python 3.8 only

.github/workflows/flare.yml

@@ -16,7 +16,7 @@ jobs:
       matrix:
         omp: [OFF, ON]
         lapack: [OFF, ON]
-        python-version: ["3.7", "3.8"]
+        python-version: ["3.8"]
     name: "(OpenMP, Lapack, Python) ="
 
     # The type of runner that the job will run on
@@ -63,16 +63,6 @@ jobs:
         cd ctests
         ./tests
 
-    - name: Pip install
-      run: |
-        pip install -U codecov pytest pytest-cov pytest_mock Sphinx sphinx-rtd-theme breathe nbsphinx
-        pip install -r requirements.txt
-
-    - name: Run tests
-      run: |
-        cd tests
-        pytest
-
     - name: Install LAMMPS
       run: |
         git clone --depth 1 https://github.com/lammps/lammps.git lammps
@@ -100,16 +90,21 @@ jobs:
         cmake ../cmake -DPKG_KOKKOS=ON -DKokkos_ENABLE_OPENMP=ON -DPKG_MANYBODY=ON
         make -j4
 
+    - name: Pip install
+      run: |
+        pip install -U codecov pytest pytest-cov pytest_mock Sphinx sphinx-rtd-theme breathe nbsphinx
+        pip install -r requirements.txt
+
     - name: Patch ASE
       run: |
         ase_file="$(dirname $(python3 -c 'import ase; print(ase.__file__)'))/calculators/lammpsrun.py"
         sed -i 's/line.startswith(_custom_thermo_mark)/line.strip\(\).startswith\("Step"\)/g' $ase_file
 
-    - name: Run LAMMPS tests
+    - name: Run tests
       run: |
         export lmp=$(pwd)/lammps/build/lmp
         cd tests
-        pytest test_lammps.py
+        pytest
 
     - name: Run LAMMPS tests with Kokkos
       run: |
@@ -165,4 +160,4 @@ jobs:
 #         # Run script
 #         pytest -s tuttest.py
 #         # Remove output files
-#         rm Al* aspirin_dft.npz tutorial.ipynb tuttest.py tutorial.py tutorial.txt
+#         rm Al* aspirin_dft.npz tutorial.ipynb tuttest.py tutorial.py tutorial.txt