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using CondaPkg
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using PythonCall
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packages = keys (CondaPkg. current_packages ())
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- if ! (" rmg" in packages) && ! (" rmgmolecule" in packages) || ! (v " 3.7" <= PythonCall. C. python_version () && PythonCall. C. python_version () <= v " 3.9" )
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- const Pkg = Base. require (Base. PkgId (Base. UUID (" 44cfe95a-1eb2-52ea-b672-e2afdf69b78f" ), " Pkg" ))
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+ if ! (" rmg" in packages) && ! (" rmgmolecule" in packages)
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+ CondaPkg. add (" rmgmolecule" ; version= " >=0.3.0" , channel= " mjohnson541" )
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+ end
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+ if ! (v " 3.7" <= PythonCall. C. python_version () && PythonCall. C. python_version () <= v " 3.9" )
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CondaPkg. add (" python" ; version= " 3.9" )
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+ end
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+ if ! (" matplotlib" in packages)
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CondaPkg. add (" matplotlib" )
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+ end
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+ if ! (" rdkit" in packages)
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CondaPkg. add (" rdkit" )
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+ end
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+ if ! (" pydot" in packages)
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CondaPkg. add (" pydot" )
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- CondaPkg . add ( " rmgmolecule " ; version = " >=0.3.0 " , channel = " mjohnson541 " )
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- Pkg . build ( " PythonCall " )
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- end
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+ end
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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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