From 05db09a28e001f5c2d0f49890a81817f8736d716 Mon Sep 17 00:00:00 2001 From: Alexander Spears <39826690+Alexsp32@users.noreply.github.com> Date: Sat, 11 Apr 2026 14:15:28 +0200 Subject: [PATCH 1/4] =?UTF-8?q?=E2=AC=86=EF=B8=8F=20Add=20PrettyTables=20v?= =?UTF-8?q?3=20compat?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- Project.toml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/Project.toml b/Project.toml index 8febc970..4a06056e 100644 --- a/Project.toml +++ b/Project.toml @@ -1,6 +1,6 @@ name = "ACEpotentials" uuid = "3b96b61c-0fcc-4693-95ed-1ef9f35fcc53" -version = "0.10.1" +version = "0.11.0" [deps] ACEfit = "ad31a8ef-59f5-4a01-b543-a85c2f73e95c" @@ -80,7 +80,7 @@ Optim = "1" Optimisers = "0.3.4, 0.4" OrderedCollections = "1" Polynomials4ML = "0.5" -PrettyTables = "1.3, 2" +PrettyTables = "1.3, 2, 3" Reexport = "1" Roots = "2" SparseArrays = "1" From bfdebc8c46d9891ee35a0b8c66a29698fb9cff27 Mon Sep 17 00:00:00 2001 From: Alexander Spears <39826690+Alexsp32@users.noreply.github.com> Date: Sat, 11 Apr 2026 14:17:10 +0200 Subject: [PATCH 2/4] =?UTF-8?q?=F0=9F=91=BD=EF=B8=8F=20Changes=20for=20Pre?= =?UTF-8?q?ttyTables=20v3=20API?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- src/atoms_data.jl | 27 +++++++++++++++++++++------ 1 file changed, 21 insertions(+), 6 deletions(-) diff --git a/src/atoms_data.jl b/src/atoms_data.jl index 653b9de4..c75f15e3 100644 --- a/src/atoms_data.jl +++ b/src/atoms_data.jl @@ -366,11 +366,19 @@ function _print_err_tbl(D::AbstractDict) [D[c_t]["F"] for c_t in config_types], [1000*D[c_t]["V"] for c_t in config_types], ) - pretty_table( - table; header=header, - body_hlines=[length(config_types)-1], - formatters=ft_printf("%5.3f"), - crop = :horizontal) + if pkgversion(PrettyTables) >= v"3" + pretty_table( + table; column_labels=header, + table_format=PrettyTables.TextTableFormat( + horizontal_lines_at_data_rows=[length(config_types)-1]), + formatters=PrettyTables.fmt__printf("%5.3f")) + else + pretty_table( + table; header=header, + body_hlines=[length(config_types)-1], + formatters=ft_printf("%5.3f"), + crop = :horizontal) + end end @@ -432,7 +440,14 @@ function assess_dataset(data; kwargs...) "missing", 0, 0, tot[4]-tot[2], 3*tot[3]-tot[5], 6*tot[2]-tot[6]] table = vcat(table, permutedims(tot), permutedims(miss)) - pretty_table(table; header=header, body_hlines=[length(n_configs)], crop = :horizontal) + if pkgversion(PrettyTables) >= v"3" + pretty_table(table; + column_labels=header, + table_format=PrettyTables.TextTableFormat( + horizontal_lines_at_data_rows=[length(n_configs)])) + else + pretty_table(table; header=header, body_hlines=[length(n_configs)], crop = :horizontal) + end end From ee7d8847d2a36c6024e021edcd2aae58e7ae0c44 Mon Sep 17 00:00:00 2001 From: Alexander Spears <39826690+Alexsp32@users.noreply.github.com> Date: Sat, 11 Apr 2026 14:17:34 +0200 Subject: [PATCH 3/4] =?UTF-8?q?=F0=9F=93=9D=20Update=20examples=20assuming?= =?UTF-8?q?=20newest=20PrettyTables?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- examples/Tutorial/ACEpotentials-Tutorial.jl | 4 ++-- examples/zuobench/error_table.jl | 6 +++--- examples/zuobench/error_table_svd.jl | 6 +++--- examples/zuobench/zuo_asp.jl | 4 ++-- 4 files changed, 10 insertions(+), 10 deletions(-) diff --git a/examples/Tutorial/ACEpotentials-Tutorial.jl b/examples/Tutorial/ACEpotentials-Tutorial.jl index 796dca33..7d9cc36d 100644 --- a/examples/Tutorial/ACEpotentials-Tutorial.jl +++ b/examples/Tutorial/ACEpotentials-Tutorial.jl @@ -493,7 +493,7 @@ e_table = hcat( [e_table_gap[element] for element in elements], [e_table_mtp[element] for element in elements]) println("Energy Error") -pretty_table(e_table; header = header) +pretty_table(e_table; column_labels = header) ## create force table @@ -509,7 +509,7 @@ f_table = hcat( [f_table_gap[element] for element in elements], [f_table_mtp[element] for element in elements]) println("Force Error") -pretty_table(f_table; header = header) +pretty_table(f_table; column_labels = header) # ## Part 7: Next steps diff --git a/examples/zuobench/error_table.jl b/examples/zuobench/error_table.jl index 2f3fed8e..36364540 100644 --- a/examples/zuobench/error_table.jl +++ b/examples/zuobench/error_table.jl @@ -59,10 +59,10 @@ f_table = hcat(string.(syms), f_table_gap_mtp) println("Energy Error") -pretty_table(e_table; header = header) +pretty_table(e_table; column_labels = header) -println("Force Error") -pretty_table(f_table; header = header) +println("Force Error") +pretty_table(f_table; column_labels = header) ## diff --git a/examples/zuobench/error_table_svd.jl b/examples/zuobench/error_table_svd.jl index 2105df21..a1208ead 100644 --- a/examples/zuobench/error_table_svd.jl +++ b/examples/zuobench/error_table_svd.jl @@ -80,10 +80,10 @@ f_table = hcat(string.(syms), f_table_gap_mtp) println("Energy Error") -pretty_table(e_table; header = header) +pretty_table(e_table; column_labels = header) -println("Force Error") -pretty_table(f_table; header = header) +println("Force Error") +pretty_table(f_table; column_labels = header) ## diff --git a/examples/zuobench/zuo_asp.jl b/examples/zuobench/zuo_asp.jl index cc0e6cb8..0874288e 100644 --- a/examples/zuobench/zuo_asp.jl +++ b/examples/zuobench/zuo_asp.jl @@ -80,8 +80,8 @@ f_table = hcat( [ string(sym) ], println("Energy Error (MAE)") -pretty_table(e_table; header = header) +pretty_table(e_table; column_labels = header) println("Force Error (MAE)") -pretty_table(f_table; header = header) +pretty_table(f_table; column_labels = header) From 7198064bcc3fa8052cce1963e5bf341af9ed3d50 Mon Sep 17 00:00:00 2001 From: Alexander Spears <39826690+Alexsp32@users.noreply.github.com> Date: Sun, 12 Apr 2026 11:31:59 +0200 Subject: [PATCH 4/4] =?UTF-8?q?=F0=9F=90=9B=20Fix=20vibe=20coded=20table?= =?UTF-8?q?=20printing?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- src/atoms_data.jl | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/src/atoms_data.jl b/src/atoms_data.jl index c75f15e3..174fdb59 100644 --- a/src/atoms_data.jl +++ b/src/atoms_data.jl @@ -369,9 +369,8 @@ function _print_err_tbl(D::AbstractDict) if pkgversion(PrettyTables) >= v"3" pretty_table( table; column_labels=header, - table_format=PrettyTables.TextTableFormat( - horizontal_lines_at_data_rows=[length(config_types)-1]), - formatters=PrettyTables.fmt__printf("%5.3f")) + formatters=[PrettyTables.fmt__printf("%5.3f")], + ) else pretty_table( table; header=header,