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use python3.8, skip it rmgmolecule or rmg are installed
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deps/build.jl

Lines changed: 6 additions & 12 deletions
Original file line numberDiff line numberDiff line change
@@ -1,22 +1,16 @@
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using PyCall
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if PyCall.pyversion.major != 3 || PyCall.pyversion.minor != 7
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using Conda
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using Conda
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packages = Conda._installed_packages()
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if !("rmg" in packages) && !("rmgmolecule" in packages) && (PyCall.pyversion.major != 3 || PyCall.pyversion.minor != 8)
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const Pkg = Base.require(Base.PkgId(Base.UUID("44cfe95a-1eb2-52ea-b672-e2afdf69b78f"), "Pkg"))
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Conda.rm("mamba")
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Conda.add("conda=4")
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Conda.add("mamba")
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Conda.update()
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Conda.add("python=3.7")
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Conda.add("python=3.8")
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try
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Conda.rm("numpy") #get around MKL problem
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catch e
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end
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Conda.add("nomkl")
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Conda.add("numpy")
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packages = Conda._installed_packages()
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if !("rmg" in packages) && !("rmgmolecule" in packages) #if rmg and rmgmolecule not present install molecule
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Conda.add_channel("hwpang")
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Conda.add("rmgmolecule")
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end
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Conda.add_channel("hwpang")
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Conda.add("rmgmolecule")
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Pkg.build("PyCall")
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end

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