moving to scikit-build-core

Everything is now working as intended.
We can build a wheel and install it.
This required quite a bit of cmake codes
to handle installations of the sources.
And scikit-build-core did not have the sufficient
details for f2py handling, so I had to create my own.

Signed-off-by: Nick Papior <nickpapior@gmail.com>

.github/workflows/codeql/config.yml

@@ -4,5 +4,4 @@ queries:
   - uses: security-and-quality
 
 paths:
-  - toolbox
-  - sisl
+  - src

.github/workflows/documentation_ghpages.yaml

@@ -58,7 +58,7 @@ jobs:
       - name: Install sisl + documentation dependencies
         run: |
           python -m pip install --upgrade pip
-          python -m pip install Cython
+          python -m pip install Cython scikit-build
           python -m pip install -r docs/requirements.txt
           python -m pip install .[viz]
 

.github/workflows/test.yaml

@@ -79,7 +79,7 @@ jobs:
     - name: Install sisl + dependencies
       run: |
         python -m pip install --upgrade pip
-        python -m pip install Cython
+        python -m pip install Cython scikit-build
         python -m pip install -r ci/requirements.txt -r ci/requirements-viz.txt -r requirements.txt
         python -m pip install -vvv .
 

.gitignore

@@ -7,12 +7,14 @@ build
 *.so
 *.c
 __config__.py
+
 docs/build
-docs/api-generated
+docs/*/generated/
 docs/sisl
-sisl.egg-info
-sisl/io/siesta/_siesta.so
-sisl/**/*.html
-sisl/_version.py
+
+*/sisl.egg-info
+src/sisl/**/*.html
+src/sisl/_version.py
+
 .ipynb_checkpoints/
 .vscode/

CHANGELOG.md

@@ -38,6 +38,9 @@ we hit release version 1.0.0.
 - Geometry.swapaxes and SuperCell.swapaxes, these are now more versatile by
 	allowing multiple swaps in a single run, #539
 - deprecated `set_sc`
+- internal build-system is changed to `scikit-build`, the `distutils` will be
+  deprecated in Python>=3.12 so it was a needed change.
+  This resulted in a directory restructuring
 
 
 ### Fixed