updated requirements

Author: salvadorblasco

pyproject.toml

@@ -8,7 +8,9 @@ readme = "README.md"
 # packages = [{ include = "libeq", from = "src" }]
 requires-python = ">= 3.10"
 dependencies = [
- "numpy", "pandas"
+ "numpy",
+ "pandas",
+ "pydantic>=2.12.5",
 ]
 
 [tool.setuptools.packages.find]

requirements.txt

@@ -1,9 +1,33 @@
 # This file was autogenerated by uv via the following command:
-#    uv export --format requirements.txt
-numpy==2.2.6 ; python_full_version < '3.11' 
+#    uv export --no-hashes --format requirements-txt
+annotated-types==0.7.0
+    # via pydantic
+numpy==2.2.6 ; python_full_version < '3.11'
+    # via
+    #   libeq
+    #   pandas
 numpy==2.3.4 ; python_full_version >= '3.11'
-pandas==2.3.3 
-python-dateutil==2.9.0.post0 
-pytz==2025.2 
-six==1.17.0 
-tzdata==2025.2 
+    # via
+    #   libeq
+    #   pandas
+pandas==2.3.3
+    # via libeq
+pydantic==2.12.5
+    # via libeq
+pydantic-core==2.41.5
+    # via pydantic
+python-dateutil==2.9.0.post0
+    # via pandas
+pytz==2025.2
+    # via pandas
+six==1.17.0
+    # via python-dateutil
+typing-extensions==4.15.0
+    # via
+    #   pydantic
+    #   pydantic-core
+    #   typing-inspection
+typing-inspection==0.4.2
+    # via pydantic
+tzdata==2025.2
+    # via pandas

src/libeq/outer_fixed_point/wrappers.py

@@ -86,10 +86,7 @@ def unwrapped(concentration, **kwargs):
                 log_ks,
             )
 
-        def wrapper(
-            concentration,
-            **kwargs,
-        ):
+        def wrapper(concentration, **kwargs):
             if independent_component_activity is not None:
                 transposed_activity = independent_component_activity[:, np.newaxis]
             else:
@@ -237,7 +234,6 @@ def _select_species_concentration(c, n_components, n_species):
 def _update_formation_constants(
     log_beta, ionic_strength, ref_ionic_strength, dbh_values
 ):
-    # breakpoint()
     cis = np.tile(ionic_strength, ref_ionic_strength.shape[0])
     radqcis = np.sqrt(cis)
     fib2 = radqcis / (1 + (dbh_values["bdh"] * radqcis))