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hklemorbeckst
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Apply suggestions from code review
Co-authored-by: Oliver Beckstein <orbeckst@gmail.com>
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mdakits/QMzyme/metadata.yaml

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# TEMPLATE MDAKit file
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# --------------------
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#
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# Please replace ALL entries with appropriate content for YOUR MDAKit.
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# Below we use the placeholder GH_HOST_ACCOUNT for the GitHub account where
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# the source code repository is held, typically your username or the
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# organization that you're part off.
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# MYPROJECT is the name of your project (the repository name and here
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# we assume that this is also the PyPi/conda package name) whereas
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# MYPACKAGE is how you import it in python.
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#
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# See https://mdakits.mdanalysis.org/add.html for more information.
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#
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# QMzyme MDAKit
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# -------------
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#
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#------------------------------------------------------------
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# Required entries
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#------------------------------------------------------------
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## List(str): a list of commands to use when installing the mdakit from its
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## source code.
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src_install:
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- conda create -n qmzyme -y python=3.11
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- conda activate qmzyme
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- pip install git+https://github.com/Klem-Research-Group/QMzyme@main
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## str: the package name used to import the mdakit

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