runtests.jl

# Work around JuliaLang/Pkg.jl#2500
# Must be before loading anything
if VERSION < v"1.8-"
    test_project = first(Base.load_path())
    preferences_file = "../LocalPreferences.toml"
    test_preferences_file = joinpath(dirname(test_project), "LocalPreferences.toml")
    if isfile(preferences_file) && !isfile(test_preferences_file)
        cp(preferences_file, test_preferences_file)
        @info "copied LocalPreferences.toml to $test_preferences_file"
    end
end

using Test
using DFTK
using Random

#
# This test suite supports test arguments. For example:
#     Pkg.test("DFTK"; test_args = ["fast"])
# only runs the "fast" tests (i.e. not the expensive ones)
#     Pkg.test("DFTK"; test_args = ["example"])
# runs only the tests tagged as "example" and
#     Pkg.test("DFTK"; test_args = ["example", "all"])
# runs all tests plus the "example" tests.
#

const DFTK_TEST_ARGS = let
    if "DFTK_TEST_ARGS" in keys(ENV)
        append!(split(ENV["DFTK_TEST_ARGS"], ","), ARGS)
    else
        ARGS
    end
end

const FAST_TESTS = "fast" in DFTK_TEST_ARGS
const TAGS = let
    # Tags supplied by the user.
    # Replace "fast" with "all": the notice for quick checks has been dealt with above.
    tags = replace(e -> e == "fast" ? "all" : e, DFTK_TEST_ARGS)
    isempty(tags) ? ["all"] : tags
end

if FAST_TESTS
    println("   Running fast tests (TAGS = $(join(TAGS, ", "))).")
else
    println("   Running tests (TAGS = $(join(TAGS, ", "))).")
end

# Work around some issues with test preferences
let
    test_project = first(Base.load_path())
    preferences_file = joinpath(dirname(@__DIR__), "LocalPreferences.toml")
    test_preferences_file = joinpath(dirname(test_project), "LocalPreferences.toml")
    if isfile(preferences_file) && !isfile(test_preferences_file)
        cp(preferences_file, test_preferences_file)
    end
end


# Setup threading in DFTK
setup_threading(; n_blas=2)

# Initialize seed
Random.seed!(0)

# Wrap in an outer testset to get a full report if one test fails
@testset "DFTK.jl" begin
    if "gpu" in TAGS
        include("gpu.jl")
    end

    # Super quick tests
    if "all" in TAGS || "quick" in TAGS
        include("helium_all_electron.jl")
        include("silicon_lda.jl")
        include("iron_pbe.jl")
    end

    # Synthetic tests at the beginning, so it fails faster if
    # something has gone badly wrong
    if "all" in TAGS || "functionality" in TAGS
        include("helium_all_electron.jl")
        include("silicon_redHF.jl")
        include("silicon_pbe.jl")
        include("silicon_scan.jl")
        include("scf_compare.jl")
        include("iron_lda.jl")
        include("external_potential.jl")
    end

    if "all" in TAGS || "psp" in TAGS
        include("list_psp.jl")
        include("PspHgh.jl")
        include("PspUpf.jl")
    end

    if "all" in TAGS
        include("split_evenly.jl")
        include("compute_fft_size.jl")
        include("fourier_transforms.jl")
        include("PlaneWaveBasis.jl")
        include("Model.jl")
        include("interpolation.jl")
        include("transfer.jl")
        include("elements.jl")
        include("bzmesh.jl")
        include("bzmesh_symmetry.jl")
        include("supercell.jl")
    end

    if "all" in TAGS
        include("external/atomsbase.jl")
        include("external/interatomicpotentials.jl")
        include("external/spglib.jl")
        include("external/wannier90.jl")
    end

    if "all" in TAGS
        include("hamiltonian_consistency.jl")
    end

    if "all" in TAGS
        include("lobpcg.jl")
        include("diag_compare.jl")

        # This fails with multiple MPI procs, seems like a race condition
        # with MPI + DoubleFloats. TODO debug
        mpi_nprocs() == 1 && include("interval_arithmetic.jl")
    end

    if "all" in TAGS
        include("ewald.jl")
        include("anyons.jl")
        include("energy_nuclear.jl")
        include("occupation.jl")
        include("energies_guess_density.jl")
        include("compute_density.jl")
        include("forces.jl")
        include("pairwise.jl")
        include("stresses.jl")
        include("nlcc.jl")
    end

    if "all" in TAGS
        include("adaptive_damping.jl")
        include("variational.jl")
        include("compute_bands.jl")
        include("random_spindensity.jl")
        include("cg.jl")
        include("chi0.jl")
        include("kernel.jl")
        include("serialisation.jl")
        include("compute_jacobian_eigen.jl")
        include("printing.jl")
        include("energy_cutoff_smearing.jl")
        include("guess_density.jl")
    end

    if "all" in TAGS && mpi_master()
        include("aqua.jl")
    end

    # Distributed implementation not yet available
    if "all" in TAGS && mpi_nprocs() == 1
        include("hessian.jl")
        include("forwarddiff.jl")
        include("phonon/runtests.jl")
    end

    ("example" in TAGS) && include("runexamples.jl")
end