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using CondaPkg
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using PythonCall
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+ using Logging
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packages = keys (CondaPkg. current_packages ())
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- if ! (" rmg" in packages) && ! (" rmgmolecule" in packages)
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+ @info " found packages $packages in CondaPkg"
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+ if ! (" rmg" in packages) && ! (" rmgmolecule" in packages)
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+ @info " missing rmg and rmgmolecule installing them"
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if ! (v " 3.7" <= PythonCall. C. python_version () && PythonCall. C. python_version () <= v " 3.9" )
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+ @info " python version was not in 3.7-3.9 changing python version"
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CondaPkg. add (" python" ; version= " 3.9" )
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end
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CondaPkg. add (" rmgmolecule" ; version= " >=0.3.0" , channel= " mjohnson541" )
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CondaPkg. add (" matplotlib" , channel= " conda-forge" )
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CondaPkg. add (" rdkit" , channel= " conda-forge" )
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CondaPkg. add (" pydot" , channel= " conda-forge" )
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end
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-
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+ @info " building PythonCall "
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const Pkg = Base. require (Base. PkgId (Base. UUID (" 44cfe95a-1eb2-52ea-b672-e2afdf69b78f" ), " Pkg" ))
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Pkg. build (" PythonCall" )
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