diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 74af033..1a3d2f5 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -14,4 +14,4 @@ jobs: with: python-version: '3.12' - name: Run tests - run: uv run python -m pytest + run: uv run --extra test python -m pytest diff --git a/DEVELOPING.md b/DEVELOPING.md new file mode 100644 index 0000000..1df7e4a --- /dev/null +++ b/DEVELOPING.md @@ -0,0 +1,68 @@ +# Developing + +## Environment + +This project uses `uv` for dependency management and local commands. + +Install dependencies into the project environment with: + +```bash +uv sync --extra test --group dev +``` + +If you only need to run a one-off command, you can also use `uv run ...` +without activating the environment. + +## Running Tests + +Run the full test suite with: + +```bash +uv run python -m pytest +``` + +Run a single test file with: + +```bash +uv run python -m pytest tests/test_anemoi_datasets_integration.py +``` + +## Pre-commit + +This repository includes a checked-in +[`.pre-commit-config.yaml`](.pre-commit-config.yaml). +CI runs the same hooks via `.github/workflows/pre-commit.yml`. + +Install the development dependencies first: + +```bash +uv sync --extra test --group dev +``` + +Then run the hooks locally with: + +```bash +pre-commit run --all-files +``` + +You can also install the git hook so checks run before each commit: + +```bash +pre-commit install +``` + +## CA Certificates + +`certifi` is included so that `botocore` and `aiobotocore` use an up-to-date CA +bundle when opening datasets from custom S3 endpoints over HTTPS. + +This matters for the ECMWF object-store endpoint used by the +`anemoi-datasets` integration test: + +- the endpoint certificate chain is valid for standard HTTPS clients +- older bundled CA bundles in `botocore` do not include the required + `HARICA TLS RSA Root CA 2021` root +- when `certifi` is installed, `botocore` uses the `certifi` bundle by default + +The minimum supported version is `certifi>=2021.10.8` because that is the first +`certifi` release we verified to include `HARICA TLS RSA Root CA 2021`. diff --git a/pyproject.toml b/pyproject.toml index b9ef4c2..3b92193 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -9,13 +9,13 @@ description = "Loader package for opening datasets before mlwp-data-specs valida readme = "README.md" requires-python = ">=3.12" dependencies = [ + "xarray", + "loguru", + "fsspec", + "s3fs", + "zarr>2,<3", + "h5netcdf", "mlwp-data-specs", - "xarray>=2024.1.0", - "loguru>=0.7.0", - "fsspec>=2024.2.0", - "s3fs>=2024.2.0", - "zarr>=3.1.5", - "h5netcdf>=1.3.0", ] [tool.isort] @@ -24,6 +24,7 @@ profile = "black" [project.optional-dependencies] test = [ "pytest>=8.0.0", + "certifi>=2021.10.8", ] [project.scripts] @@ -39,4 +40,15 @@ where = ["src"] testpaths = ["tests"] [tool.uv.sources] -mlwp-data-specs = { git = "https://github.com/mlwp-tools/mlwp-data-specs", rev = "1aafd6b" } +mlwp-data-specs = { git = "https://github.com/mlwp-tools/mlwp-data-specs", rev = "3a7529b" } +mxalign = { git = "https://github.com/mlwp-tools/mxalign", rev = "e2232d93275c7508897a7ddb0cce8b508665f24c" } + +[dependency-groups] +dev = [ + "pre-commit>=4.0.0", + "ipython>=9.11.0", + "pytest>=9.0.2", +] +test = [ + "mxalign", +] diff --git a/src/mlwp_data_loaders/cli.py b/src/mlwp_data_loaders/cli.py index 15410a9..77501b0 100644 --- a/src/mlwp_data_loaders/cli.py +++ b/src/mlwp_data_loaders/cli.py @@ -11,10 +11,17 @@ from .api import load_dataset from .core import get_dataset_traits_from_loader +from .mxalign_api import validate_dataset_with_mxalign def build_parser() -> argparse.ArgumentParser: - """Build the CLI argument parser.""" + """Build the CLI argument parser. + + Returns + ------- + argparse.ArgumentParser + The configured argument parser. + """ parser = argparse.ArgumentParser( description=( "Load a dataset through a loader module and validate it with " @@ -44,7 +51,18 @@ def build_parser() -> argparse.ArgumentParser: @logger.catch def main(argv: Sequence[str] | None = None) -> int: - """Run dataset loading and validation from CLI arguments.""" + """Run dataset loading and validation from CLI arguments. + + Parameters + ---------- + argv : Sequence[str] | None, optional + Command line arguments. Defaults to None, which uses sys.argv[1:]. + + Returns + ------- + int + Exit code: 0 for success, 1 for validation failures. + """ parser = build_parser() args = parser.parse_args(argv) @@ -69,11 +87,23 @@ def main(argv: Sequence[str] | None = None) -> int: # Re-run validation to get the report for printing traits = get_dataset_traits_from_loader(args.loader) + + time_profile = traits.get("time_profile") + space_profile = traits.get("space_profile") + uncertainty_profile = traits.get("uncertainty_profile") + report = validate_dataset( ds, - time=traits.get("time_profile"), - space=traits.get("space_profile"), - uncertainty=traits.get("uncertainty_profile"), + time=time_profile, + space=space_profile, + uncertainty=uncertainty_profile, + ) + + report += validate_dataset_with_mxalign( + ds, + time=time_profile, + space=space_profile, + uncertainty=uncertainty_profile, ) report.console_print() diff --git a/src/mlwp_data_loaders/loaders/anemoi/anemoi_datasets.py b/src/mlwp_data_loaders/loaders/anemoi/anemoi_datasets.py index b44b9e0..571b444 100644 --- a/src/mlwp_data_loaders/loaders/anemoi/anemoi_datasets.py +++ b/src/mlwp_data_loaders/loaders/anemoi/anemoi_datasets.py @@ -1,3 +1,5 @@ +from typing import Any + import numpy as np import xarray as xr from loguru import logger @@ -24,7 +26,14 @@ COORDS = dict(longitude="longitudes", latitude="latitudes", valid_time="dates") -def load_dataset(path, chunks="auto", consolidated=False, variables=None): +def load_dataset( + path: str, + chunks: str | dict | None = "auto", + consolidated: bool = False, + variables: str | list[str] | None = None, + storage_options: dict[str, Any] | None = None, + **kwargs: Any, +) -> xr.Dataset: """ Load Anemoi datasets from Zarr files. @@ -32,12 +41,16 @@ def load_dataset(path, chunks="auto", consolidated=False, variables=None): ---------- path : str Path to the Zarr dataset. - chunks : str or dict, default: "auto" + chunks : str or dict or None, default: "auto" Chunk size or strategy for dask arrays. consolidated : bool, default: False Whether to use consolidated metadata when opening the Zarr store. variables : str or list of str, optional List of variables to select from the dataset. If None, all variables are kept. + storage_options : dict of str to Any, optional + Storage options passed to xarray.open_zarr (e.g. for S3 access). + **kwargs + Additional keyword arguments passed to xarray.open_zarr. Returns ------- @@ -46,7 +59,13 @@ def load_dataset(path, chunks="auto", consolidated=False, variables=None): """ variables = [variables] if isinstance(variables, str) else variables - ds = xr.open_zarr(path, consolidated=consolidated, chunks=chunks) # type: ignore + ds = xr.open_zarr( + path, + consolidated=consolidated, + chunks=chunks, + storage_options=storage_options, + **kwargs, + ) # type: ignore ds_postproc = _postprocess(ds) if variables: @@ -65,12 +84,15 @@ def load_dataset(path, chunks="auto", consolidated=False, variables=None): def _postprocess(dataset: xr.Dataset) -> xr.Dataset: """Post-process the dataset to add coordinates and drop unused variables. - Args: - dataset (xr.Dataset): The input dataset to be processed. + Parameters + ---------- + dataset : xr.Dataset + The input dataset to be processed. - Returns: - xr.Dataset: The processed dataset with assigned coordinates and - attributes. + Returns + ------- + xr.Dataset + The processed dataset with assigned coordinates and attributes. """ # Add coordinates @@ -97,4 +119,13 @@ def _postprocess(dataset: xr.Dataset) -> xr.Dataset: .swap_dims({"time": "valid_time"}) .rename({"cell": "grid_index"}) ) + + ds_pruned.coords["valid_time"].attrs["standard_name"] = "time" + ds_pruned.coords["latitude"].attrs.update( + {"standard_name": "latitude", "units": "degrees_north"} + ) + ds_pruned.coords["longitude"].attrs.update( + {"standard_name": "longitude", "units": "degrees_east"} + ) + return ds_pruned # type: ignore diff --git a/src/mlwp_data_loaders/loaders/anemoi/anemoi_inference.py b/src/mlwp_data_loaders/loaders/anemoi/anemoi_inference.py index af7e959..a421734 100644 --- a/src/mlwp_data_loaders/loaders/anemoi/anemoi_inference.py +++ b/src/mlwp_data_loaders/loaders/anemoi/anemoi_inference.py @@ -1,3 +1,5 @@ +from typing import Any + import xarray as xr TIME_PROFILE = "forecast" @@ -5,7 +7,13 @@ UNCERTAINTY_PROFILE = "deterministic" -def load_dataset(paths, chunks="auto", engine="h5netcdf", parallel=True, **kwargs): +def load_dataset( + paths: str | list[str], + chunks: str | dict | None = "auto", + engine: str = "h5netcdf", + parallel: bool = True, + **kwargs: Any, +) -> xr.Dataset: """ Load Anemoi inference datasets from NetCDF/HDF5 files. @@ -13,7 +21,7 @@ def load_dataset(paths, chunks="auto", engine="h5netcdf", parallel=True, **kwarg ---------- paths : str or list of str Path or list of paths to the dataset files. - chunks : str or dict, default: "auto" + chunks : str or dict or None, default: "auto" Chunk size or strategy for dask arrays. engine : str, default: "h5netcdf" Engine to use for reading the files. @@ -54,7 +62,19 @@ def load_dataset(paths, chunks="auto", engine="h5netcdf", parallel=True, **kwarg return ds_out -def _preprocess(ds): +def _preprocess(ds: xr.Dataset) -> xr.Dataset: + """Preprocess individual datasets before concatenation. + + Parameters + ---------- + ds : xr.Dataset + The input dataset to preprocess. + + Returns + ------- + xr.Dataset + The preprocessed dataset with reference time expanded. + """ ds_out = ( ds.set_coords(["longitude", "latitude"]) .expand_dims("reference_time") diff --git a/src/mlwp_data_loaders/mxalign_api.py b/src/mlwp_data_loaders/mxalign_api.py new file mode 100644 index 0000000..fb5c4ec --- /dev/null +++ b/src/mlwp_data_loaders/mxalign_api.py @@ -0,0 +1,102 @@ +"""Helpers for validating datasets with local mxalign property checks.""" + +from __future__ import annotations + +from functools import lru_cache +from typing import Any + +import xarray as xr +from mlwp_data_specs.specs.reporting import ValidationReport + + +@lru_cache(maxsize=1) +def _load_mxalign_validation_symbols() -> dict[str, Any]: + """Load mxalign property validation modules from the installed package. + + Returns + ------- + dict[str, Any] + A dictionary containing the loaded mxalign classes and functions. + + Raises + ------ + ImportError + If the mxalign package is not installed or the required modules cannot be loaded. + """ + try: + from mxalign.properties.properties import Properties, Space, Time, Uncertainty + from mxalign.properties.validation import validate_dataset + except ImportError as e: + raise ImportError(f"mxalign package is not installed: {e}") + + return { + "Properties": Properties, + "Space": Space, + "Time": Time, + "Uncertainty": Uncertainty, + "validate_dataset": validate_dataset, + } + + +def validate_dataset_with_mxalign( + ds: xr.Dataset | xr.DataArray, + *, + time: str | None = None, + space: str | None = None, + uncertainty: str | None = None, +) -> ValidationReport: + """Validate a dataset with mxalign property checks when selectors are known. + + Parameters + ---------- + ds : xr.Dataset | xr.DataArray + The xarray dataset or data array to validate. + time : str | None, optional + The time profile to validate against. + space : str | None, optional + The space profile to validate against. + uncertainty : str | None, optional + The uncertainty profile to validate against. Defaults to "deterministic". + + Returns + ------- + ValidationReport + A validation report object containing the results of the mxalign checks. + """ + report = ValidationReport() + if time is None or space is None: + return report + + try: + mxalign = _load_mxalign_validation_symbols() + except ImportError as e: + report.add( + "MXAlign Properties", + "mxalign.properties.validation", + "WARNING", + f"mxalign not available for validation: {e}", + ) + return report + + properties = mxalign["Properties"]( + time=mxalign["Time"](time), + space=mxalign["Space"](space), + uncertainty=mxalign["Uncertainty"](uncertainty or "deterministic"), + ) + + try: + mxalign["validate_dataset"](ds, properties) + except ValueError as exc: + report.add( + "MXAlign Properties", + "mxalign.properties.validation.validate_dataset", + "FAIL", + str(exc), + ) + else: + report.add( + "MXAlign Properties", + "mxalign.properties.validation.validate_dataset", + "PASS", + ) + return report diff --git a/tests/test_anemoi_datasets_integration.py b/tests/test_anemoi_datasets_integration.py new file mode 100644 index 0000000..f2d027a --- /dev/null +++ b/tests/test_anemoi_datasets_integration.py @@ -0,0 +1,55 @@ +"""Integration tests for the built-in ``anemoi-datasets`` loader.""" + +from __future__ import annotations + +from mlwp_data_specs import validate_dataset + +from mlwp_data_loaders.api import load_dataset +from mlwp_data_loaders.core import get_dataset_traits_from_loader +from mlwp_data_loaders.mxalign_api import validate_dataset_with_mxalign + +# Use small CERRA sample dataset stored on EWC (European Weather Cloud) +# S3-compatible object store for testing. +DATASET_PATH = ( + "s3://mlwp-sample-datasets/anemoi-datasets/" + "cerra-rr-an-oper-0001-mars-5p5km-2017-2017-6h-v3-testing.zarr/" +) +ENDPOINT_URL = "https://object-store.os-api.cci2.ecmwf.int" +LOADER = "mlwp_data_loaders.loaders.anemoi.anemoi_datasets" + + +def test_load_dataset_opens_anemoi_store_from_ewc() -> None: + """The anemoi-datasets loader can open and validate the sample Zarr store.""" + storage_options: dict[str, object] = { + "endpoint_url": ENDPOINT_URL, + "anon": True, + } + + ds = load_dataset( + DATASET_PATH, + loader=LOADER, + storage_options=storage_options, + chunks=None, + ) + + traits = get_dataset_traits_from_loader(LOADER) + + report_mxalign = validate_dataset_with_mxalign( + ds, + time=traits.get("time_profile"), + space=traits.get("space_profile"), + uncertainty=traits.get("uncertainty_profile"), + ) + if report_mxalign.has_fails(): + report_mxalign.console_print() + assert not report_mxalign.has_fails() + + report_specs = validate_dataset( + ds, + time=traits.get("time_profile"), + space=traits.get("space_profile"), + uncertainty=traits.get("uncertainty_profile"), + ) + if report_specs.has_fails(): + report_specs.console_print() + assert not report_specs.has_fails() diff --git a/tests/test_api.py b/tests/test_api.py index 379fae3..c4e7970 100644 --- a/tests/test_api.py +++ b/tests/test_api.py @@ -5,6 +5,7 @@ import pytest import xarray as xr +import mlwp_data_loaders.mxalign_api as mxalign_api from mlwp_data_loaders.api import load_dataset from mlwp_data_loaders.core import get_dataset_traits_from_loader @@ -84,3 +85,37 @@ def test_load_dataset_filters_kwargs(tmp_path, monkeypatch: pytest.MonkeyPatch) assert ds.attrs["chunks"] == "auto" assert "engine" not in ds.attrs + + +def test_validate_dataset_with_mxalign_returns_fail_report_for_invalid_dims( + monkeypatch: pytest.MonkeyPatch, +) -> None: + """mxalign validation failures are converted into report entries.""" + + def mock_load_symbols(): + def mock_validate(ds, props): + raise ValueError("Mock mxalign validation failed") + + return { + "Properties": lambda time, space, uncertainty: "props", + "Space": lambda x: x, + "Time": lambda x: x, + "Uncertainty": lambda x: x, + "validate_dataset": mock_validate, + } + + monkeypatch.setattr( + "mlwp_data_loaders.mxalign_api._load_mxalign_validation_symbols", + mock_load_symbols, + ) + + report = mxalign_api.validate_dataset_with_mxalign( + _forecast_grid_ds(), + time="observation", + space="point", + uncertainty="deterministic", + ) + + assert report.has_fails() + assert len(report.results) == 1 + assert report.results[0].section == "MXAlign Properties" diff --git a/tests/test_cli.py b/tests/test_cli.py index 353f9a1..2d070aa 100644 --- a/tests/test_cli.py +++ b/tests/test_cli.py @@ -47,11 +47,17 @@ def _get_dataset_traits_from_loader(loader): } class _Report: + def __init__(self): + self.fails = False + def console_print(self): return None def has_fails(self): - return False + return self.fails + + def __iadd__(self, other): + return self def _validate_dataset(ds, **kwargs): return _Report() @@ -61,6 +67,9 @@ def _validate_dataset(ds, **kwargs): cli, "get_dataset_traits_from_loader", _get_dataset_traits_from_loader ) monkeypatch.setattr(cli, "validate_dataset", _validate_dataset) + monkeypatch.setattr( + cli, 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