages: write | |
| id-token: write | |
| jobs: | |
| check_new_release: | |
| runs-on: ubuntu-latest | |
| name: Check latest release date | |
| outputs: | |
| RELEASE_NUMBER: ${{ steps.check_download.outputs.RELEASE_NUMBER }} | |
| NEW_RELEASE: ${{ steps.check_download.outputs.NEW_RELEASE }} | |
| steps: | |
| # checkout the repository | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| # check the release date for the latest ChEBI release | |
| - name: Check for new ChEBI release | |
| id: check_download | |
| run: | | |
| ## Read config | |
| . datasources/chebi/config . | |
| echo 'Accessing the ChEBI archive' | |
| wget https://ftp.ebi.ac.uk/pub/databases/chebi/archive/ -O chebi_index.html | |
| ## Check date for last element in index | |
| ##Extract the date from the latest release (up to the day) | |
| date_new=$(tail -4 chebi_index.html | head -1 | grep -oP '<td align="right">\K[0-9-]+\s[0-9:]+(?=\s+</td>)' | awk '{print $1}') | |
| release=$(tail -4 chebi_index.html | head -1 | grep -oP '(?<=a href="rel)\d\d\d') | |
| #https://docs.github.com/en/actions/using-workflows/workflow-commands-for-github-actions#setting-an-output-parameter | |
| echo "RELEASE_NUMBER=$release" >> $GITHUB_OUTPUT | |
| ##Extract the date from the ChEBI README file | |
| date_old=$date | |
| ##Compare the dates and set variable if date_new is more recent | |
| timestamp1=$(date -d "$date_new" +%s) | |
| timestamp2=$(date -d "$date_old" +%s) | |
| if [ "$timestamp1" -gt "$timestamp2" ]; then | |
| echo 'New release available', "$release" | |
| echo "NEW_RELEASE=true" >> $GITHUB_OUTPUT | |
| else | |
| echo 'No new release available' | |
| fi | |
| echo "Date of latest release: $date_new", "Date of release of the current version: $date_old" | |
| ##Clean up | |
| rm chebi_index.html | |
| test_sdf_processing: | |
| name: Test release | |
| if: needs.check_new_release.outputs.NEW_RELEASE | |
| needs: check_new_release | |
| env: | |
| RELEASE_NUMBER: ${{ needs.check_new_release.outputs.RELEASE_NUMBER }} | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout repository | |
| uses: actions/checkout@v4 | |
| - name: Download SDF for new release | |
| run: | | |
| ##Download ChEBI SDF file | |
| echo $RELEASE_NUMBER | |
| wget "https://ftp.ebi.ac.uk/pub/databases/chebi/archive/rel${RELEASE_NUMBER}/SDF/ChEBI_complete_3star.sdf.gz" | |
| ##Unzip gz file: | |
| gunzip ChEBI_complete_3star.sdf.gz #TODO replace by config var | |
| ##Check file size if available | |
| ls | |
| ##Print file size | |
| # Set up zenodo_file_id and file_name variables from config file | |
| chmod +x datasources/chebi/config | |
| datasources/chebi/config . | |
| ##Create temp. folder to store the data in | |
| mkdir -p mapping_preprocessing/datasources/chebi/data | |
| # step 4: run the Java .jar for ChEBI preprocessing | |
| - name: Set up Java | |
| uses: actions/setup-java@v2 | |
| with: | |
| java-version: '11' | |
| distribution: 'adopt' | |
| # Download current version from Zenodo | |
| - name: Download current mapping file from Zenodo | |
| id: download | |
| env: | |
| zenodo_token: ${{ secrets.ZENODO }} | |
| run: | | |
| # Set up zenodo_file_id and file_name variables from config file | |
| chmod +x datasources/chebi/config | |
| datasources/chebi/config . | |
| file_name=$to_check_from_zenodo | |
| echo file name: $file_name | |
| echo 'Dowloading from: https://zenodo.org/api/files/${zenodo_file_id}/${file_name}' | |
| # Request Zenodo API to download the file | |
| curl -H "Authorization: Bearer $zenodo_token" -LJO 'https://zenodo.org/api/files/${zenodo_file_id}/${file_name}' | |
| - name: Test SDF processing | |
| id: sdf_process | |
| run: | | |
| inputFile="ChEBI_complete_3star.sdf" | |
| outputDir="new/ChEBI_complete_3star.sdf" | |
| # Run Java program and capture its exit code | |
| java -cp target/mapping_prerocessing-0.0.1-jar-with-dependencies.jar org.sec2pri.chebi_sdf "$inputFile" "$outputDir" | |
| # Check the exit status of the Java program | |
| if [ $? -eq 0 ]; then | |
| # Java program succeeded | |
| echo "Java preprocessing of ChEBI data is done." | |
| echo "FAILED=false" >> $GITHUB_ENV | |
| else | |
| # Java program failed | |
| echo "Java preprocessing of ChEBI data failed." | |
| echo "FAILED=true" >> $GITHUB_ENV | |
| fi | |
| - name: Diff versions | |
| if: | |
| env.FAILED == false | |
| run: | | |
| old=$filename" | |
| new="new/$filename" | |
| column_name="secondaryID" | |
| # Extract the secondaryID column from both files and sort them | |
| ids_old=$(cut -f 2 "$old" | sort | tr -d "\r") | |
| ids_new=$(cut -f 2 "$new" | sort | tr -d "\r") | |
| # Perform a diff between the sorted lists of secondaryIDs | |
| diff_ENV=$(diff -u <(echo "$ids_old") <(echo "$ids_new")) | |
| # Store the output | |
| output_file="diff_ENV.txt" | |
| # Additions | |
| ADDED=$(grep '^+CHEBI' "$output_file") | |
| #TODO echo "added=$ADDED" to job output | |
| # Removals | |
| REMOVED=$(grep '^-CHEBI' "$output_file") | |
| echo $REMOVED > removed.txt | |
| echo $ADDED > added.txt | |
| - id: post_issue_new | |
| name: Post issue for new release availability | |
| run: | | |
| echo "---" >> issue.md | |
| echo "title: Update ChEBI - release on $DATE_NEW }}" >> issue.md | |
| echo "assignees: @tabbassidaloii" >> issue.md | |
| echo "---" >> issue.md | |
| echo "[New release for ChEBI](https://ftp.ebi.ac.uk/pub/databases/chebi/archive/rel$RELEASE/SDF/) available from $DATE_NEW." >> issue.md | |
| echo ## Removed secondary IDs | |
| echo "```" | |
| cat removed.txt | |
| echo "```" | |
| echo ## Added secondary IDs | |
| echo "```" | |
| cat added.txt | |
| echo "```" | |
| - uses: JasonEtco/create-an-issue@v2 | |
| env: | |
| GITHUB_TOKEN: secrets.GITHUB_TOKEN }} | |
| with: | |
| filename: issue.md | |
| - name: Create issue about failing test | |
| if: env.FAILED == true | |
| env: | |
| RELEASE_NUMBER: ${{ needs.check_new_release.outputs.RELEASE_NUMBER }} | |
| run: | | |
| echo "---" >> issue.md | |
| echo "title: Failed ChEBI processing for release $RELEASE" >> issue.md | |
| echo "assignees: @tabbassidaloii" >> issue.md | |
| echo "---" >> issue.md | |
| echo "Processing failed for the [new release for ChEBI](https://ftp.ebi.ac.uk/pub/databases/chebi/archive/rel$RELEASE_NUMBER/SDF/) available." >> issue.md | |
| - uses: JasonEtco/create-an-issue@v2 | |
| env: | |
| GITHUB_TOKEN: secrets.GITHUB_TOKEN }} | |
| with: | |
| filename: issue.md |