Persist execution context in storage target

docs/pangeo_forge_recipes/development/release_notes.md

@@ -1,5 +1,11 @@
 # Release Notes
 
+## v0.9.1 - Unreleased
+
+- Persist Pangeo Forge execution context metadata in target datasets. This information, which includes
+the `pangeo-forge-recipes` version as well as recipe and input hashes, attaches execution provenance
+to the dataset itself. {pull}`359`
+
 ## v0.9 - 2022-05-11
 
 - **Breaking changes:** Deprecated `XarrayZarrRecipe` manual stage methods. Manual execution can be

docs/pangeo_forge_recipes/recipe_user_guide/execution.md

@@ -91,3 +91,26 @@ with beam.Pipeline() as p:
 
 By default the pipeline runs using Beam's [DirectRunner](https://beam.apache.org/documentation/runners/direct/).
 See [runners](https://beam.apache.org/documentation/#runners) for more.
+
+
+## Execution context
+
+All Pangeo Forge {doc}`recipes` contain a `.get_execution_context()` method which returns the
+following metadata:
+
+```{code-block} python
+{
+    "pangeo-forge:version": "{pangeo_forge_recipes version installed at time of execution}"
+    "pangeo-forge:recipe_hash": "{recipe hash as returned by `recipe.sha256()`}"
+    "pangeo-forge:inputs_hash": "{file pattern hash as returned by `recipe.file_pattern.sha256()`}"
+}
+```
+
+Each recipe class defines where to store this metadata:
+
+- `XarrayZarrRecipe`: Added to Zarr group attributes, and therefore also available via the
+`xarray.Dataset.attrs` when opening Zarr stores with xarray.
+- `HDFReferenceRecipe`:
+
+The execution context metadata which is persisted in the target dataset is used for tracking
+dataset provenance.

pangeo_forge_recipes/recipes/base.py

@@ -4,6 +4,8 @@
 from dataclasses import dataclass, field, replace
 from typing import Callable, ClassVar
 
+import pkg_resources  # type: ignore
+
 from ..executors.base import Pipeline
 from ..patterns import FilePattern, prune_pattern
 from ..serialization import dataclass_sha256
@@ -50,6 +52,14 @@ def to_beam(self):
     def sha256(self):
         return dataclass_sha256(self, ignore_keys=self._hash_exclude_)
 
+    def get_execution_context(self):
+        return dict(
+            # See https://stackoverflow.com/a/2073599 re: version
+            version=pkg_resources.require("pangeo-forge-recipes")[0].version,
+            recipe_hash=self.sha256().hex(),
+            inputs_hash=self.file_pattern.sha256().hex(),
+        )
+
 
 RecipeCompiler = Callable[[BaseRecipe], Pipeline]
 

pangeo_forge_recipes/recipes/xarray_zarr.py

@@ -577,6 +577,10 @@ def filter_init_chunks(chunk_key):
         recipe_meta = {"input_sequence_lens": input_sequence_lens}
         config.storage_config.metadata[_GLOBAL_METADATA_KEY] = recipe_meta
 
+    zgroup = zarr.open_group(config.target_mapper)
+    for k, v in config.get_execution_context().items():
+        zgroup.attrs[f"pangeo-forge:{k}"] = v
+
 
 def store_chunk(chunk_key: ChunkKey, *, config: XarrayZarrRecipe) -> None:
     if config.storage_config.target is None:

setup.cfg

@@ -55,7 +55,7 @@ max-line-length = 100
 
 [isort]
 known_first_party=pangeo_forge_recipes
-known_third_party=aiohttp,apache_beam,click,dask,fsspec,kerchunk,mypy_extensions,numpy,pandas,prefect,pytest,pytest_lazyfixture,setuptools,xarray,yaml,zarr
+known_third_party=aiohttp,apache_beam,click,dask,fsspec,kerchunk,mypy_extensions,numpy,packaging,pandas,pkg_resources,prefect,pytest,pytest_lazyfixture,setuptools,xarray,yaml,zarr
 multi_line_output=3
 include_trailing_comma=True
 force_grid_wrap=0

tests/recipe_tests/test_XarrayZarrRecipe.py

@@ -21,6 +21,17 @@
 from pangeo_forge_recipes.storage import MetadataTarget, StorageConfig
 
 
+def drop_execution_context_attrs(ds: xr.Dataset) -> xr.Dataset:
+    """Drop pangeo-forge execution context attrs from a dataset."""
+
+    ds_copy = ds.copy(deep=True)
+    to_drop = [k for k in ds_copy.attrs if k.startswith("pangeo-forge:")]
+    for k in to_drop:
+        del ds_copy.attrs[k]
+
+    return ds_copy
+
+
 def make_netCDFtoZarr_recipe(
     file_pattern, xarray_dataset, target, cache, metadata, extra_kwargs=None
 ):
@@ -120,7 +131,7 @@ def test_recipe(recipe_fixture, execute_recipe):
     rec = RecipeClass(file_pattern, **kwargs)
     execute_recipe(rec)
     ds_actual = xr.open_zarr(target.get_mapper()).load()
-    xr.testing.assert_identical(ds_actual, ds_expected)
+    xr.testing.assert_identical(drop_execution_context_attrs(ds_actual), ds_expected)
 
 
 @pytest.mark.parametrize("get_mapper_from", ["storage_config", "target", "target_mapper"])
@@ -139,7 +150,7 @@ def test_recipe_default_storage(recipe_fixture, execute_recipe, get_mapper_from)
     elif get_mapper_from == "target_mapper":
         mapper = rec.target_mapper
     ds_actual = xr.open_zarr(mapper).load()
-    xr.testing.assert_identical(ds_actual, ds_expected)
+    xr.testing.assert_identical(drop_execution_context_attrs(ds_actual), ds_expected)
 
 
 @pytest.mark.parametrize("recipe_fixture", all_recipes)
@@ -150,7 +161,7 @@ def test_recipe_with_references(recipe_fixture, execute_recipe):
     rec = RecipeClass(file_pattern, open_input_with_kerchunk=True, **kwargs)
     execute_recipe(rec)
     ds_actual = xr.open_zarr(target.get_mapper()).load()
-    xr.testing.assert_identical(ds_actual, ds_expected)
+    xr.testing.assert_identical(drop_execution_context_attrs(ds_actual), ds_expected)
 
 
 @pytest.mark.parametrize("recipe_fixture", all_recipes)
@@ -195,7 +206,7 @@ def test_recipe_caching_copying(recipe, execute_recipe, cache_inputs, copy_input
     )
     execute_recipe(rec)
     ds_actual = xr.open_zarr(target.get_mapper()).load()
-    xr.testing.assert_identical(ds_actual, ds_expected)
+    xr.testing.assert_identical(drop_execution_context_attrs(ds_actual), ds_expected)
 
 
 # function passed to preprocessing
@@ -228,7 +239,7 @@ def test_process(recipe_fixture, execute_recipe, process_input, process_chunk):
         assert not ds_actual.identical(ds_expected)
         ds_expected = incr_date(ds_expected)
 
-    xr.testing.assert_identical(ds_actual, ds_expected)
+    xr.testing.assert_identical(drop_execution_context_attrs(ds_actual), ds_expected)
 
 
 def do_actual_chunks_test(
@@ -303,7 +314,7 @@ def do_actual_chunks_test(
     for dim in ds_actual.dims:
         assert store[dim].chunks == ds_actual[dim].shape
 
-    xr.testing.assert_identical(ds_actual, ds_expected)
+    xr.testing.assert_identical(drop_execution_context_attrs(ds_actual), ds_expected)
 
 
 @pytest.mark.parametrize("inputs_per_chunk,subset_inputs", [(1, {}), (1, {"time": 2}), (2, {})])
@@ -376,7 +387,7 @@ def test_no_consolidate_dimension_coordinates(netCDFtoZarr_recipe):
     rec.consolidate_dimension_coordinates = False
     rec.to_function()()
     ds_actual = xr.open_zarr(target.get_mapper()).load()
-    xr.testing.assert_identical(ds_actual, ds_expected)
+    xr.testing.assert_identical(drop_execution_context_attrs(ds_actual), ds_expected)
 
     store = zarr.open_consolidated(target.get_mapper())
     assert store["time"].chunks == (file_pattern.nitems_per_input["time"],)
@@ -399,7 +410,7 @@ def test_consolidate_dimension_coordinates_with_coordinateless_dimension(
     rec = RecipeClass(file_pattern, **kwargs)
     rec.to_function()()
     ds_actual = xr.open_zarr(target.get_mapper()).load()
-    xr.testing.assert_identical(ds_actual, ds_expected)
+    xr.testing.assert_identical(drop_execution_context_attrs(ds_actual), ds_expected)
 
 
 def test_lock_timeout(netCDFtoZarr_recipe_sequential_only, execute_recipe_no_dask):

tests/recipe_tests/test_execution_context.py

@@ -0,0 +1,29 @@
+import pytest
+import xarray as xr
+import zarr
+from packaging import version
+
+from pangeo_forge_recipes.recipes import XarrayZarrRecipe
+
+
+@pytest.mark.parametrize("recipe_cls", [XarrayZarrRecipe])  # HDFReferenceRecipe])
+def test_execution_context(recipe_cls, netcdf_local_file_pattern_sequential):
+
+    recipe = recipe_cls(netcdf_local_file_pattern_sequential)
+    ec = recipe.get_execution_context()
+
+    ec_version = version.parse(ec["version"])
+    assert ec_version.is_devrelease  # should be True for editable installs used in tests
+    assert isinstance(ec_version.major, int) and 0 <= ec_version.major <= 1
+    assert isinstance(ec_version.minor, int) and 0 <= ec_version.major <= 99
+
+    assert isinstance(ec["recipe_hash"], str) and len(ec["recipe_hash"]) == 64
+    assert isinstance(ec["inputs_hash"], str) and len(ec["inputs_hash"]) == 64
+
+    recipe.to_function()()
+    zgroup = zarr.open_group(recipe.target_mapper)
+    ds = xr.open_zarr(recipe.target_mapper, consolidated=True)
+
+    for k, v in ec.items():
+        assert zgroup.attrs[f"pangeo-forge:{k}"] == v
+        assert ds.attrs[f"pangeo-forge:{k}"] == v