reorganize tests

.github/workflows/gh-ci.yaml

@@ -113,6 +113,72 @@ jobs:
         name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
         verbose: True
 
+  lammps-tests:
+    needs: environment-config
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Build information
+        run: |
+          uname -a
+          df -h
+          ulimit -a
+
+      # More info on options: https://github.com/conda-incubator/setup-miniconda
+      - name: Install conda dependencies
+        uses: conda-incubator/setup-miniconda@v2
+        with:
+          python-version: "3.12"
+          environment-file: devtools/conda-envs/test_env.yaml
+          add-pip-as-python-dependency: true
+
+          channels: conda-forge, defaults
+
+          activate-environment: imdreader-integration-test
+          auto-update-conda: true
+          auto-activate-base: false
+          show-channel-urls: true
+          miniconda-version: latest
+
+
+      - name: Install MDAnalysis version
+        uses: MDAnalysis/install-mdanalysis@main
+        with:
+          version: "2.7.0"
+          install-tests: true
+          installer: conda
+          shell: bash -l {0} 
+
+      - name: Python information
+        run: |
+          which python
+          which pip
+          pip list
+          conda info
+          conda list
+
+      - name: Clone lammps fork
+        uses: actions/checkout@v4
+        with:
+          repository: ljwoods2/lammps
+          ref: imd-v3
+          path: lammps
+
+      - name: Build lammps
+        run: |
+          cd lammps
+          mkdir build
+          cd build
+          cmake ../cmake/ -D PKG_MISC=yes
+          cmake --build .
+          make install
+          lmp -h
+
+      - name: Run lammps tests
+        run: |
+          pytest -n auto -v --color=yes imdclient/tests/test_lammps.py
+
 
   pylint_check:
     needs: environment-config
@@ -165,3 +231,5 @@ jobs:
         test -n "${DISTRIBUTION}" || { echo "no distribution dist/imdclient-*.tar.gz found"; exit 1; }
         echo "twine check $DISTRIBUTION"
         twine check $DISTRIBUTION
+
+