Add unittests

.ci_support/environment-notebooks.yml

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+channels:
+- conda-forge
+dependencies:
+- jupyter
+- papermill
+- pyiron-data =0.0.30
+- pyiron_atomistics =0.6.13
+- lammps =2024.02.07=*_openmpi_*
+- sphinxdft =3.1

.ci_support/environment.yml

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+channels:
+- conda-forge
+dependencies:
+- h5io_browser =0.1.2
+- pint =0.24.3

.github/workflows/integration.yml

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+name: Integrationtests
+
+on:
+  push:
+    branches: [ main ]
+  pull_request:
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v4
+    - name: Conda config
+      shell: bash -l {0}
+      run: echo -e "channels:\n  - conda-forge\n" > .condarc
+    - name: Setup Mambaforge
+      uses: conda-incubator/setup-miniconda@v3
+      with:
+        python-version: "3.12"
+        miniforge-version: latest
+        condarc-file: .condarc
+        environment-file: .ci_support/environment-notebooks.yml
+    - name: Test
+      shell: bash -l {0}
+      timeout-minutes: 5
+      run: |
+        pip install .
+        papermill notebooks/lammps.ipynb lammps_out.ipynb -k python3
+        papermill notebooks/sphinxdft.ipynb sphinxdft_out.ipynb -k python3

.github/workflows/unittests.yml

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+name: Unittests
+
+on:
+  push:
+    branches: [ main ]
+  pull_request:
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v4
+    - name: Conda config
+      shell: bash -l {0}
+      run: echo -e "channels:\n  - conda-forge\n" > .condarc
+    - name: Setup Mambaforge
+      uses: conda-incubator/setup-miniconda@v3
+      with:
+        python-version: "3.12"
+        miniforge-version: latest
+        condarc-file: .condarc
+        environment-file: .ci_support/environment.yml
+    - name: Test
+      shell: bash -l {0}
+      timeout-minutes: 5
+      run: |
+        pip install .
+        python -m unittest discover tests