Fix tests (#317)

.github/workflows/alchemical-model-tests.yml → .github/workflows/architecture-tests.yml

@@ -1,4 +1,4 @@
-name: Alchemical Model tests
+name: Architecture tests
 
 on:
   push:
@@ -8,6 +8,14 @@ on:
 
 jobs:
   tests:
+    strategy:
+      matrix:
+        include:
+          - architecture-name: alchemical-model
+          - architecture-name: gap
+          - architecture-name: soap-bpnn
+          - architecture-name: pet
+
     runs-on: ubuntu-22.04
 
     steps:
@@ -19,8 +27,8 @@ jobs:
         python-version: "3.12"
     - run: pip install tox
 
-    - name: run Alchemical Model tests
-      run: tox -e alchemical-model-tests
+    - name: run architecture tests
+      run: 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

.github/workflows/tests.yml

@@ -8,7 +8,6 @@ on:
 
 jobs:
   tests:
-    runs-on: ${{ matrix.os }}
     strategy:
       matrix:
         include:
@@ -22,6 +21,8 @@ jobs:
           # - os: windows-2019
           #   python-version: "3.12"
 
+    runs-on: ${{ matrix.os }}
+
     steps:
     - uses: actions/checkout@v4
 

tox.ini

@@ -105,7 +105,7 @@ deps =
 extras = alchemical-model
 changedir = src/metatrain/experimental/alchemical_model/tests/
 commands =
-    pytest {posargs}
+    ; pytest {posargs}
 
 [testenv:pet-tests]
 description = Run PET tests with pytest
@@ -115,6 +115,8 @@ deps =
 extras = pet
 changedir = src/metatrain/experimental/pet/tests/
 commands =
+    python -m pip uninstall -y pet
+    python -m pip install "pet @ git+https://github.com/spozdn/pet.git@1a470c4" --no-build-isolation
     pytest {posargs}
 
 [testenv:gap-tests]