diff --git a/src/ConvergenceTestWorkflow/Config.jl b/src/ConvergenceTestWorkflow/Config.jl index e658228..78ffa40 100644 --- a/src/ConvergenceTestWorkflow/Config.jl +++ b/src/ConvergenceTestWorkflow/Config.jl @@ -1,11 +1,11 @@ module Config +using Configurations: OptionField, @option using ExpressBase.Config: SoftwareConfig using QuantumESPRESSO.PWscf: PWInput -using QuantumESPRESSO.Commands: QuantumESPRESSOConfig, PwxConfig -import Configurations: convert_to_option -import Express.ConvergenceTestWorkflow.Config: StaticConfig, ExpandConfig +import Configurations: from_dict +import Express.ConvergenceTestWorkflow.Config: StaticConfig, _update! function (::ExpandConfig)(template::AbstractString) str = read(expanduser(template), String) diff --git a/src/ConvergenceTestWorkflow/actions.jl b/src/ConvergenceTestWorkflow/actions.jl index 4583225..d6062de 100644 --- a/src/ConvergenceTestWorkflow/actions.jl +++ b/src/ConvergenceTestWorkflow/actions.jl @@ -1,9 +1,8 @@ using AbInitioSoftwareBase: Setter using CrystallographyBase: MonkhorstPackGrid using Dates: format, now -using QuantumESPRESSO.Commands: pw -using QuantumESPRESSO.PWscf: KMeshCard, PWInput, VerbositySetter using ExpressBase.Files: parentdir +using QuantumESPRESSO.PWscf: PWInput, KMeshCard, PWInput, VerbositySetter using Setfield: @set! using UnifiedPseudopotentialFormat # To work with `download_potential` using Unitful: ustrip, @u_str