Install packages required for CI checks.

.github/workflows/requirements-test.in

@@ -0,0 +1,6 @@
+h5py
+matplotlib
+numpy
+rtoml
+scipy
+signac

.github/workflows/requirements-test.txt

@@ -1,6 +1,45 @@
-h5py==3.10.0
-gsd==3.2.1
-numpy==1.26.4
-PyYAML==6.0.1
+# This file was autogenerated by uv via the following command:
+#    uv pip compile requirements-test.in
+contourpy==1.2.1
+    # via matplotlib
+cycler==0.12.1
+    # via matplotlib
+filelock==3.15.4
+    # via signac
+fonttools==4.53.1
+    # via matplotlib
+h5py==3.11.0
+    # via -r requirements-test.in
+kiwisolver==1.4.5
+    # via matplotlib
+matplotlib==3.9.2
+    # via -r requirements-test.in
+numpy==2.1.0
+    # via
+    #   -r requirements-test.in
+    #   contourpy
+    #   h5py
+    #   matplotlib
+    #   scipy
+packaging==24.1
+    # via
+    #   matplotlib
+    #   signac
+pillow==10.4.0
+    # via matplotlib
+pyparsing==3.1.2
+    # via matplotlib
+python-dateutil==2.9.0.post0
+    # via matplotlib
+rtoml==0.11.0
+    # via -r requirements-test.in
+scipy==1.14.1
+    # via -r requirements-test.in
 signac==2.2.0
-signac-flow==0.28.0
+    # via -r requirements-test.in
+six==1.16.0
+    # via python-dateutil
+synced-collections==1.0.0
+    # via signac
+tqdm==4.66.5
+    # via signac

.github/workflows/test.yaml

@@ -1,4 +1,4 @@
-name: test
+name: Unit test
 
 concurrency:
   group: ${{ github.workflow }}-${{ github.ref }}

hoomd_validation/custom_actions.py

@@ -5,30 +5,35 @@
 
 try:
     import hoomd
-except ModuleNotFoundError as e:
-    print(f"Warning: {e}")
 
-class ComputeDensity(hoomd.custom.Action):
-    """Compute the density of particles in the system.
+    class ComputeDensity(hoomd.custom.Action):
+        """Compute the density of particles in the system.
+
+        The density computed is a number density.
 
-    The density computed is a number density.
+        Args:
+            N: When not None, Use N instead of the number of particles when
+               computing the density.
+        """
 
-    Args:
-        N: When not None, Use N instead of the number of particles when
-           computing the density.
-    """
+        def __init__(self, N=None):
+            self.N = N
 
-    def __init__(self, N=None):
-        self.N = N
+        @hoomd.logging.log
+        def density(self):
+            """float: The density of the system."""
+            if self.N is None:
+                return self._state.N_particles / self._state.box.volume
 
-    @hoomd.logging.log
-    def density(self):
-        """float: The density of the system."""
-        if self.N is None:
-            return self._state.N_particles / self._state.box.volume
+            return self.N / self._state.box.volume
 
-        return self.N / self._state.box.volume
+        def act(self, timestep):
+            """Dummy act method."""
+            pass
+except ModuleNotFoundError as e:
+    print(f"Warning: {e}")
 
-    def act(self, timestep):
-        """Dummy act method."""
+    # This workaround is to allow `python project.py init` to succeed in CI checks
+    # without requiring a working HOOMD installation.
+    class ComputeDensity:
         pass