Architecture coverage test

.codecov.yml

@@ -1,8 +1,27 @@
 coverage:
   status:
     project:
-      default:
+      default: false
+      coverage:
         target: 88%
+        paths:
+          - "src/metatrain/utils/.*"
+          - "src/metatrain/cli/.*"
+      coverage_gap:
+        paths:
+          - "src/metatrain/gap/.*"
+      coverage_pet:
+        paths:
+          - "src/metatrain/pet/.*"
+      coverage_soap_bpnn:
+        paths:
+          - "src/metatrain/soap_bpnn/.*"
+      coverage_llpr:
+        paths:
+          - "src/metatrain/llpr/.*"
+      coverage_nanopet:
+        paths:
+          - "src/metatrain/deprecated/nanopet/.*"
     patch:
       default:
         informational: true
@@ -11,13 +30,6 @@ coverage:
     - "tests/.*"
     - "examples/.*"
     - "src/metatrain/utils/testing/.*"
-    # we don't check coverage for the architectures
-    - "src/metatrain/deprecated/.*"
-    - "src/metatrain/experimental/.*"
-    - "src/metatrain/gap/.*"
-    - "src/metatrain/pet/.*"
-    - "src/metatrain/soap_bpnn/.*"
-    - "src/metatrain/llpr/.*"
     # we don't currently run distributed tests on CI
     - "src/metatrain/utils/distributed/.*"
 

.github/workflows/architecture-tests.yml

@@ -28,10 +28,21 @@ jobs:
       uses: actions/setup-python@v6
       with:
         python-version: "3.13"
-    - run: pip install tox
+    - run: pip install tox coverage[toml]
 
-    - name: run architecture tests
-      run: tox -e ${{ matrix.architecture-name }}-tests
+    - name: run architecture tests and generate coverage
+      run: |
+        coverage erase
+        coverage run --source src/metatrain \
+          $(which tox) -e ${{ matrix.architecture-name }}-tests
       env:
         # Use the CPU only version of torch when building/running the code
         PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu
+
+    - name: upload to codecov.io
+      uses: codecov/codecov-action@v5
+      with:
+        fail_ci_if_error: false
+        files: .coverage
+        flags: coverage_${{ matrix.architecture-name }}
+        token: ${{ secrets.CODECOV_TOKEN }}

docs/src/architectures/gap.rst

@@ -3,6 +3,8 @@
 GAP
 ===
 
+[![GAP coverage](https://codecov.io/gh/metatensor/metatrain/branch/main/graph/badge.svg?flag=coverage_gap)](https://codecov.io/gh/metatensor/metatrain/tree/main/src/metatrain/gap)
+
 This is an implementation of the sparse Gaussian Approximation Potential
 (GAP) :footcite:p:`bartok_representing_2013` using Smooth Overlap of Atomic Positions
 (SOAP) :footcite:p:`bartok_gaussian_2010` implemented in `featomic <FEATOMIC_>`_.

docs/src/architectures/llpr.rst

@@ -3,6 +3,8 @@
 LLPR
 ====
 
+[![LLPR coverage](https://codecov.io/gh/metatensor/metatrain/branch/main/graph/badge.svg?flag=coverage_llpr)](https://codecov.io/gh/metatensor/metatrain/tree/main/src/metatrain/llpr)
+
 The LLPR architecture is a "wrapper" architecture that enables cheap uncertainty
 quantification (UQ) via the last-layer prediction rigidity (LLPR) approach proposed
 by Bigi et al. :footcite:p:`bigi_mlst_2024` It is compatible with the following

docs/src/architectures/nanopet.rst

@@ -3,6 +3,8 @@
 NanoPET (deprecated)
 ======================
 
+[![NanoPET coverage](https://codecov.io/gh/metatensor/metatrain/branch/main/graph/badge.svg?flag=coverage_nanopet)](https://codecov.io/gh/metatensor/metatrain/tree/main/src/metatrain/deprecated/nanopet)
+
 .. warning::
 
   This is an **deprecated model**. You should not use it for anything important, and

docs/src/architectures/pet.rst

@@ -3,6 +3,8 @@
 PET
 ===
 
+[![PET coverage](https://codecov.io/gh/metatensor/metatrain/branch/main/graph/badge.svg?flag=coverage_pet)](https://codecov.io/gh/metatensor/metatrain/tree/main/src/metatrain/pet)
+
 PET is a cleaner, more user-friendly reimplementation of the original
 PET model :footcite:p:`pozdnyakov_smooth_2023`. It is designed for better
 modularity and maintainability, while preseving compatibility with the original

docs/src/architectures/soap-bpnn.rst

@@ -3,6 +3,8 @@
 SOAP-BPNN
 =========
 
+[![SOAP-BPNN coverage](https://codecov.io/gh/metatensor/metatrain/branch/main/graph/badge.svg?flag=coverage_soap_bpnn)](https://codecov.io/gh/metatensor/metatrain/tree/main/src/metatrain/soap_bpnn)
+
 This is a Behler-Parrinello type neural network :footcite:p:`behler_generalized_2007`,
 which, instead of their original atom-centered symmetry functions, we use the Smooth
 overlap of atomic positions (SOAP) :footcite:p:`bartok_representing_2013` as the atomic

tox.ini

@@ -10,6 +10,7 @@ envlist =
     soap-bpnn-tests
     pet-tests
     nanopet-tests
+    llpr-tests
 
 [testenv]
 package = editable
@@ -112,7 +113,6 @@ commands =
     python -m pip install --no-build-isolation sphericart torch-spex>=0.1,<0.2 wigners cmake
     pytest {posargs}
 
-
 [testenv:pet-tests]
 description = Run PET tests with pytest
 passenv = *
@@ -144,13 +144,13 @@ changedir = src/metatrain/deprecated/nanopet/tests/
 commands =
     pytest {posargs}
 
-[testenv:llpr]
+[testenv:llpr-tests]
 description = Run LLPR tests with pytest
 passenv = *
 deps =
     pytest
 extras = llpr
-changedir = src/metatrain/experimental/llpr/tests/
+changedir = src/metatrain/llpr/tests/
 commands =
     pytest {posargs}