@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix obi: <http://purl.obolibrary.org/obo/OBI_> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/https://doi.org/10.18419/DARUS-4716> a dcat:Dataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus" ;
            dct:title "DCAT-AP-PLUS" ] ;
    dct:creator [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Keim" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Class" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Fiona" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Weiß" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Kai" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Holger" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Leon" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Wendel" ] ;
    dct:description """<p>This dataset contains a Docker image that provides a complete computational environment for reproducing the numerical calculations presented in our manuscript. The image includes pre-built installations of DuMuX and Reaktoro, configured to run our specific simulation cases.</p>

<h4>Contents</h4>
<ul>
    <li><code>docker_image_paper_reviewer.tar</code> (8.8 GB): Docker image containing the full computational environment</li>
</ul>


<h4>Running Simulations and Data Transfer</h4>
<ol>
    <li>Create and prepare the output directory:
        <pre><code>mkdir output</code></pre>
        <pre><code>chmod 777 output</code></pre>
    </li>
    <li>Load the image into Docker:
        <pre><code>docker load < docker_image_paper_reviewer.tar</code></pre>
    </li>
    <li>Run the container with mounted output directory:
        <pre><code>docker run -itv ./output:/home/reviewer/output reviewer_docker_new</code></pre>
    </li>
    <li>To detach from the container without stopping it:
        <br>Press <code>Ctrl+P</code> followed by <code>Ctrl+Q</code>
    </li>
    <li>To reenter a detached container:
        <pre><code>docker ps</code></pre>
        Find your container ID, then:
        <pre><code>docker attach CONTAINER_ID</code></pre>
    </li>
    <li>Inside the container, run the DuMuX simulation:
        <pre><code>cd ${DUMUX_BATCH_DIR}/build-cmake/test/reaction_rate/</code></pre>
        <pre><code>./test_ReactionRate</code></pre>
    </li>
    <li>Run the Reaktoro simulations:
        <pre><code>cd ${REAKTORO_BATCH_DIR}/build</code></pre>
        <pre><code>./calcite_dissolution_corrected</code></pre>
        <pre><code>./calcite_dissolution_palandri_kharaka</code></pre>
    </li>
    <li>Copy results to the mounted output directory:
        <pre><code>cd ${DUMUX_BATCH_DIR}/build-cmake/test/reaction_rate/</code></pre>
        <pre><code>cp dumux-corrected.csv ${OUTPUT_DIR}/</code></pre>
        <pre><code>cd ${REAKTORO_BATCH_DIR}/build</code></pre>
        <pre><code>cp reaktoro-palandri-kharaka.csv ${OUTPUT_DIR}/</code></pre>
        <pre><code>cp reaktoro-corrected.csv ${OUTPUT_DIR}/</code></pre>
    </li>
    <li>Exit the container:
        <br>Type <code>exit</code> or press <code>Ctrl+D</code>
    </li>
    <li>The results are now available in your local './output' directory</li>
</ol>

<h4>Security Notice</h4>
<p>This Docker container requires elevated privileges to run. While we ensure no malicious content is included, as with any third-party software requiring elevated privileges, users should exercise appropriate caution. For maximum security, users can alternatively build the environment themselves using our publicly available Dockerfile and installation instructions at: <a href="https://git.iws.uni-stuttgart.de/dumux-pub/weis2024a">Git Repository</a></p>

<h4>Alternative Installation</h4>
<p>For users who prefer to build the environment manually or cannot use the provided Docker image, please refer to our <a href="https://git.iws.uni-stuttgart.de/dumux-pub/weis2024a">Git Repository</a> which contains:</p>
<ul>
    <li>Source Code of Simulations</li>
    <li>Complete Dockerfile</li>
    <li>Manual installation instructions</li>
    <li>All necessary source code and configuration files</li>
</ul>""" ;
    dct:identifier "https://doi.org/https://doi.org/10.18419/DARUS-4716" ;
    dct:issued "2025-11-04"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-11-04"^^xsd:date ;
    dct:publisher [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ;
                    skos:prefLabel "Academia/Scientific organisation" ] ;
            foaf:name "DaRUS" ] ;
    dct:subject <https://doi.org/https://doi.org/10.18419/DARUS-4716#sample> ;
    dct:title "Replication Code for: Implementation Pitfalls for Carbonate Mineral Dissolution – a Technical Note" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "https://doi.org/10.18419/DARUS-4716" ],
        [ a adms:Identifier ;
            dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ;
            dct:title "Search Service ID" ;
            skos:notation "https://search.nfdi4chem.de/dataset/doi-10-18419-darus-4716" ] ;
    dcat:landingPage <https://doi.org/10.18419/DARUS-4716> ;
    prov:wasGeneratedBy <https://doi.org/https://doi.org/10.18419/DARUS-4716#measurement> .

obi:0000070 a schema1:DefinedTerm ;
    schema1:name "assay" .

<https://doi.org/10.18419/DARUS-4716> a foaf:Document .

<https://doi.org/https://doi.org/10.18419/DARUS-4716#measurement> a obi:0000070,
        prov:Activity ;
    prov:used <https://doi.org/https://doi.org/10.18419/DARUS-4716#sample> .

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    dct:hasPart <https://doi.org/https://doi.org/10.18419/DARUS-4716#sample_compound> ;
    dct:title "evaluated sample" .