Production build on tests

Project.toml

@@ -32,7 +32,7 @@ Plotting = "Plots"
 [compat]
 Aqua = "0.8.9"
 BenchmarkTools = "1"
-CellListMap = "0.8.30, 0.9"
+CellListMap = "0.9.7"
 Chemfiles = "0.10.3"
 ChunkSplitters = "3.1"
 DelimitedFiles = "1.9"
@@ -43,7 +43,7 @@ JSON3 = "1.11.1"
 LinearAlgebra = "1.9"
 PDBTools = "1.8.1, 2"
 Plots = "1.39"
-PrecompileTools = "1"
+PrecompileTools = "1.2.1"
 Printf = "1.9"
 ProgressMeter = "1.10.1"
 Random = "1.9"
@@ -54,8 +54,8 @@ StaticArrays = "1.6"
 Statistics = "1.9"
 StructTypes = "1.10"
 Test = "1.9"
-TestItemRunner = "0.2"
-TestItems = "0.1, 1"
+TestItemRunner = "1.1"
+TestItems = "1"
 julia = "1.9"
 
 [extras]

src/ComplexMixtures.jl

@@ -16,7 +16,7 @@ using Printf: @sprintf
 using ProgressMeter: Progress, next!
 using StaticArrays: SVector, SMatrix, @SMatrix, MMatrix
 using Statistics: mean, std
-using TestItems: @testitem
+using TestItems: @testitem, @testmodule
 
 
 # Data types

src/Trajectory.jl

@@ -76,21 +76,11 @@ end
 convert_unitcell(::SVector, unitcell::AbstractMatrix) = SVector{3}(unitcell[1, 1], unitcell[2, 2], unitcell[3, 3])
 convert_unitcell(::SMatrix, unitcell::AbstractMatrix) = SMatrix{3,3}(unitcell)
 
-@testitem "convert_unitcell" begin
+@testitem "convert_unitcell" setup=[AllocTest] begin
     using ComplexMixtures: convert_unitcell
     using StaticArrays: SVector, SMatrix
     using BenchmarkTools: @benchmark
-
-    @kwdef struct Allocs
-        prodbuild::Bool = haskey(ENV, "BUILD_IS_PRODUCTION_BUILD") && ENV["BUILD_IS_PRODUCTION_BUILD"] == "true"
-        allocs::Int
-    end
-    Allocs(allocs::Int) = Allocs(; allocs)
-    import Base: ==, >, <
-    ==(a::Int, b::Allocs) = b.prodbuild ? a == b.allocs : true
-    <(a::Int, b::Allocs) = b.prodbuild ? a < b.allocs : true
-    ==(a::Allocs, b::Int) = a.prodbuild ? a.allocs == b : true
-    <(a::Allocs, b::Int) = a.prodbuild ? a.allocs < b : true
+    using .AllocTest: Allocs
 
     m = [1.0 0.0 0.0; 0.0 1.0 0.0; 0.0 0.0 1.0]
     @test convert_unitcell(m) isa SVector

test/allocations.jl

@@ -1,25 +1,13 @@
 
-@testitem "Allocations" begin
+@testitem "Allocations" setup=[AllocTest] begin
     using PDBTools
     using ComplexMixtures
     using ComplexMixtures.Testing
     using BenchmarkTools
-
-    @kwdef struct Allocs
-        prodbuild::Bool = haskey(ENV, "BUILD_IS_PRODUCTION_BUILD") && ENV["BUILD_IS_PRODUCTION_BUILD"] == "true"
-        allocs::Int
-    end
-    Allocs(allocs::Int) = Allocs(; allocs)
-    import Base: ==, >, <
-    ==(a::Int, b::Allocs) = b.prodbuild ? a == b.allocs : true
-    <(a::Int, b::Allocs) = b.prodbuild ? a < b.allocs : true
-    ==(a::Allocs, b::Int) = a.prodbuild ? a.allocs == b : true
-    <(a::Allocs, b::Int) = a.prodbuild ? a.allocs < b : true
-
+    using .AllocTest: Allocs
 
     dir = "$(Testing.data_dir)/NAMD"
     atoms = readPDB("$dir/structure.pdb")
-
     options = Options(
         lastframe=1,
         nthreads=1,

test/runtests.jl

@@ -1,4 +1,21 @@
-using TestItemRunner: @run_package_tests, @testitem
+using TestItemRunner
+
+@testmodule AllocTest begin
+    # This module defines the Allocs struct and the comparison operators
+    # to conditionally compare the number of allocations based on the
+    # BUILD_IS_PRODUCTION_BUILD environment variable.
+    export Allocs
+    @kwdef struct Allocs
+        prodbuild::Bool = haskey(ENV, "BUILD_IS_PRODUCTION_BUILD") && ENV["BUILD_IS_PRODUCTION_BUILD"] == "true"
+        allocs::Int
+    end
+    Allocs(allocs::Int) = Allocs(; allocs)
+    import Base: ==, >, <
+    ==(a::Int, b::Allocs) = b.prodbuild ? a == b.allocs : true
+    <(a::Int, b::Allocs) = b.prodbuild ? a < b.allocs : true
+    ==(a::Allocs, b::Int) = a.prodbuild ? a.allocs == b : true
+    <(a::Allocs, b::Int) = a.prodbuild ? a.allocs < b : true
+end
 
 @run_package_tests