Use pyproject.toml to install utilix (#126)

* Use `pyproject.toml` to install utilix

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Remove usage of setup.py

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Minor change

* Add utilix authors

* To include all files in `utilix` folder

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

.bumpversion.cfg

@@ -1,5 +1,9 @@
 [bumpversion]
 current_version = 0.8.5
-files = setup.py utilix/__init__.py
+files = utilix/__init__.py
 commit = True
 tag = True
+
+[bumpversion:file:pyproject.toml]
+search = version = "{current_version}"
+replace = version = "{new_version}"

.github/workflows/pypi.yml

@@ -17,9 +17,9 @@ jobs:
       - name: Checkout repo
         uses: actions/checkout@v2
       - name: Install dependencies
-        run: pip install wheel
+        run: pip install build
       - name: Build package
-        run: python setup.py sdist bdist_wheel
+        run: python -m build
       # Do the publish
       - name: Publish a Python distribution to PyPI
         # Might want to add but does not work on workflow_dispatch :

.github/workflows/test_package.yml

@@ -26,7 +26,9 @@ jobs:
       - name: Install python dependencies
         uses: py-actions/py-dependency-install@v2
       - name: Install utilix
-        run: python setup.py install
+        run: |
+          pip install pytest hypothesis coverage coveralls
+          pip install . --force-reinstall
       - name: Install pytest and hypothesis
         run: pip install pytest hypothesis flake8 pytest-cov
       - name: Test package

.pre-commit-config.yaml

@@ -20,6 +20,8 @@ repos:
     rev: v1.7.5
     hooks:
     -   id: docformatter
+        additional_dependencies: [tomli]
+        args: [--config, pyproject.toml]
 
 -   repo: https://github.com/pre-commit/mirrors-mypy
     rev: v1.11.2

pyproject.toml

@@ -0,0 +1,48 @@
+[tool]
+[tool.poetry]
+name = "utilix"
+version = "0.8.5"
+description = "User-friendly interface to various utilities for XENON users"
+readme = "README.md"
+authors = [
+  "utilix developers",
+]
+classifiers = [
+  "Development Status :: 5 - Production/Stable",
+  "License :: OSI Approved :: BSD License",
+  "Natural Language :: English",
+  "Programming Language :: Python :: 3.8",
+  "Programming Language :: Python :: 3.9",
+  "Intended Audience :: Science/Research",
+  "Programming Language :: Python :: Implementation :: CPython",
+  "Topic :: Scientific/Engineering :: Physics",
+]
+repository = "https://github.com/XENONnT/utilix"
+packages = [
+    { include = "utilix" }
+]
+
+[tool.poetry.dependencies]
+python = ">=3.8,<3.13"
+pymongo = "*"
+requests = "*"
+tqdm = "*"
+pandas = "*"
+commentjson = "*"
+simple_slurm = "*"
+pydantic = ">=1.10,<2.0"
+
+[build-system]
+requires = ["poetry-core>=1.0.8", "setuptools>=61.0"]
+build-backend = "poetry.core.masonry.api"
+
+[tool.black]
+line-length = 100
+preview = true
+
+[tool.docformatter]
+recursive = true
+in-place = true
+wrap-summaries = 100
+wrap-descriptions = 100
+blank = true

utilix/mongo_files.py

@@ -46,7 +46,7 @@ def __init__(self, config_identifier="config_name", **kwargs):
     def get_query_config(self, config):
         """Generate identifier to query against. This is just the configs name.
 
-        :param config: str,  name of the file of interest
+        :param config: str, name of the file of interest
         :return: dict, that can be used in queries
 
         """
@@ -55,7 +55,7 @@ def get_query_config(self, config):
     def document_format(self, config):
         """Format of the document to upload.
 
-        :param config: str,  name of the file of interest
+        :param config: str, name of the file of interest
         :return: dict, that will be used to add the document
 
         """
@@ -142,7 +142,7 @@ def _check_store_files_at(cache_folder_alternatives):
         Order does matter as we iterate until we find one folder that is willing.
 
         :param cache_folder_alternatives: tuple, this tuple must be a list of paths one can try to
-            store the downloaded data
+            store the downloaded data.
         :return: str, the folder that we can write to.
 
         """
@@ -232,7 +232,7 @@ def __init__(
     def config_exists(self, config):
         """Quick check if this config is already saved in the collection.
 
-        :param config: str,  name of the file of interest
+        :param config: str, name of the file of interest
         :return: bool, is this config name stored in the database
 
         """
@@ -431,7 +431,7 @@ def __init__(self, config_identifier="config_name"):
     def config_exists(self, config):
         """Quick check if this config is already saved in the collection.
 
-        :param config: str,  name of the file of interest
+        :param config: str, name of the file of interest
         :return: bool, is this config name stored in the database
 
         """