Add typechecking workflows and add type annotations

.github/workflows/ci.yml

@@ -81,3 +81,25 @@ jobs:
         with:
           name: Integration test report
           path: ${{ matrix.os }}_integration_test_report.html
+  typechecking:
+    name: mypy
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+      - name: Setup Conda and parcels
+        uses: ./.github/actions/install-parcels
+        with:
+          environment-file: environment.yml
+      - run: conda install lxml # dep for report generation
+      - name: Typechecking
+        run: |
+          mypy --install-types --non-interactive parcels --cobertura-xml-report mypy_report
+      - name: Upload mypy coverage to Codecov
+        uses: codecov/codecov-action@v3.1.1
+        if: ${{ always() }} # Upload even on error of mypy
+        with:
+          token: ${{ secrets.CODECOV_TOKEN }}
+          file: mypy_report/cobertura.xml
+          flags: mypy
+          fail_ci_if_error: false

.pre-commit-config.yaml

@@ -24,3 +24,16 @@ repos:
     rev: v0.4.0
     hooks:
       - id: biome-format
+
+  # Ruff doesn't have full coverage of pydoclint https://github.com/astral-sh/ruff/issues/12434
+  - repo: https://github.com/PyCQA/flake8
+    rev: 7.0.0
+    hooks:
+      - id: flake8
+        name: pydoclint
+        files: 'none'
+        # files: parcels/fieldset.py # put here instead of in config file due to https://github.com/pre-commit/pre-commit-hooks/issues/112#issuecomment-215613842
+        args:
+        - --select=DOC103 # TODO: Expand coverage to other codes
+        additional_dependencies:
+          - pydoclint[flake8]

README.md

@@ -1,7 +1,7 @@
 ## Parcels
 
 [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/OceanParcels/parcels/master?labpath=docs%2Fexamples%2Fparcels_tutorial.ipynb)
-[![unit-tests](https://github.com/OceanParcels/parcels/actions/workflows/unit-tests.yml/badge.svg)](https://github.com/OceanParcels/parcels/actions/workflows/unit-tests.yml)
+[![unit-tests](https://github.com/OceanParcels/parcels/actions/workflows/ci.yml/badge.svg)](https://github.com/OceanParcels/parcels/actions/workflows/ci.yml)
 [![codecov](https://codecov.io/gh/OceanParcels/parcels/branch/master/graph/badge.svg)](https://codecov.io/gh/OceanParcels/parcels)
 [![Anaconda-release](https://anaconda.org/conda-forge/parcels/badges/version.svg)](https://anaconda.org/conda-forge/parcels/)
 [![Anaconda-date](https://anaconda.org/conda-forge/parcels/badges/latest_release_date.svg)](https://anaconda.org/conda-forge/parcels/)

environment.yml

@@ -33,10 +33,14 @@ dependencies:
   - pytest-html
   - coverage
 
+  # Typing
+  - mypy
+  - types-tqdm
+  - types-psutil
+
+
   # Linting
-  - flake8>=2.1.0
   - pre_commit
-  - pydocstyle
 
   # Docs
   - ipython

parcels/_typing.py

@@ -0,0 +1,46 @@
+"""
+Typing support for Parcels.
+
+This module contains type aliases used throughout Parcels as well as functions that are
+used for runtime parameter validation (to ensure users are only using the right params).
+
+"""
+
+import ast
+import datetime
+import os
+from typing import Any, Callable, Literal, get_args
+
+
+class ParcelsAST(ast.AST):
+    ccode: str
+
+
+# InterpMethod = InterpMethodOption | dict[str, InterpMethodOption] # (can also be a dict, search for `if type(interp_method) is dict`)
+# InterpMethodOption = Literal[
+#     "nearest",
+#     "freeslip",
+#     "partialslip",
+#     "bgrid_velocity",
+#     "bgrid_w_velocity",
+#     "cgrid_velocity",
+#     "linear_invdist_land_tracer",
+#     "nearest",
+#     "cgrid_tracer",
+# ] # mostly corresponds with `interp_method` # TODO: This should be narrowed. Unlikely applies to every context
+PathLike = str | os.PathLike
+Mesh = Literal["spherical", "flat"]  # mostly corresponds with `mesh`
+VectorType = Literal["3D", "2D"] | None  # mostly corresponds with `vector_type`
+ChunkMode = Literal["auto", "specific", "failsafe"]  # mostly corresponds with `chunk_mode`
+GridIndexingType = Literal["pop", "mom5", "mitgcm", "nemo"]  # mostly corresponds with `grid_indexing_type`
+UpdateStatus = Literal["not_updated", "first_updated", "updated"]  # mostly corresponds with `update_status`
+TimePeriodic = float | datetime.timedelta | Literal[False]  # mostly corresponds with `update_status`
+
+KernelFunction = Callable[..., None]
+
+
+def ensure_is_literal_value(value: Any, literal: Any) -> None:
+    """Ensures that a value is a valid option for the provided Literal type annotation."""
+    valid_options = get_args(literal)
+    if value not in valid_options:
+        raise ValueError(f"{value!r} is not a valid option. Valid options are {valid_options}")

parcels/compilation/codegenerator.py

@@ -410,7 +410,7 @@ class KernelGenerator(ABC, ast.NodeVisitor):
 
     # Intrinsic variables that appear as function arguments
     kernel_vars = ["particle", "fieldset", "time", "output_time", "tol"]
-    array_vars = []
+    array_vars: list[str] = []
 
     def __init__(self, fieldset=None, ptype=JITParticle):
         self.fieldset = fieldset
@@ -419,7 +419,7 @@ def __init__(self, fieldset=None, ptype=JITParticle):
         self.vector_field_args = collections.OrderedDict()
         self.const_args = collections.OrderedDict()
 
-    def generate(self, py_ast, funcvars):
+    def generate(self, py_ast, funcvars: list[str]):
         # Replace occurrences of intrinsic objects in Python AST
         transformer = IntrinsicTransformer(self.fieldset, self.ptype)
         py_ast = transformer.visit(py_ast)
@@ -434,7 +434,7 @@ def generate(self, py_ast, funcvars):
         # Insert variable declarations for non-intrinsic variables
         # Make sure that repeated variables are not declared more than
         # once. If variables occur in multiple Kernels, give a warning
-        used_vars = []
+        used_vars: list[str] = []
         funcvars_copy = copy(funcvars)  # editing a list while looping over it is dangerous
         for kvar in funcvars:
             if kvar in used_vars + ["particle_dlon", "particle_dlat", "particle_ddepth"]:

parcels/interaction/interactionkernel.py

@@ -36,7 +36,7 @@ def __init__(
         py_ast=None,
         funcvars=None,
         c_include="",
-        delete_cfiles=True,
+        delete_cfiles: bool = True,
     ):
         if MPI is not None and MPI.COMM_WORLD.Get_size() > 1:
             raise NotImplementedError(

parcels/tools/converters.py

@@ -2,10 +2,12 @@
 import inspect
 from datetime import timedelta
 from math import cos, pi
+from typing import Any
 
 import cftime
 import numpy as np
 import xarray as xr
+from numpy.typing import ArrayLike, NDArray
 
 __all__ = [
     "UnitConverter",
@@ -20,7 +22,7 @@
 ]
 
 
-def convert_to_flat_array(var):
+def convert_to_flat_array(var: list[float] | float | int | NDArray[Any] | ArrayLike) -> NDArray[Any]:
     """Convert lists and single integers/floats to one-dimensional numpy arrays
 
     Parameters
@@ -167,8 +169,8 @@ def __le__(self, other):
 class UnitConverter:
     """Interface class for spatial unit conversion during field sampling that performs no conversion."""
 
-    source_unit = None
-    target_unit = None
+    source_unit: str | None = None
+    target_unit: str | None = None
 
     def to_target(self, value, x, y, z):
         return value

parcels/tools/global_statics.py

@@ -8,7 +8,7 @@
     from os import getuid
 except:
     # Windows does not have getuid(), so define to simply return 'tmp'
-    def getuid():
+    def getuid():  # type: ignore
         return "tmp"
 
 

parcels/tools/interpolation_utils.py

@@ -1,25 +1,28 @@
+from typing import Callable, Literal
+
 import numpy as np
 
-__all__ = []
+from parcels._typing import Mesh
 
+__all__ = []  # type: ignore
 
-# fmt: off
-def phi1D_lin(xsi):
-    phi = [1-xsi,
-           xsi]
 
+def phi1D_lin(xsi: float) -> list[float]:
+    phi = [1 - xsi, xsi]
     return phi
 
 
-def phi1D_quad(xsi):
+# fmt: off
+def phi1D_quad(xsi: float) -> list[float]:
     phi = [2*xsi**2-3*xsi+1,
            -4*xsi**2+4*xsi,
            2*xsi**2-xsi]
 
     return phi
 
 
-def phi2D_lin(xsi, eta):
+
+def phi2D_lin(xsi: float, eta: float) -> list[float]:
     phi = [(1-xsi) * (1-eta),
               xsi  * (1-eta),
               xsi  *    eta ,
@@ -28,7 +31,7 @@ def phi2D_lin(xsi, eta):
     return phi
 
 
-def phi3D_lin(xsi, eta, zet):
+def phi3D_lin(xsi: float, eta: float, zet: float) -> list[float]:
     phi = [(1-xsi) * (1-eta) * (1-zet),
               xsi  * (1-eta) * (1-zet),
               xsi  *    eta  * (1-zet),
@@ -41,7 +44,7 @@ def phi3D_lin(xsi, eta, zet):
     return phi
 
 
-def dphidxsi3D_lin(xsi, eta, zet):
+def dphidxsi3D_lin(xsi: float, eta: float, zet: float) -> tuple[list[float], list[float], list[float]]:
     dphidxsi = [ - (1-eta) * (1-zet),
                    (1-eta) * (1-zet),
                    (  eta) * (1-zet),
@@ -70,7 +73,9 @@ def dphidxsi3D_lin(xsi, eta, zet):
     return dphidxsi, dphideta, dphidzet
 
 
-def dxdxsi3D_lin(hexa_x, hexa_y, hexa_z, xsi, eta, zet, mesh):
+def dxdxsi3D_lin(
+    hexa_x: list[float], hexa_y: list[float], hexa_z: list[float], xsi: float, eta: float, zet: float, mesh: Mesh
+) -> tuple[float, float, float, float, float, float, float, float, float]:
     dphidxsi, dphideta, dphidzet = dphidxsi3D_lin(xsi, eta, zet)
 
     if mesh == 'spherical':
@@ -99,16 +104,29 @@ def dxdxsi3D_lin(hexa_x, hexa_y, hexa_z, xsi, eta, zet, mesh):
     return dxdxsi, dxdeta, dxdzet, dydxsi, dydeta, dydzet, dzdxsi, dzdeta, dzdzet
 
 
-def jacobian3D_lin(hexa_x, hexa_y, hexa_z, xsi, eta, zet, mesh):
+def jacobian3D_lin(
+    hexa_x: list[float], hexa_y: list[float], hexa_z: list[float], xsi: float, eta: float, zet: float, mesh: Mesh
+) -> float:
     dxdxsi, dxdeta, dxdzet, dydxsi, dydeta, dydzet, dzdxsi, dzdeta, dzdzet = dxdxsi3D_lin(hexa_x, hexa_y, hexa_z, xsi, eta, zet, mesh)
 
-    jac = dxdxsi * (dydeta*dzdzet - dzdeta*dydzet)\
-        - dxdeta * (dydxsi*dzdzet - dzdxsi*dydzet)\
-        + dxdzet * (dydxsi*dzdeta - dzdxsi*dydeta)
+    jac = (
+        dxdxsi * (dydeta * dzdzet - dzdeta * dydzet)
+        - dxdeta * (dydxsi * dzdzet - dzdxsi * dydzet)
+        + dxdzet * (dydxsi * dzdeta - dzdxsi * dydeta)
+    )
     return jac
 
 
-def jacobian3D_lin_face(hexa_x, hexa_y, hexa_z, xsi, eta, zet, orientation, mesh):
+def jacobian3D_lin_face(
+    hexa_x: list[float],
+    hexa_y: list[float],
+    hexa_z: list[float],
+    xsi: float,
+    eta: float,
+    zet: float,
+    orientation: Literal["zonal", "meridional", "vertical"],
+    mesh: Mesh,
+) -> float:
     dxdxsi, dxdeta, dxdzet, dydxsi, dydeta, dydzet, dzdxsi, dzdeta, dzdzet = dxdxsi3D_lin(hexa_x, hexa_y, hexa_z, xsi, eta, zet, mesh)
 
     if orientation == 'zonal':
@@ -128,7 +146,7 @@ def jacobian3D_lin_face(hexa_x, hexa_y, hexa_z, xsi, eta, zet, orientation, mesh
     return jac
 
 
-def dphidxsi2D_lin(xsi, eta):
+def dphidxsi2D_lin(xsi: float, eta: float) -> tuple[list[float], list[float]]:
     dphidxsi = [-(1-eta),
                   1-eta,
                     eta,
@@ -141,7 +159,12 @@ def dphidxsi2D_lin(xsi, eta):
     return dphidxsi, dphideta
 
 
-def dxdxsi2D_lin(quad_x, quad_y, xsi, eta,):
+def dxdxsi2D_lin(
+    quad_x,
+    quad_y,
+    xsi: float,
+    eta: float,
+):
     dphidxsi, dphideta = dphidxsi2D_lin(xsi, eta)
 
     dxdxsi = np.dot(quad_x, dphidxsi)
@@ -152,20 +175,21 @@ def dxdxsi2D_lin(quad_x, quad_y, xsi, eta,):
     return dxdxsi, dxdeta, dydxsi, dydeta
 
 
-def jacobian2D_lin(quad_x, quad_y, xsi, eta):
+def jacobian2D_lin(quad_x, quad_y, xsi: float, eta: float):
     dxdxsi, dxdeta, dydxsi, dydeta = dxdxsi2D_lin(quad_x, quad_y, xsi, eta)
 
-    jac = dxdxsi*dydeta - dxdeta*dydxsi
+    jac = dxdxsi * dydeta - dxdeta * dydxsi
     return jac
 
 
 def length2d_lin_edge(quad_x, quad_y, ids):
     xe = [quad_x[ids[0]], quad_x[ids[1]]]
     ye = [quad_y[ids[0]], quad_y[ids[1]]]
-    return np.sqrt((xe[1]-xe[0])**2+(ye[1]-ye[0])**2)
+    return np.sqrt((xe[1] - xe[0]) ** 2 + (ye[1] - ye[0]) ** 2)
 
 
-def interpolate(phi, f, xsi):
+def interpolate(phi: Callable[[float], list[float]], f: list[float], xsi: float) -> float:
     return np.dot(phi(xsi), f)
 
+
 # fmt: on

parcels/tools/loggers.py

@@ -40,10 +40,10 @@ def info_once(self, message, *args, **kws):
 logger.addHandler(handler)
 
 logging.addLevelName(warning_once_level, "WARNING")
-logging.Logger.warning_once = warning_once
+logging.Logger.warning_once = warning_once  # type: ignore
 
 logging.addLevelName(info_once_level, "INFO")
-logging.Logger.info_once = info_once
+logging.Logger.info_once = info_once  # type: ignore
 
 dup_filter = DuplicateFilter()
 logger.addFilter(dup_filter)

parcels/tools/timer.py

@@ -6,7 +6,7 @@
 except ModuleNotFoundError:
     MPI = None
 
-__all__ = []
+__all__ = []  # type: ignore
 
 
 class Timer:

pyproject.toml

@@ -121,3 +121,25 @@ ignore = [
 
 [tool.ruff.lint.pydocstyle]
 convention = "numpy"
+
+[tool.mypy]
+files = [
+  "parcels/compilation/codegenerator.py",
+  "parcels/_typing.py",
+  "parcels/tools/*.py",
+  "parcels/grid.py",
+]
+
+[[tool.mypy.overrides]]
+module = [
+    "parcels._version_setup",
+    "mpi4py",
+    "scipy.spatial",
+    "sklearn.cluster",
+    "zarr",
+    "cftime",
+    "pykdtree.kdtree",
+    "netCDF4",
+    "cgen"
+]
+ignore_missing_imports = true