Merge pull request #474 from MC-kit/devel

Change pyproject.toml to Poetry 2.0 format

Author: dvp2015

.github/constraints.txt

@@ -1,3 +1,3 @@
 pip==24.3.1
-poetry==1.8.4
+poetry==2.0.0
 

.pre-commit-config.yaml

@@ -24,18 +24,22 @@ repos:
     rev: "v5.0.0"
     hooks:
       - id: check-added-large-files
+        exclude: poetry.lock
       - id: check-ast
       - id: check-case-conflict
       - id: check-executables-have-shebangs
       - id: check-json
         exclude: notebooks
       - id: check-merge-conflict
+        exclude: \.rst$
       - id: check-shebang-scripts-are-executable
         exclude: notebooks  # jupytext creates python scripts with shebangs but without permissions
       - id: check-symlinks
       - id: check-toml
       - id: check-yaml
       - id: debug-statements
+      - id: destroyed-symlinks
+      - id: detect-private-key
       - id: end-of-file-fixer
         exclude: data|.ipynb$|^\.
       - id: name-tests-test
@@ -57,7 +61,7 @@ repos:
       - id: remove-tabs
 
   - repo: https://github.com/pre-commit/pre-commit
-    rev: v4.0.1
+    rev: v4.1.0
     hooks:
       - id: validate_manifest
 
@@ -68,6 +72,11 @@ repos:
       - id: pydocstringformatter
         exclude: _parser\.py$|_tab\.py|extern
 
+  - repo: https://github.com/fredrikaverpil/creosote
+    rev: v4.0.0
+    hooks:
+      - id: creosote
+
   - repo: local
     hooks:
       # Upgrade Python code
@@ -111,15 +120,15 @@ repos:
       #   exclude: ^notebooks|^extern
 
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.8.4
+    rev: v0.9.4
     hooks:
       - id: ruff
         exclude: ^notebooks|^extern
       - id: ruff-format
         exclude: ^notebooks|^extern|ipynb$
 
   - repo: https://github.com/python-poetry/poetry
-    rev: "1.8.0"
+    rev: "2.0.1"
     hooks:
     - id: poetry-check
     - id: poetry-lock

README.rst

@@ -1,7 +1,8 @@
 ==============================================================================
-*xpypact*: FISPACT output to Polars or DuckDB converter
+*xpypact*: FISPACT output to Polars or DuckDB datasets converter
 ==============================================================================
 
+Aggregate results of `FISPACT <https://fispact.ukaea.uk/>`_ runs to efficient datasets.
 
 
 |Maintained| |License| |Versions| |PyPI| |Docs|
@@ -16,26 +17,22 @@
 Description
 -----------
 
-The module loads FISPACT JSON output files and converts to Polars dataframes
-with minor data normalization.
-This allows efficient data extraction and aggregation.
-Multiple JSON files can be combined using simple additional identification for different
-FISPACT runs. So far we use just two-dimensional identification by material
-and case. The case usually identifies certain neutron flux.
+The module loads FISPACT JSON output files and converts to `Polars <https://pola.rs/>`_ dataframes
+with minor data normalization. The dataframes can be stored either to `parquet <https://parquet.apache.org>`_
+files or `DuckDb <https://duckdb.org/>`_ database.
+This allows efficient data aggregation and analysis.
+**Multiple** JSON files for different
+FISPACT runs can be combined using simple additional identification.
+So far, we use just two-dimensional identification by material
+and *case*. The *case* usually identifies certain neutron flux energy distribution.
 
 
 Implemented functionality
 -------------------------
 
 - export to DuckDB
 - export to parquet files
-
-.. note::
-
-    Currently available FISPACT v.5 API uses rather old python version (3.6).
-    That prevents direct use of their API in our package (>=3.10).
-    Check if own python integration with FISPACT is reasonable and feasible.
-    Or provide own FISPACT python binding.
+- neutron flux presentation conversion
 
 
 Installation
@@ -165,16 +162,13 @@ Contributing
 .. image:: https://codecov.io/gh/MC-kit/xpypact/branch/master/graph/badge.svg?token=P6DPGSWM94
    :target: https://codecov.io/gh/MC-kit/xpypact
    :alt: Coverage
-.. image:: https://img.shields.io/badge/code%20style-black-000000.svg
-   :target: https://github.com/psf/black
-.. image:: https://img.shields.io/badge/%20imports-isort-%231674b1?style=flat&labelColor=ef8336
-   :target: https://pycqa.github.io/isort/
 .. image:: https://img.shields.io/badge/pre--commit-enabled-brightgreen?logo=pre-commit&logoColor=white
    :target: https://github.com/pre-commit/pre-commit
    :alt: pre-commit
-.. image:: https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/charliermarsh/ruff/main/assets/badge/v1.json
-   :target: https://github.com/charliermarsh/ruff
-   :alt: linter
+.. image:: https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/charliermarsh/ruff/main/assets/badge/v2.json
+   :target: https://github.com/astral-sh/ruff
+   :alt: linter & style
+
 
 Just follow ordinary practice:
 
@@ -185,13 +179,15 @@ Just follow ordinary practice:
 References
 ----------
 
-.. note::
-
-    add references to FISPACT, pypact and used tools:  poetry etc
+    - `FISPACT <https://fispact.ukaea.uk/>`_
+    - `FISPACT-II tools (including pypact) repositories <https://github.com/fispact>`_
+    - `FISPACT at NEA/OECD <https://oecd-nea.org/tools/abstract/detail/NEA-1890>`_
+    - `FISPACT introduction <https://indico.ictp.it/event/7994/session/5/contribution/24/material/slides/0.pdf>`_
 
 
 .. Substitutions
 
+
 .. |Maintained| image:: https://img.shields.io/badge/Maintained%3F-yes-green.svg
    :target: https://github.com/MC-kit/xpypact/graphs/commit-activity
 .. |Tests| image:: https://github.com/MC-kit/xpypact/workflows/Tests/badge.svg

benchmarks/test_inventory.py

@@ -14,6 +14,8 @@
 from xpypact.inventory import from_json
 
 if TYPE_CHECKING:
+    from collections.abc import Callable
+
     from xpypact.inventory import Inventory
 
 EXPECTED_TIME_STEPS = 65
@@ -23,7 +25,7 @@
     AG_1_TEXT = fid.read().decode("utf-8")
 
 
-def test_load_from_string(benchmark) -> None:
+def test_load_from_string(benchmark: Callable) -> None:
     """Loading from string."""
     inventory: Inventory = benchmark(from_json, AG_1_TEXT)
     assert len(inventory.inventory_data) == EXPECTED_TIME_STEPS