Introduce pre-commit hooks

.github/workflows/release.yml

@@ -244,17 +244,17 @@ jobs:
             --- src/combine.cxx	2024-04-23 16:35:27.000000000 +0200
             +++ src/combine.cxx.new	2024-07-06 12:29:12.813303074 +0200
             @@ -56,12 +56,6 @@
-             } 
-             
-             
-            -double integral( appl::TH1D* h ) { 
+             }
+
+
+            -double integral( appl::TH1D* h ) {
             -  double d = 0;
             -  for ( int i=0 ; i<h->GetNbinsX() ; i++ ) d += h->GetBinContent(i+1);
             -  return d;
             -}
             -
-             
-             void print( appl::TH1D* h ) { 
+
+             void print( appl::TH1D* h ) {
                for ( int i=1 ; i<=h->GetNbinsX() ; i++ ) std::cout << h->GetBinContent(i) << " ";
             EOF
             # compile static libraries with PIC to make statically linking PineAPPL's CLI work

.pre-commit-config.yaml

@@ -0,0 +1,49 @@
+# See https://pre-commit.com for more information
+# See https://pre-commit.com/hooks.html for more hooks
+repos:
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v4.6.0
+    hooks:
+      - id: trailing-whitespace
+        exclude: ^pineappl_cli/tests/
+      - id: end-of-file-fixer
+      - id: check-merge-conflict
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    # A fast Python linter and code formatter. See
+    # https://docs.astral.sh/ruff/ for more details.
+    rev: v0.6.5
+    hooks:
+      - id: ruff
+        args: [--fix]
+        exclude: ^pineappl_cli/src/plot.py
+      - id: ruff-format
+        args: [--line-length=80]
+        exclude: ^pineappl_cli/src/plot.py
+  - repo: local
+    hooks:
+    - id: fmt
+      name: cargo fmt
+      description: Format Rust files with cargo fmt.
+      entry: cargo fmt --
+      language: system
+      files: ^pineappl\S*\/.*\.rs$
+      args: []
+    - id: check
+      name: cargo check
+      description: Run cargo check.
+      entry: bash -c 'cargo check --all-targets --features=evolve,fktable'
+      language: system
+      require_serial: true
+      types: [rust]
+    - id: clippy
+      name: cargo clippy
+      description: Check Rust files with cargo clippy.
+      # Show only errors and ignore warnings
+      entry: cargo clippy --all-targets --features=evolve,fktable -- -Awarnings
+      pass_filenames: false
+      types: [file, rust]
+      language: system
+  - repo: https://github.com/pre-commit/pre-commit
+    rev: v3.8.0
+    hooks:
+      - id: validate_manifest

CONTRIBUTING.md

@@ -2,10 +2,10 @@
 
 ## Rust
 
-- Before you commit, make sure that your code compiles with `cargo check` and
-  that it has been formatted properly; `cargo fmt` does that for you. Also
-  check if your changes introduce any new linter warnings by running `cargo
-  clippy`
+- Before you commit, make sure that you have [pre-commit](https://pre-commit.com/)
+  installed. This will ensure that the code is formatted correctly and that
+  it compiles properly. Also, check if your changes introduce any new linter
+  warnings by running `cargo clippy`.
 - Make sure to keep `CHANGELOG.md` up-to-date.
 - Make sure not to use Rust features newer than the specified minimum supported
   Rust Version (MSRV), which is documented in the [README](README.md). You can

docs/maintainers-guide.md

@@ -50,6 +50,7 @@
 - `_config.yml`: configuration file for PineAPPL's Github-pages website
 - `install-capi.sh`: POSIX-compliant shell script to download and install
   PineAPPL's pre-built CAPI
+- `.pre-commit-config.yaml`: pre-commit hooks configuration
 
 [cargo-xtask]: https://github.com/matklad/cargo-xtask
 [release page]: https://github.com/NNPDF/pineappl/releases

examples/cpp/advanced-filling.cpp

@@ -66,4 +66,3 @@ int main() {
     // release memory
     pineappl_grid_delete(grid);
 }
-

examples/cpp/merge-grids.cpp

@@ -41,4 +41,3 @@ int main(int argc, char* argv[]) {
     pineappl_grid_delete(clone);
     pineappl_grid_delete(grid1);
 }
-

examples/cpp/modify-grid.cpp

@@ -82,4 +82,3 @@ int main(int argc, char* argv[]) {
     // release memory
     pineappl_grid_delete(grid);
 }
-

examples/fortran/lhapdf_example.f90

@@ -26,7 +26,7 @@ program lhapdf_example
 
     call lhapdf_initpdfset_byname(0, "nCTEQ15_1_1")
     call lhapdf_initpdfset_byname(1, "nCTEQ15FullNuc_208_82")
-    
+
     ! calling pineappl_grid_convolve without any flags
     xfx => xfx_test1
     alphas => alphas_test1
@@ -48,7 +48,7 @@ function xfx_test1(pdg_id, x, q2, state) bind(c)
         use iso_c_binding
 
         implicit none
-        
+
         integer(c_int32_t), value, intent(in) :: pdg_id
         real(c_double), value, intent(in)     :: x, q2
         type(c_ptr), value, intent(in)        :: state
@@ -61,7 +61,7 @@ function xfx_test2(pdg_id, x, q2, state) bind(c)
         use iso_c_binding
 
         implicit none
-        
+
         integer(c_int32_t), value, intent(in) :: pdg_id
         real(c_double), value, intent(in)     :: x, q2
         type(c_ptr), value, intent(in)        :: state
@@ -78,7 +78,7 @@ function alphas_test1(q2, state) bind(c)
         use iso_c_binding
 
         implicit none
-        
+
         real(c_double), value, intent(in) :: q2
         type(c_ptr), value, intent(in)    :: state
         real(c_double)                    :: alphas_test1
@@ -90,7 +90,7 @@ function alphas_test2(q2, state) bind(c)
         use iso_c_binding
 
         implicit none
-        
+
         real(c_double), value, intent(in) :: q2
         type(c_ptr), value, intent(in)    :: state
         real(c_double)                    :: alphas_test2

examples/fortran/pineappl.f90

@@ -33,7 +33,7 @@ function pineappl_alphas(q2, state) bind(c)
             use iso_c_binding
 
             implicit none
-            
+
             real(c_double), value, intent(in) :: q2
             type (c_ptr), value, intent(in)   :: state
             real(c_double)                    :: pineappl_alphas
@@ -353,15 +353,15 @@ subroutine string_delete(string) bind(c, name = 'pineappl_string_delete')
     ! https://stackoverflow.com/a/20121335 and https://community.intel.com/t5/Intel-Fortran-Compiler/Converting-c-string-to-Fortran-string/m-p/959515
     function c_f_string(c_str) result(f_str)
         use :: iso_c_binding
-        
+
         type(c_ptr), intent(in) :: c_str
         character(kind=c_char), dimension(:), pointer :: arr_f_ptr => null()
         character(len=:, kind=c_char), allocatable :: f_str
         integer(kind=c_size_t) :: i, length
 
         length = strlen(c_str)
         call c_f_pointer(c_str, arr_f_ptr, [length])
-        
+
         if (.not.associated(arr_f_ptr)) then
             f_str = "NULL"
             return
@@ -378,15 +378,15 @@ integer function pineappl_grid_bin_count(grid)
         implicit none
 
         type (pineappl_grid), intent(in) :: grid
-        
+
         pineappl_grid_bin_count = grid_bin_count(grid%ptr)
     end function
 
     integer function pineappl_grid_bin_dimensions(grid)
         implicit none
 
         type (pineappl_grid), intent(in) :: grid
-        
+
         pineappl_grid_bin_dimensions = grid_bin_dimensions(grid%ptr)
     end function
 
@@ -439,9 +439,9 @@ type (pineappl_grid) function pineappl_grid_clone(grid)
 
     function pineappl_grid_convolve_with_one(grid, pdg_id, xfx, alphas, order_mask, lumi_mask, xi_ren, xi_fac, state) result(res)
         use iso_c_binding
-        
+
         implicit none
-        
+
         type (pineappl_grid), intent(in)   :: grid
         integer, intent(in)                :: pdg_id
         ! no pointer attribute here, see https://community.intel.com/t5/Intel-Fortran-Compiler/Segfault-when-passing-procedure-pointer-to-function-but-not-when/m-p/939797
@@ -478,9 +478,9 @@ function pineappl_grid_convolve_with_one(grid, pdg_id, xfx, alphas, order_mask,
     function pineappl_grid_convolve_with_two(grid, pdg_id1, xfx1, pdg_id2, xfx2, alphas, &
         order_mask, lumi_mask, xi_ren, xi_fac, state) result(res)
         use iso_c_binding
-        
+
         implicit none
-        
+
         type (pineappl_grid), intent(in)   :: grid
         integer, intent(in)                :: pdg_id1, pdg_id2
         procedure (pineappl_xfx)           :: xfx1, xfx2
@@ -570,7 +570,7 @@ function pineappl_grid_key_value(grid, key) result(res)
         type (pineappl_grid), intent(in) :: grid
         character (*), intent(in)        :: key
         character (:), allocatable       :: res
-        
+
         res = c_f_string(grid_key_value(grid%ptr, key // c_null_char))
     end function
 

examples/fortran/test.f90

@@ -1,7 +1,7 @@
 program test_pineappl
     use pineappl
     use iso_c_binding
-    
+
     implicit none
 
     integer, parameter :: dp = kind(0.0d0)
@@ -164,7 +164,7 @@ function xfx1_test(pdg_id, x, q2, state) bind(c)
         use iso_c_binding
 
         implicit none
-        
+
         integer(c_int32_t), value, intent(in) :: pdg_id
         real(c_double), value, intent(in)     :: x, q2
         type(c_ptr), value, intent(in)        :: state
@@ -177,7 +177,7 @@ function xfx2_test(pdg_id, x, q2, state) bind(c)
         use iso_c_binding
 
         implicit none
-        
+
         integer(c_int32_t), value, intent(in) :: pdg_id
         real(c_double), value, intent(in)     :: x, q2
         type(c_ptr), value, intent(in)        :: state
@@ -190,7 +190,7 @@ function alphas_test(q2, state) bind(c)
         use iso_c_binding
 
         implicit none
-        
+
         real(c_double), value, intent(in) :: q2
         type(c_ptr), value, intent(in)    :: state
         real(c_double)                    :: alphas_test

pineappl_cli/src/subgrid-pull-plot.py

@@ -5,58 +5,64 @@
 from math import fabs, log10
 from scipy.interpolate import griddata
 
-x1 = np.array([{x1}])
-x2 = np.array([{x2}])
-z = np.array([{z}])
+x1 = np.array([{x1}])  # noqa: F821
+x2 = np.array([{x2}])  # noqa: F821
+z = np.array([{z}])  # noqa: F821
 x = 0.5 * np.log(x1 / x2)
 y = np.sqrt(x1 * x2)
 
 nrap = 50
 nmass = 50
 
 sym_min = -max(fabs(np.min(x)), fabs(np.max(x)))
-sym_max =  max(fabs(np.min(x)), fabs(np.max(x)))
+sym_max = max(fabs(np.min(x)), fabs(np.max(x)))
 
 xi = np.linspace(sym_min, sym_max, (nrap // 2) * 2 + 1)
 yi = np.logspace(log10(np.min(y)), log10(np.max(y)), nmass)
-zi = griddata((x, y), z, (xi[None, :], yi[:, None]), method='linear', rescale=True)
+zi = griddata(
+    (x, y), z, (xi[None, :], yi[:, None]), method="linear", rescale=True
+)
 
-#print(xi.shape)
-#print(yi.shape)
-#print(zi.shape)
+# print(xi.shape)
+# print(yi.shape)
+# print(zi.shape)
 
 # mask impossible kinematic values
 for iy, ix in np.ndindex(zi.shape):
-    #print(ix, iy)
+    # print(ix, iy)
     x1v = yi[iy] * np.exp(xi[ix])
     x2v = yi[iy] / np.exp(xi[ix])
 
-    #print('y = {{}} m/s = {{}} -> x1 = {{}} x2 = {{}}'.format(xi[ix], yi[iy], x1v, x2v))
+    # print('y = {{}} m/s = {{}} -> x1 = {{}} x2 = {{}}'.format(xi[ix], yi[iy], x1v, x2v))
 
     if x1v > 1.0 or x2v > 1.0:
         zi[iy, ix] = np.nan
 
 figure, axes = plt.subplots(1, 2, constrained_layout=True)
 figure.set_size_inches(10, 5)
 
-mesh = axes[0].pcolormesh(xi, yi, zi, shading='nearest', linewidth=0, snap=True)
-axes[0].scatter(x, y, marker='*', s=5)
-axes[0].set_yscale('log')
-axes[0].set_xlabel(r'$y = 1/2 \log (x_1/x_2)$')
-axes[0].set_ylabel(r'$M/\sqrt{{s}} = \sqrt{{x_1 x_2}}$')
-#axes[0].set_aspect('equal', share=True)
+mesh = axes[0].pcolormesh(xi, yi, zi, shading="nearest", linewidth=0, snap=True)
+axes[0].scatter(x, y, marker="*", s=5)
+axes[0].set_yscale("log")
+axes[0].set_xlabel(r"$y = 1/2 \log (x_1/x_2)$")
+axes[0].set_ylabel(r"$M/\sqrt{{s}} = \sqrt{{x_1 x_2}}$")
+# axes[0].set_aspect('equal', share=True)
 
 x1i = np.logspace(log10(np.min(x1)), log10(np.max(x1)), 50)
 x2i = np.logspace(log10(np.min(x2)), log10(np.max(x2)), 50)
-z12i = griddata((x1, x2), z, (x1i[None, :], x2i[:, None]), method='linear', rescale=True)
-
-mesh = axes[1].pcolormesh(x1i, x2i, z12i, shading='nearest', linewidth=0, snap=True)
-axes[1].set_xscale('log')
-axes[1].set_yscale('log')
-axes[1].scatter(x1, x2, marker='*', s=5)
-axes[1].set_aspect('equal', share=True)
-axes[1].set_xlabel(r'$x_1$')
-axes[1].set_ylabel(r'$x_2$')
-
-figure.colorbar(mesh, ax=axes, extend='min')
-figure.savefig('plot.pdf')
+z12i = griddata(
+    (x1, x2), z, (x1i[None, :], x2i[:, None]), method="linear", rescale=True
+)
+
+mesh = axes[1].pcolormesh(
+    x1i, x2i, z12i, shading="nearest", linewidth=0, snap=True
+)
+axes[1].set_xscale("log")
+axes[1].set_yscale("log")
+axes[1].scatter(x1, x2, marker="*", s=5)
+axes[1].set_aspect("equal", share=True)
+axes[1].set_xlabel(r"$x_1$")
+axes[1].set_ylabel(r"$x_2$")
+
+figure.colorbar(mesh, ax=axes, extend="min")
+figure.savefig("plot.pdf")