diff --git a/.github/workflows/deploy.yml b/.github/workflows/deploy.yml
index f132c4553..50964b64c 100644
--- a/.github/workflows/deploy.yml
+++ b/.github/workflows/deploy.yml
@@ -32,7 +32,7 @@ jobs:
       run: |
         cp .ci_support/environment-old.yml environment.yml
         python .ci_support/release.py; cat pyproject.toml
-        git update-index --assume-unchanged pyproject.toml structuretoolkit/_version.py
+        git update-index --assume-unchanged pyproject.toml src/structuretoolkit/_version.py
         hatchling build -t sdist -t wheel
     - name: Publish distribution 📦 to PyPI
       uses: pypa/gh-action-pypi-publish@release/v1
diff --git a/.github/workflows/pipeline.yml b/.github/workflows/pipeline.yml
index 2a1fc7208..fd5b3e3ac 100644
--- a/.github/workflows/pipeline.yml
+++ b/.github/workflows/pipeline.yml
@@ -13,7 +13,7 @@ jobs:
     - uses: psf/black@stable
       with:
         options: "--check --diff"
-        src: ./${{ github.event.repository.name }}
+        src: ./src/${{ github.event.repository.name }}
 
   black_fix:  # in most cases pre-commit is faster
     needs: [black]
@@ -29,7 +29,7 @@ jobs:
       uses: psf/black@stable
       with:
         options: ""
-        src: "./${{ github.event.repository.name }}"
+        src: "./src/${{ github.event.repository.name }}"
     - name: commit
       run: |
         git config --local user.email "pyiron@mpie.de"
diff --git a/pyproject.toml b/pyproject.toml
index fe9cc604f..27b1e9bfb 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -106,22 +106,22 @@ ignore = [
 ]
 
 [tool.hatch.build.hooks.vcs]
-version-file = "structuretoolkit/_version.py"
+version-file = "src/structuretoolkit/_version.py"
 
 [tool.hatch.build.targets.sdist]
 include = [
-    "structuretoolkit"
+    "src/structuretoolkit"
 ]
 
 [tool.hatch.build.targets.wheel]
 packages = [
-    "structuretoolkit"
+    "src/structuretoolkit"
 ]
 
 [tool.hatch.version]
 source = "vcs"
-path = "structuretoolkit/_version.py"
+path = "src/structuretoolkit/_version.py"
 
 [tool.coverage.run]
-omit = ["structuretoolkit/_version.py", "tests/*"]
+source = ["structuretoolkit"]
 command_line = "-m unittest discover tests"
diff --git a/structuretoolkit/__init__.py b/src/structuretoolkit/__init__.py
similarity index 100%
rename from structuretoolkit/__init__.py
rename to src/structuretoolkit/__init__.py
diff --git a/structuretoolkit/_version.py b/src/structuretoolkit/_version.py
similarity index 100%
rename from structuretoolkit/_version.py
rename to src/structuretoolkit/_version.py
diff --git a/structuretoolkit/analyse/__init__.py b/src/structuretoolkit/analyse/__init__.py
similarity index 100%
rename from structuretoolkit/analyse/__init__.py
rename to src/structuretoolkit/analyse/__init__.py
diff --git a/structuretoolkit/analyse/distance.py b/src/structuretoolkit/analyse/distance.py
similarity index 100%
rename from structuretoolkit/analyse/distance.py
rename to src/structuretoolkit/analyse/distance.py
diff --git a/structuretoolkit/analyse/dscribe.py b/src/structuretoolkit/analyse/dscribe.py
similarity index 100%
rename from structuretoolkit/analyse/dscribe.py
rename to src/structuretoolkit/analyse/dscribe.py
diff --git a/structuretoolkit/analyse/neighbors.py b/src/structuretoolkit/analyse/neighbors.py
similarity index 100%
rename from structuretoolkit/analyse/neighbors.py
rename to src/structuretoolkit/analyse/neighbors.py
diff --git a/structuretoolkit/analyse/phonopy.py b/src/structuretoolkit/analyse/phonopy.py
similarity index 100%
rename from structuretoolkit/analyse/phonopy.py
rename to src/structuretoolkit/analyse/phonopy.py
diff --git a/structuretoolkit/analyse/pyscal.py b/src/structuretoolkit/analyse/pyscal.py
similarity index 100%
rename from structuretoolkit/analyse/pyscal.py
rename to src/structuretoolkit/analyse/pyscal.py
diff --git a/structuretoolkit/analyse/snap.py b/src/structuretoolkit/analyse/snap.py
similarity index 100%
rename from structuretoolkit/analyse/snap.py
rename to src/structuretoolkit/analyse/snap.py
diff --git a/structuretoolkit/analyse/spatial.py b/src/structuretoolkit/analyse/spatial.py
similarity index 100%
rename from structuretoolkit/analyse/spatial.py
rename to src/structuretoolkit/analyse/spatial.py
diff --git a/structuretoolkit/analyse/strain.py b/src/structuretoolkit/analyse/strain.py
similarity index 100%
rename from structuretoolkit/analyse/strain.py
rename to src/structuretoolkit/analyse/strain.py
diff --git a/structuretoolkit/analyse/symmetry.py b/src/structuretoolkit/analyse/symmetry.py
similarity index 100%
rename from structuretoolkit/analyse/symmetry.py
rename to src/structuretoolkit/analyse/symmetry.py
diff --git a/structuretoolkit/build/__init__.py b/src/structuretoolkit/build/__init__.py
similarity index 100%
rename from structuretoolkit/build/__init__.py
rename to src/structuretoolkit/build/__init__.py
diff --git a/structuretoolkit/build/aimsgb.py b/src/structuretoolkit/build/aimsgb.py
similarity index 100%
rename from structuretoolkit/build/aimsgb.py
rename to src/structuretoolkit/build/aimsgb.py
diff --git a/structuretoolkit/build/compound.py b/src/structuretoolkit/build/compound.py
similarity index 100%
rename from structuretoolkit/build/compound.py
rename to src/structuretoolkit/build/compound.py
diff --git a/structuretoolkit/build/mesh.py b/src/structuretoolkit/build/mesh.py
similarity index 100%
rename from structuretoolkit/build/mesh.py
rename to src/structuretoolkit/build/mesh.py
diff --git a/structuretoolkit/build/sqs.py b/src/structuretoolkit/build/sqs.py
similarity index 100%
rename from structuretoolkit/build/sqs.py
rename to src/structuretoolkit/build/sqs.py
diff --git a/structuretoolkit/build/surface.py b/src/structuretoolkit/build/surface.py
similarity index 100%
rename from structuretoolkit/build/surface.py
rename to src/structuretoolkit/build/surface.py
diff --git a/structuretoolkit/common/__init__.py b/src/structuretoolkit/common/__init__.py
similarity index 100%
rename from structuretoolkit/common/__init__.py
rename to src/structuretoolkit/common/__init__.py
diff --git a/structuretoolkit/common/error.py b/src/structuretoolkit/common/error.py
similarity index 100%
rename from structuretoolkit/common/error.py
rename to src/structuretoolkit/common/error.py
diff --git a/structuretoolkit/common/helper.py b/src/structuretoolkit/common/helper.py
similarity index 100%
rename from structuretoolkit/common/helper.py
rename to src/structuretoolkit/common/helper.py
diff --git a/structuretoolkit/common/phonopy.py b/src/structuretoolkit/common/phonopy.py
similarity index 100%
rename from structuretoolkit/common/phonopy.py
rename to src/structuretoolkit/common/phonopy.py
diff --git a/structuretoolkit/common/pymatgen.py b/src/structuretoolkit/common/pymatgen.py
similarity index 100%
rename from structuretoolkit/common/pymatgen.py
rename to src/structuretoolkit/common/pymatgen.py
diff --git a/structuretoolkit/common/pyscal.py b/src/structuretoolkit/common/pyscal.py
similarity index 100%
rename from structuretoolkit/common/pyscal.py
rename to src/structuretoolkit/common/pyscal.py
diff --git a/structuretoolkit/visualize.py b/src/structuretoolkit/visualize.py
similarity index 100%
rename from structuretoolkit/visualize.py
rename to src/structuretoolkit/visualize.py