From b2fc73479765e21f78c5de6f4078b456f59cd033 Mon Sep 17 00:00:00 2001
From: Filippo Bigi <98903385+frostedoyster@users.noreply.github.com>
Date: Wed, 24 Jul 2024 18:12:05 +0200
Subject: [PATCH] Fix tests (#317)

---
 ...model-tests.yml => architecture-tests.yml} | 14 ++++++--
 .github/workflows/gap-tests.yml               | 32 -------------------
 .github/workflows/pet-tests.yml               | 26 ---------------
 .github/workflows/soap-bpnn-tests.yml         | 26 ---------------
 .github/workflows/tests.yml                   |  3 +-
 tox.ini                                       |  4 ++-
 6 files changed, 16 insertions(+), 89 deletions(-)
 rename .github/workflows/{alchemical-model-tests.yml => architecture-tests.yml} (57%)
 delete mode 100644 .github/workflows/gap-tests.yml
 delete mode 100644 .github/workflows/pet-tests.yml
 delete mode 100644 .github/workflows/soap-bpnn-tests.yml

diff --git a/.github/workflows/alchemical-model-tests.yml b/.github/workflows/architecture-tests.yml
similarity index 57%
rename from .github/workflows/alchemical-model-tests.yml
rename to .github/workflows/architecture-tests.yml
index a542ef1f2..ea35f2950 100644
--- a/.github/workflows/alchemical-model-tests.yml
+++ b/.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
diff --git a/.github/workflows/gap-tests.yml b/.github/workflows/gap-tests.yml
deleted file mode 100644
index 055bd3fa4..000000000
--- a/.github/workflows/gap-tests.yml
+++ /dev/null
@@ -1,32 +0,0 @@
-name: GAP tests
-
-on:
-  push:
-    branches: [main]
-  pull_request:
-    # Check all PR
-
-jobs:
-  tests:
-    runs-on: ${{ matrix.os }}
-    strategy:
-      matrix:
-        include:
-          - os: ubuntu-22.04
-            python-version: "3.11"
-
-    steps:
-    - uses: actions/checkout@v4
-
-    - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v5
-      with:
-        python-version: ${{ matrix.python-version }}
-    - run: pip install tox
-
-    - name: run SparseGAP tests
-      run: tox -e gap-tests
-      env:
-        # Use the CPU only version of torch when building/running the code
-        PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu
-
diff --git a/.github/workflows/pet-tests.yml b/.github/workflows/pet-tests.yml
deleted file mode 100644
index d1036accc..000000000
--- a/.github/workflows/pet-tests.yml
+++ /dev/null
@@ -1,26 +0,0 @@
-name: PET tests
-
-on:
-  push:
-    branches: [main]
-  pull_request:
-    # Check all PR
-
-jobs:
-  tests:
-    runs-on: ubuntu-22.04
-
-    steps:
-    - uses: actions/checkout@v4
-
-    - name: Set up Python
-      uses: actions/setup-python@v5
-      with:
-        python-version: "3.12"
-    - run: pip install tox
-
-    - name: run PET tests
-      run: tox -e pet-tests
-      env:
-        # Use the CPU only version of torch when building/running the code
-        PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu
diff --git a/.github/workflows/soap-bpnn-tests.yml b/.github/workflows/soap-bpnn-tests.yml
deleted file mode 100644
index 85cdddbca..000000000
--- a/.github/workflows/soap-bpnn-tests.yml
+++ /dev/null
@@ -1,26 +0,0 @@
-name: SOAP-BPNN tests
-
-on:
-  push:
-    branches: [main]
-  pull_request:
-    # Check all PR
-
-jobs:
-  tests:
-    runs-on: ubuntu-22.04
-
-    steps:
-    - uses: actions/checkout@v4
-
-    - name: Set up Python
-      uses: actions/setup-python@v5
-      with:
-        python-version: "3.12"
-    - run: pip install tox
-
-    - name: run SOAP-BPNN tests
-      run: tox -e soap-bpnn-tests
-      env:
-        # Use the CPU only version of torch when building/running the code
-        PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu
diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml
index 3c7d739f3..2c4db005c 100644
--- a/.github/workflows/tests.yml
+++ b/.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
 
diff --git a/tox.ini b/tox.ini
index 08b7b09dd..45ff107b7 100644
--- a/tox.ini
+++ b/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]