# This is a combination of 16 commits.

# This is the 1st commit message:

Add Ridge class for linear models.

# This is the commit message #2:

Reduce the number of combinations tested on CI (#5)

# This is the commit message #3:

add standard scaler with tests

# This is the commit message #4:

small fixes, added TODOs to linear model

# This is the commit message #5:

format example and other files

# This is the commit message #6:

add tensor map to pickable dictionary object

# This is the commit message #7:

format example and other files

# This is the commit message #8:

Added tests

# This is the commit message #9:

skeleton for ridge test

# This is the commit message #10:

Added a shape test for Ridge + more utils

# This is the commit message #11:

fix type to int

# This is the commit message #12:

Added numerically stable solver

# This is the commit message #13:

Add tests for ridge solver: vs exact results

# This is the commit message #14:

Add test: Infinite regularization + predict

# This is the commit message #15:

changing temporray TensorMap  member variables to dicts to allow saving of model as torchscript

# This is the commit message #16:

Add test: consistent scaling of weights

.github/workflows/docs.yml

@@ -11,11 +11,16 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-    - uses: actions/checkout@v2
+    - uses: actions/checkout@v3
+    - name: Set up rust
+      uses: actions-rs/toolchain@v1
+      with:
+        profile: minimal
+        toolchain: stable
     - name: Set up Python
-      uses: actions/setup-python@v2
+      uses: actions/setup-python@v4
       with:
-        python-version: 3.8
+        python-version: "3.10"
     - run: pip install tox
 
     - name: Build docs

.github/workflows/lint.yml

@@ -12,9 +12,9 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-    - uses: actions/checkout@v2
+    - uses: actions/checkout@v3
     - name: Set up Python
-      uses: actions/setup-python@v2
+      uses: actions/setup-python@v4
       with:
         python-version: 3.8
     - run: pip install tox

.github/workflows/tests.yml

@@ -8,23 +8,32 @@ on:
 
 jobs:
   tests:
+    runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        platform: [ubuntu-20.04, macos-11, windows-2022]
+        os: ['ubuntu-20.04']
         python-version: ['3.6', '3.7', '3.8', '3.9', '3.10', '3.11']
-    runs-on: ${{ matrix.platform }}
+        include:
+          - os: macos-11
+            python-version: '3.10'
+          - os: windows-2022
+            python-version: '3.10'
+
     steps:
-    - uses: actions/checkout@v2
+    - uses: actions/checkout@v3
 
     - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v2
+      uses: actions/setup-python@v4
       with:
         python-version: ${{ matrix.python-version }}
     - run: pip install tox
 
-    - name: Test Python unittests
+    - name: run Python tests
       run: tox -e tests
 
+    - name: try building Python wheel and sdist
+      run: tox -e build
+
     # - name: Upload coverage to Codecov
     #   uses: codecov/codecov-action@v2
     #   with:

docs/.gitignore

@@ -0,0 +1 @@
+examples

docs/src/conf.py

@@ -19,7 +19,7 @@
 
 # -- Project information -----------------------------------------------------
 project = 'equisolve'
-copyright = 'All source code is available under the MIT License'
+copyright = 'All source code is available under the BSD3 License'
 author = equisolve.__authors__
 version = equisolve.__version__
 
@@ -28,17 +28,18 @@
 # Add any Sphinx extension module names here, as strings.
 extensions = [
     'sphinx.ext.autodoc', # import the modules you are documenting
-    'sphinx.ext.viewcode', # tries to find the source files where the objects are contained
     'sphinx.ext.intersphinx', # generate links to the documentation of objects in external projects
-    'sphinx.ext.mathjax', # Render math via JavaScript
-    'sphinx.ext.napoleon', # Support for NumPy and Google style docstrings
-    'nbsphinx', # provides a source parser for *.ipynb files
+    "sphinx_gallery.gen_gallery", # provides a source parser for *.ipynb files
 ]
 
-# Execute the notebooks
-nbsphinx_execute = 'always'
-nbsphinx_allow_errors = False  # Fail if there are errors in notebook
-exclude_patterns = ['_build', '**.ipynb_checkpoints']
+sphinx_gallery_conf = {
+    "filename_pattern": "/*",
+    "examples_dirs": ["../../examples"],
+    "gallery_dirs": ["examples"],
+    "min_reported_time": 60,
+    "reference_url": {"equisolve": None},
+    "prefer_full_module": ["equisolve"],
+}
 
 # Add any paths that contain templates here, relative to this directory.
 templates_path = ['_templates']
@@ -185,5 +186,5 @@
                        'https://docs.scipy.org/doc/scipy/': None,
                        'https://numpy.org/doc/stable/': None,
                        'https://lab-cosmo.github.io/equistore/latest/': None,
-                       'https://luthaf.fr/rascaline/latest/index.html': None,
+                       'https://luthaf.fr/rascaline/latest/': None,
                        }

docs/src/how-to/index.rst

@@ -0,0 +1,9 @@
+.. _userdoc-how-to:
+
+How-to guides
+=============
+
+.. toctree::
+    :maxdepth: 1
+
+    ../examples/linear-model

docs/src/index.rst

@@ -2,3 +2,8 @@ Overview of Equisolve's Documentation
 =====================================
 
 TBD
+
+.. toctree::
+   :hidden:
+
+   how-to/index