[BREAKING] Multi-threading of CommonSolve functions

.github/workflows/CI.yml

@@ -13,7 +13,7 @@ jobs:
       fail-fast: false
       matrix:
         version:
-          - '1.9'
+          - '1.10'
           - '1'
 #          - 'nightly'
         os:

.github/workflows/documentation.yml

@@ -16,7 +16,7 @@ jobs:
       - uses: actions/checkout@v4
       - uses: julia-actions/setup-julia@v1
         with:
-          version: '1.9'
+          version: '1'
       - name: Install dependencies
         run: julia --project=docs/ -e 'using Pkg; Pkg.develop(PackageSpec(path=pwd())); Pkg.instantiate()'
       - name: Build and deploy

Project.toml

@@ -8,7 +8,6 @@ AutoSymPTR = "78a0c066-08f1-49a8-82f0-b29cd485e1d3"
 ChunkSplitters = "ae650224-84b6-46f8-82ea-d812ca08434e"
 CommonSolve = "38540f10-b2f7-11e9-35d8-d573e4eb0ff2"
 FourierSeriesEvaluators = "2a892dea-6eef-4bb5-9d1c-de966c9f6db5"
-FunctionWrappers = "069b7b12-0de2-55c6-9aab-29f3d0a68a2e"
 HCubature = "19dc6840-f33b-545b-b366-655c7e3ffd49"
 IteratedIntegration = "3ecdc4d6-ee34-4049-885a-a4e3631db98b"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
@@ -17,6 +16,7 @@ StaticArrays = "90137ffa-7385-5640-81b9-e52037218182"
 
 [weakdeps]
 AtomsBase = "a963bdd2-2df7-4f54-a1ee-49d51e6be12a"
+FunctionWrappers = "069b7b12-0de2-55c6-9aab-29f3d0a68a2e"
 ImplicitIntegration = "bc256489-3a69-4a66-afc4-127cc87e6182"
 Polyhedra = "67491407-f73d-577b-9b50-8179a7c68029"
 SymmetryReduceBZ = "49a35663-c880-4242-bebb-1ec8c0fa8046"
@@ -25,6 +25,7 @@ WannierIO = "cb1bc77f-5443-4951-af9f-05b616a3e422"
 
 [extensions]
 AtomsBaseExt = "AtomsBase"
+AutoBZCoreFunctionWrappersExt = "FunctionWrappers"
 AutoBZCoreImplicitIntegrationExt = "ImplicitIntegration"
 SymmetryReduceBZExt = ["SymmetryReduceBZ", "Polyhedra"]
 UnitfulExt = "Unitful"
@@ -45,15 +46,15 @@ ImplicitIntegration = "0.1.1"
 IteratedIntegration = "0.5"
 LinearAlgebra = "1.9"
 OffsetArrays = "1"
-Polyhedra = "0.6,0.7"
+Polyhedra = "0.6,0.7,0.8"
 QuadGK = "2.6"
 StaticArrays = "1"
 SymmetryReduceBZ = "0.2"
 Test = "1.9"
 Unitful = "1"
 UnitfulAtomic = "1"
 WannierIO = "0.1,0.2"
-julia = "1.9"
+julia = "1.10"
 
 [extras]
 Aqua = "4c88cf16-eb10-579e-8560-4a9242c79595"

docs/make.jl

@@ -23,6 +23,7 @@ makedocs(
         "Algorithms" => "algorithms.md",
         "Reference" => "reference.md",
         "Extensions" => "extensions.md",
+        "Performance Tips" => "performance.md",
     ],
 )
 

docs/src/algorithms.md

@@ -12,8 +12,6 @@ AutoBZCore.IntegralAlgorithm
 AutoBZCore.QuadratureFunction
 AutoBZCore.QuadGKJL
 AutoBZCore.AuxQuadGKJL
-AutoBZCore.ContQuadGKJL
-AutoBZCore.MeroQuadGKJL
 ```
 
 ### Cubature

docs/src/performance.md

@@ -0,0 +1,19 @@
+# Performance Tips
+
+## `executor` interface
+
+```@docs
+AutoBZCore.AbstractExecutor
+AutoBZCore.SerialExecutor
+AutoBZCore.ThreadedExecutor
+```
+
+## `specialization` interface
+
+```@docs
+AutoBZCore.AbstractSpecialization
+AutoBZCore.DefaultSpecialize
+AutoBZCore.NoSpecialize
+AutoBZCore.FullSpecialize
+AutoBZCore.FunctionWrapperSpecialize
+```

ext/AutoBZCoreFunctionWrappersExt.jl

@@ -0,0 +1,11 @@
+module AutoBZCoreFunctionWrappersExt
+
+using AutoBZCore
+using FunctionWrappers: FunctionWrapper
+
+function AutoBZCore.init_specialized_integrand(::FunctionWrapperSpecialize, solver, f, x, p, prototype)
+    func = AutoBZCore.init_specialized_integrand(DefaultSpecialize(), solver, f, x, p, prototype)
+    FunctionWrapper{typeof(prototype), typeof((solver, f, x, p))}(func)
+end
+
+end

src/AutoBZCore.jl

@@ -50,34 +50,35 @@ module AutoBZCore
 using LinearAlgebra: I, norm, det, checksquare, isdiag, Diagonal, tr, diag, eigen, Hermitian
 
 using StaticArrays: SVector, SMatrix, sacollect
-using FunctionWrappers: FunctionWrapper
 using ChunkSplitters: chunks, getchunk
 using AutoSymPTR
 using FourierSeriesEvaluators
 using IteratedIntegration
-using QuadGK: quadgk, quadgk!, BatchIntegrand
+using QuadGK: quadgk, quadgk!, BatchIntegrand, InplaceIntegrand
 using HCubature: hcubature
 using FourierSeriesEvaluators: workspace_allocate, workspace_contract!, workspace_evaluate!, workspace_evaluate, period
 using IteratedIntegration: limit_iterate, interior_point
 using HCubature: hcubature, hquadrature
 using CommonSolve: solve
-import CommonSolve: init, solve!
+import CommonSolve: init, solve!, step!
 export init, solve!, solve
 
 include("domains.jl")
 
 export IntegralFunction, InplaceIntegralFunction, InplaceBatchIntegralFunction
 export CommonSolveIntegralFunction
 export IntegralProblem
+export AbstractSpecialization, DefaultSpecialize, NoSpecialize, FullSpecialize, FunctionWrapperSpecialize
+export AbstractExecutor, SerialExecutor, ThreadedExecutor
 include("interfaces.jl")
 
 export QuadGKJL, HCubatureJL, QuadratureFunction
 include("algorithms.jl")
-export AuxQuadGKJL, ContQuadGKJL, MeroQuadGKJL
+export AuxQuadGKJL
 include("algorithms_iterated.jl")
 export MonkhorstPack, AutoSymPTRJL
 include("algorithms_autosymptr.jl")
-export NestedQuad, EvalCounter#, AbsoluteEstimate
+export NestedQuad, EvalCounter
 include("algorithms_meta.jl")
 
 export SymmetricBZ, nsyms