diff --git a/pyproject.toml b/pyproject.toml
index 591b8aa3..4ffc7ef8 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -26,7 +26,7 @@ dependencies = [
     "aiida-core>=2.4.3,<3.0.0",
     "aiida-quantumespresso~=4.4",
     "aiida-pseudo~=1.0",
-    "aiida-cp2k~=2.0",
+    "aiida-cp2k>=2.1.0b0,<3.0.0",
     "ase~=3.21",
     "aiida-gaussian~=2.0",
     "pillow>=8.0.0",