Skip to content

Update of interface towards AtomsCalculator 0.2 #30

Update of interface towards AtomsCalculator 0.2

Update of interface towards AtomsCalculator 0.2 #30

Triggered via pull request August 2, 2024 15:40
@mfherbstmfherbst
synchronize #11
upinterface
Status Failure
Total duration 8m 5s
Artifacts

CI.yml

on: pull_request
Matrix: test
Fit to window
Zoom out
Zoom in

Annotations

11 errors and 3 warnings
Julia 1.9 - ubuntu-latest - x64 - pull_request
Process completed with exit code 1.
Julia nightly - ubuntu-latest - x64 - pull_request
Process completed with exit code 1.
Documentation: ../../../.julia/packages/Documenter/qoyeC/src/utilities/utilities.jl#L44
failed to run `@example` block in src/examples/aluminium_dftk.md:8-13 ```@example dftk-aluminium using AtomsBuilder using Unitful system = rattle!(bulk(:Al; cubic=true), 0.2u"Å") ``` exception = ArgumentError: Package Unitful not found in current path. - Run `import Pkg; Pkg.add("Unitful")` to install the Unitful package. Stacktrace: [1] macro expansion @ ./loading.jl:1772 [inlined] [2] macro expansion @ ./lock.jl:267 [inlined] [3] __require(into::Module, mod::Symbol) @ Base ./loading.jl:1753 [4] #invoke_in_world#3 @ ./essentials.jl:926 [inlined] [5] invoke_in_world @ ./essentials.jl:923 [inlined] [6] require(into::Module, mod::Symbol) @ Base ./loading.jl:1746 [7] eval @ ./boot.jl:385 [inlined] [8] #58 @ ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:754 [inlined] [9] cd(f::Documenter.var"#58#60"{Module, Expr}, dir::String) @ Base.Filesystem ./file.jl:112 [10] (::Documenter.var"#57#59"{Documenter.Page, Module, Expr})() @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:753 [11] (::IOCapture.var"#5#9"{DataType, Documenter.var"#57#59"{Documenter.Page, Module, Expr}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}})() @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:170 [12] with_logstate(f::Function, logstate::Any) @ Base.CoreLogging ./logging.jl:515 [13] with_logger @ ./logging.jl:627 [inlined] [14] capture(f::Documenter.var"#57#59"{Documenter.Page, Module, Expr}; rethrow::Type, color::Bool, passthrough::Bool, capture_buffer::IOBuffer, io_context::Vector{Any}) @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:167 [15] runner(::Type{Documenter.Expanders.ExampleBlocks}, node::MarkdownAST.Node{Nothing}, page::Documenter.Page, doc::Documenter.Document) @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:752
Documentation: ../../../.julia/packages/Documenter/qoyeC/src/utilities/utilities.jl#L44
failed to run `@example` block in src/examples/aluminium_dftk.md:32-35 ```@example dftk-aluminium system = attach_psp(system; Al="hgh/lda/al-q3") nothing ``` exception = UndefVarError: `system` not defined Stacktrace: [1] top-level scope @ aluminium_dftk.md:33 [2] eval @ ./boot.jl:385 [inlined] [3] #58 @ ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:754 [inlined] [4] cd(f::Documenter.var"#58#60"{Module, Expr}, dir::String) @ Base.Filesystem ./file.jl:112 [5] (::Documenter.var"#57#59"{Documenter.Page, Module, Expr})() @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:753 [6] (::IOCapture.var"#5#9"{DataType, Documenter.var"#57#59"{Documenter.Page, Module, Expr}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}})() @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:170 [7] with_logstate(f::Function, logstate::Any) @ Base.CoreLogging ./logging.jl:515 [8] with_logger @ ./logging.jl:627 [inlined] [9] capture(f::Documenter.var"#57#59"{Documenter.Page, Module, Expr}; rethrow::Type, color::Bool, passthrough::Bool, capture_buffer::IOBuffer, io_context::Vector{Any}) @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:167 [10] runner(::Type{Documenter.Expanders.ExampleBlocks}, node::MarkdownAST.Node{Nothing}, page::Documenter.Page, doc::Documenter.Document) @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:752
Documentation: ../../../.julia/packages/Documenter/qoyeC/src/utilities/utilities.jl#L44
failed to run `@example` block in src/examples/aluminium_dftk.md:47-55 ```@example dftk-aluminium using GeometryOptimization GO = GeometryOptimization results = minimize_energy!(system, calc, GO.OptimLBFGS(); tol_force=1e-4u"eV/Å", show_trace=true) nothing ``` exception = LoadError: UndefVarError: `@u_str` not defined Stacktrace: [1] top-level scope @ :0 [2] eval @ ./boot.jl:385 [inlined] [3] #58 @ ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:754 [inlined] [4] cd(f::Documenter.var"#58#60"{Module, Expr}, dir::String) @ Base.Filesystem ./file.jl:112 [5] (::Documenter.var"#57#59"{Documenter.Page, Module, Expr})() @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:753 [6] (::IOCapture.var"#5#9"{DataType, Documenter.var"#57#59"{Documenter.Page, Module, Expr}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}})() @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:170 [7] with_logstate(f::Function, logstate::Any) @ Base.CoreLogging ./logging.jl:515 [8] with_logger @ ./logging.jl:627 [inlined] [9] capture(f::Documenter.var"#57#59"{Documenter.Page, Module, Expr}; rethrow::Type, color::Bool, passthrough::Bool, capture_buffer::IOBuffer, io_context::Vector{Any}) @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:167 [10] runner(::Type{Documenter.Expanders.ExampleBlocks}, node::MarkdownAST.Node{Nothing}, page::Documenter.Page, doc::Documenter.Document) @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:752 in expression starting at aluminium_dftk.md:52
Documentation: ../../../.julia/packages/Documenter/qoyeC/src/utilities/utilities.jl#L44
failed to run `@example` block in src/examples/aluminium_dftk.md:58-60 ```@example dftk-aluminium results.energy ``` exception = UndefVarError: `results` not defined Stacktrace: [1] top-level scope @ :0 [2] eval @ ./boot.jl:385 [inlined] [3] #58 @ ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:754 [inlined] [4] cd(f::Documenter.var"#58#60"{Module, Expr}, dir::String) @ Base.Filesystem ./file.jl:112 [5] (::Documenter.var"#57#59"{Documenter.Page, Module, Expr})() @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:753 [6] (::IOCapture.var"#5#9"{DataType, Documenter.var"#57#59"{Documenter.Page, Module, Expr}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}})() @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:170 [7] with_logstate(f::Function, logstate::Any) @ Base.CoreLogging ./logging.jl:515 [8] with_logger @ ./logging.jl:627 [inlined] [9] capture(f::Documenter.var"#57#59"{Documenter.Page, Module, Expr}; rethrow::Type, color::Bool, passthrough::Bool, capture_buffer::IOBuffer, io_context::Vector{Any}) @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:167 [10] runner(::Type{Documenter.Expanders.ExampleBlocks}, node::MarkdownAST.Node{Nothing}, page::Documenter.Page, doc::Documenter.Document) @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:752
Documentation: ../../../.julia/packages/Documenter/qoyeC/src/utilities/utilities.jl#L44
failed to run `@example` block in src/examples/aluminium_dftk.md:63-65 ```@example dftk-aluminium results.system ``` exception = UndefVarError: `results` not defined Stacktrace: [1] top-level scope @ :0 [2] eval @ ./boot.jl:385 [inlined] [3] #58 @ ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:754 [inlined] [4] cd(f::Documenter.var"#58#60"{Module, Expr}, dir::String) @ Base.Filesystem ./file.jl:112 [5] (::Documenter.var"#57#59"{Documenter.Page, Module, Expr})() @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:753 [6] (::IOCapture.var"#5#9"{DataType, Documenter.var"#57#59"{Documenter.Page, Module, Expr}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}})() @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:170 [7] with_logstate(f::Function, logstate::Any) @ Base.CoreLogging ./logging.jl:515 [8] with_logger @ ./logging.jl:627 [inlined] [9] capture(f::Documenter.var"#57#59"{Documenter.Page, Module, Expr}; rethrow::Type, color::Bool, passthrough::Bool, capture_buffer::IOBuffer, io_context::Vector{Any}) @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:167 [10] runner(::Type{Documenter.Expanders.ExampleBlocks}, node::MarkdownAST.Node{Nothing}, page::Documenter.Page, doc::Documenter.Document) @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:752
Documentation: ../../../.julia/packages/Documenter/qoyeC/src/utilities/utilities.jl#L44
failed to run `@example` block in src/examples/aluminium_dftk.md:68-70 ```@example dftk-aluminium results.stats ``` exception = UndefVarError: `results` not defined Stacktrace: [1] top-level scope @ :0 [2] eval @ ./boot.jl:385 [inlined] [3] #58 @ ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:754 [inlined] [4] cd(f::Documenter.var"#58#60"{Module, Expr}, dir::String) @ Base.Filesystem ./file.jl:112 [5] (::Documenter.var"#57#59"{Documenter.Page, Module, Expr})() @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:753 [6] (::IOCapture.var"#5#9"{DataType, Documenter.var"#57#59"{Documenter.Page, Module, Expr}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}})() @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:170 [7] with_logstate(f::Function, logstate::Any) @ Base.CoreLogging ./logging.jl:515 [8] with_logger @ ./logging.jl:627 [inlined] [9] capture(f::Documenter.var"#57#59"{Documenter.Page, Module, Expr}; rethrow::Type, color::Bool, passthrough::Bool, capture_buffer::IOBuffer, io_context::Vector{Any}) @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:167 [10] runner(::Type{Documenter.Expanders.ExampleBlocks}, node::MarkdownAST.Node{Nothing}, page::Documenter.Page, doc::Documenter.Document) @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:752
Documentation: ../../../.julia/packages/Documenter/qoyeC/src/utilities/utilities.jl#L44
failed to run `@example` block in src/examples/aluminium_dftk.md:72-74 ```@example dftk-aluminium results.alg ``` exception = UndefVarError: `results` not defined Stacktrace: [1] top-level scope @ :0 [2] eval @ ./boot.jl:385 [inlined] [3] #58 @ ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:754 [inlined] [4] cd(f::Documenter.var"#58#60"{Module, Expr}, dir::String) @ Base.Filesystem ./file.jl:112 [5] (::Documenter.var"#57#59"{Documenter.Page, Module, Expr})() @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:753 [6] (::IOCapture.var"#5#9"{DataType, Documenter.var"#57#59"{Documenter.Page, Module, Expr}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}})() @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:170 [7] with_logstate(f::Function, logstate::Any) @ Base.CoreLogging ./logging.jl:515 [8] with_logger @ ./logging.jl:627 [inlined] [9] capture(f::Documenter.var"#57#59"{Documenter.Page, Module, Expr}; rethrow::Type, color::Bool, passthrough::Bool, capture_buffer::IOBuffer, io_context::Vector{Any}) @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:167 [10] runner(::Type{Documenter.Expanders.ExampleBlocks}, node::MarkdownAST.Node{Nothing}, page::Documenter.Page, doc::Documenter.Document) @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:752
Documentation: ../../../.julia/packages/Documenter/qoyeC/src/utilities/utilities.jl#L44
failed to run `@example` block in src/examples/tial_lj.md:18-23 ```@example tial using Unitful using UnitfulAtomic calc = LennardJones(-1.0u"meV", 3.1u"Å", 13, 13, 6.0u"Å") nothing ``` exception = ArgumentError: Package Unitful not found in current path. - Run `import Pkg; Pkg.add("Unitful")` to install the Unitful package. Stacktrace: [1] macro expansion @ ./loading.jl:1772 [inlined] [2] macro expansion @ ./lock.jl:267 [inlined] [3] __require(into::Module, mod::Symbol) @ Base ./loading.jl:1753 [4] #invoke_in_world#3 @ ./essentials.jl:926 [inlined] [5] invoke_in_world @ ./essentials.jl:923 [inlined] [6] require(into::Module, mod::Symbol) @ Base ./loading.jl:1746 [7] eval @ ./boot.jl:385 [inlined] [8] #58 @ ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:754 [inlined] [9] cd(f::Documenter.var"#58#60"{Module, Expr}, dir::String) @ Base.Filesystem ./file.jl:112 [10] (::Documenter.var"#57#59"{Documenter.Page, Module, Expr})() @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:753 [11] (::IOCapture.var"#5#9"{DataType, Documenter.var"#57#59"{Documenter.Page, Module, Expr}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}, IOContext{Base.PipeEndpoint}})() @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:170 [12] with_logstate(f::Function, logstate::Any) @ Base.CoreLogging ./logging.jl:515 [13] with_logger @ ./logging.jl:627 [inlined] [14] capture(f::Documenter.var"#57#59"{Documenter.Page, Module, Expr}; rethrow::Type, color::Bool, passthrough::Bool, capture_buffer::IOBuffer, io_context::Vector{Any}) @ IOCapture ~/.julia/packages/IOCapture/Y5rEA/src/IOCapture.jl:167 [15] runner(::Type{Documenter.Expanders.ExampleBlocks}, node::MarkdownAST.Node{Nothing}, page::Documenter.Page, doc::Documenter.Document) @ Documenter ~/.julia/packages/Documenter/qoyeC/src/expander_pipeline.jl:752
Documentation
Process completed with exit code 1.
Julia 1.9 - ubuntu-latest - x64 - pull_request
The following actions uses Node.js version which is deprecated and will be forced to run on node20: actions/checkout@v3, julia-actions/setup-julia@v1, actions/cache@4d4ae6ae148a43d0fd1eda1800170683e9882738, pyTooling/Actions/with-post-step@adef08d3bdef092282614f3b683897cefae82ee3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
Julia nightly - ubuntu-latest - x64 - pull_request
The following actions uses Node.js version which is deprecated and will be forced to run on node20: actions/checkout@v3, julia-actions/setup-julia@v1, actions/cache@4d4ae6ae148a43d0fd1eda1800170683e9882738, pyTooling/Actions/with-post-step@adef08d3bdef092282614f3b683897cefae82ee3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
Documentation
The following actions uses Node.js version which is deprecated and will be forced to run on node20: actions/checkout@v3, julia-actions/setup-julia@v1. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/