use new rmgmolecule builds

Author: mjohnson541

deps/build.jl

@@ -1,21 +1,16 @@
 using PyCall
 using Conda
 packages = Conda._installed_packages()
-if !("rmg" in packages) && !("rmgmolecule" in packages) && (PyCall.pyversion.major != 3 || PyCall.pyversion.minor != 7)
+if !("rmg" in packages) && !("rmgmolecule" in packages) && (PyCall.pyversion.major != 3 || !(PyCall.pyversion.minor in [7,8,9]))
     const Pkg = Base.require(Base.PkgId(Base.UUID("44cfe95a-1eb2-52ea-b672-e2afdf69b78f"), "Pkg"))
-    Conda.rm("mamba")
-    Conda.add("conda=4")
-    Conda.add("mamba")
-    Conda.update()
-    Conda.add("python=3.7")
+    Conda.add("python=3.8")
     try
         Conda.rm("numpy") #get around MKL problem
     catch e 
     end
     Conda.add("nomkl")
     Conda.add("numpy")
     Conda.add_channel("mjohnson541")
-    Conda.add_channel("hwpang")
     Conda.add("rmgmolecule")
     Pkg.build("PyCall")
 end

src/ReactionMechanismSimulator.jl

@@ -35,17 +35,17 @@ module ReactionMechanismSimulator
             copy!(solvation,pyimport("rmgpy.data.solvation"))
             copy!(fragment,pyimport("rmgpy.molecule.fragment"))
         catch e
-            copy!(molecule,pyimport_conda("molecule.molecule","rmgmolecule","hwpang"))
-            copy!(chemkin,pyimport_conda("molecule.chemkin","rmgmolecule","hwpang"))
-            copy!(species,pyimport_conda("molecule.species","rmgmolecule","hwpang"))
-            copy!(reaction,pyimport_conda("molecule.reaction","rmgmolecule","hwpang"))
-            copy!(nasa,pyimport_conda("molecule.thermo.nasa","rmgmolecule","hwpang"))
-            copy!(wilhoit,pyimport_conda("molecule.thermo.wilhoit","rmgmolecule","hwpang"))
-            copy!(arrhenius,pyimport_conda("molecule.kinetics.arrhenius","rmgmolecule","hwpang"))
-            copy!(falloff,pyimport_conda("molecule.kinetics.falloff","rmgmolecule","hwpang"))
-            copy!(chebyshev,pyimport_conda("molecule.kinetics.chebyshev","rmgmolecule","hwpang"))
-            copy!(solvation,pyimport_conda("molecule.data.solvation","rmgmolecule","hwpang"))
-            copy!(fragment,pyimport_conda("molecule.molecule.fragment","rmgmolecule","hwpang"))
+            copy!(molecule,pyimport_conda("molecule.molecule","rmgmolecule","mjohnson541"))
+            copy!(chemkin,pyimport_conda("molecule.chemkin","rmgmolecule","mjohnson541"))
+            copy!(species,pyimport_conda("molecule.species","rmgmolecule","mjohnson541"))
+            copy!(reaction,pyimport_conda("molecule.reaction","rmgmolecule","mjohnson541"))
+            copy!(nasa,pyimport_conda("molecule.thermo.nasa","rmgmolecule","mjohnson541"))
+            copy!(wilhoit,pyimport_conda("molecule.thermo.wilhoit","rmgmolecule","mjohnson541"))
+            copy!(arrhenius,pyimport_conda("molecule.kinetics.arrhenius","rmgmolecule","mjohnson541"))
+            copy!(falloff,pyimport_conda("molecule.kinetics.falloff","rmgmolecule","mjohnson541"))
+            copy!(chebyshev,pyimport_conda("molecule.kinetics.chebyshev","rmgmolecule","mjohnson541"))
+            copy!(solvation,pyimport_conda("molecule.data.solvation","rmgmolecule","mjohnson541"))
+            copy!(fragment,pyimport_conda("molecule.molecule.fragment","rmgmolecule","mjohnson541"))
         end
         copy!(pydot,pyimport_conda("pydot","pydot"))
         copy!(os,pyimport_conda("os","os"))