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asadasad
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Upgrade to Java 21, replace cdk-bundle with 16 individual CDK modules, bump SMSD to 5.8.1
- Java target 11 → 21 - SMSD 5.7.1 → 5.8.1 - Replaced fat cdk-bundle (200+ modules) with 16 individual CDK modules: cdk-core, cdk-interfaces, cdk-silent, cdk-data, cdk-io, cdk-ctab, cdk-smiles, cdk-smarts, cdk-isomorphism, cdk-fingerprint, cdk-atomtype, cdk-standard, cdk-sdg, cdk-signature, cdk-legacy, cdk-inchi - CI updated to Java 21 - All 163 tests pass - RDT version 3.5.0
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‎.github/workflows/maven-ci.yml‎

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@@ -13,10 +13,10 @@ jobs:
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steps:
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- uses: actions/checkout@v4
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- name: Set up JDK 11
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- name: Set up JDK 21
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uses: actions/setup-java@v4
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with:
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java-version: '11'
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java-version: '21'
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distribution: 'temurin'
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server-id: github
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settings-path: ${{ github.workspace }}

‎pom.xml‎

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<groupId>com.bioinceptionlabs</groupId>
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<artifactId>rdt</artifactId>
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<description>Reaction Decoder Tool</description>
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<version>3.4.1</version>
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<version>3.5.0</version>
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<packaging>jar</packaging>
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<properties>
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<jdk.version>11</jdk.version>
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<jdk.version>21</jdk.version>
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<project.build.sourceEncoding>UTF-8</project.build.sourceEncoding>
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<maven.compiler.source>11</maven.compiler.source>
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<maven.compiler.target>11</maven.compiler.target>
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<maven.compiler.source>21</maven.compiler.source>
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<maven.compiler.target>21</maven.compiler.target>
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<cdk.version>2.12</cdk.version>
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<mainClass>com.bioinceptionlabs.aamtool.ReactionDecoder</mainClass>
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</properties>
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<version>1.5.2</version>
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</dependency>
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<!-- CDK individual modules (replaces cdk-bundle fat jar) -->
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-bundle</artifactId>
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<version>2.12</version>
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<artifactId>cdk-core</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-interfaces</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-silent</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-data</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-io</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-ctab</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-smiles</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-smarts</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-isomorphism</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-fingerprint</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-atomtype</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-standard</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-sdg</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-signature</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-legacy</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>org.openscience.cdk</groupId>
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<artifactId>cdk-inchi</artifactId>
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<version>${cdk.version}</version>
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</dependency>
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<dependency>
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<groupId>com.bioinceptionlabs</groupId>
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<artifactId>smsd</artifactId>
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<version>5.7.1</version>
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<version>5.8.1</version>
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</dependency>
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<!-- https://mvnrepository.com/artifact/commons-cli/commons-cli -->

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