enable macOS and Windows testsuite

.github/pull_request_template.md

@@ -0,0 +1,13 @@
+<!-- What does this implement/fix? Explain your changes here. -->
+
+
+
+# Contributor (creator of pull-request) checklist
+
+ - [ ] Tests updated (for new features and bugfixes)?
+ - [ ] Documentation updated (for new features)?
+ - [ ] Issue referenced (for PRs that solve an issue)?
+
+# Reviewer checklist
+
+ - [ ] CHANGELOG updated with public API or any other important changes?

.github/workflows/tests.yml

@@ -12,14 +12,14 @@ jobs:
     strategy:
       matrix:
         include:
-          # - os: ubuntu-22.04
-          #  python-version: "3.9"
           - os: ubuntu-22.04
+            python-version: "3.9"
+          - os: ubuntu-22.04
+            python-version: "3.12"
+          - os: macos-14
+            python-version: "3.12"
+          - os: windows-2022
             python-version: "3.12"
-          # - os: macos-14
-          #  python-version: "3.12"
-          # - os: windows-2022
-          #  python-version: "3.12"
 
     steps:
     - uses: actions/checkout@v4

src/torchpme/utils/tuning/ewald.py

@@ -96,19 +96,23 @@ def tune_ewald(
     example, fixing the cutoff to 0.1
 
     >>> smearing, parameter, cutoff = tune_ewald(
-    ...     torch.sum(charges**2, dim=0), cell, positions, cutoff=0.1, accuracy=1e-1
+    ...     torch.sum(charges**2, dim=0), cell, positions, cutoff=0.4, accuracy=1e-1
     ... )
 
     You can check the values of the parameters, now the cutoff is fixed
 
-    >>> print(smearing)
-    0.03338293212285428
+    >>> print(round(smearing, 4))
+    0.1402
 
-    >>> print(parameter)
-    {'lr_wavelength': 0.009495381717988971}
+    We can also check the value of the other parameter like the ``lr_wavelength``
+
+    >>> print(round(parameter["lr_wavelength"], 3))
+    0.255
+
+    and finally as requested the value of the cutoff is fixed
 
     >>> print(cutoff)
-    0.1
+    0.4
 
     """
     _validate_parameters(sum_squared_charges, cell, positions, exponent, accuracy)