<tool id="cif2cell" name="cif2cell" version="@TOOL_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05" license="MIT">
    <description>convert .cif file to .cell</description>
    <macros>
        <!-- version of underlying tool (PEP 440) -->
        <token name="@TOOL_VERSION@">2.0.0a3</token>
        <!-- version of this tool wrapper (integer) -->
        <token name="@WRAPPER_VERSION@">1</token>
    </macros>
    <creator>
        <person givenName="Anish" familyName="Mudaraddi" identifier="https://orcid.org/0000-0002-2135-2705"/>
        <person givenName="Eli" familyName="Chadwick" url="https://github.com/elichad" identifier="https://orcid.org/0000-0002-0035-6475"/>
        <organization url="https://muon-spectroscopy-computational-project.github.io/index.html" name="The Muon Spectroscopy Computational Project"/>
    </creator>
    <requirements>
        <requirement type="package" version="2.0.0a3">cif2cell</requirement>
    </requirements>
    <command detect_errors="exit_code"><![CDATA[
        file_name=\$(sed 's/ //g' <<< '$file.name') &&
        ln -s '$file' \$file_name &&
        cif2cell -f \$file_name -p castep -o out.cell
    ]]></command>
    <inputs>
        <param type="data" argument="--file" format="cif" label="Structure file to Convert (.cif)" />
    </inputs>
    <outputs>
        <data label="Conversion of $file.name to .cell" name="out_cell" format="cell" from_work_dir="out.cell" />
    </outputs>
    <tests>
        <test expect_num_outputs="1">
            <param name="file" value="Si.cif" ftype="cif" />
            <output name="out_cell" file="Si_out.cell" compare="diff" lines_diff="2" ftype="cell" />
        </test>
        <test expect_num_outputs="1">
            <param name="file" value="diamond.cif" ftype="cif" />
            <output name="out_cell" file="diamond_out.cell" compare="diff" lines_diff="2" ftype="cell" />
        </test>
    </tests>
    <help><![CDATA[
        usage: cif2cell -f file.cif -p castep -o file.cell

        Given an input .cif structure file, convert to equivalent .cell structure file.
        Uses electronic structure program 'castep'

        cif2cell is distributed under the GPLv3 license. This tool wrapper is distributed under the MIT license.
    ]]></help>
    <citations>
        <citation type="doi">10.1016/j.cpc.2011.01.013</citation>
    </citations>
</tool>