Update of interface towards AtomsCalculator 0.2 #30
CI.yml
on: pull_request
Documentation
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Matrix: test
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11 errors and 3 warnings
Julia 1.9 - ubuntu-latest - x64 - pull_request
Process completed with exit code 1.
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Julia nightly - ubuntu-latest - x64 - pull_request
Process completed with exit code 1.
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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/
|