migration to pyproject toml (wfondrie#77)

CHANGELOG.md

@@ -1,11 +1,12 @@
 # Changelog for mokapot  
 
-## [Unreleased] - 2022-10-25
+## [Unreleased]
 ### Fixed
 - Confidence objects are now picklable.
 
 ### Changes
-- Updated GitHub Actions
+- Updated GitHub Actions.
+- Migrated to a full pyproject.toml setuptools build. Thanks @jspaezp!
 
 ## [0.8.3] - 2022-07-20
 ### Fixed

pyproject.toml

@@ -1,7 +1,64 @@
 [build-system]
-requires = ["setuptools>=42", "wheel", "setuptools_scm[toml]>=3.4"]
+requires = ["setuptools>=61", "wheel", "setuptools_scm[toml]>=3.4"]
 build-backend = "setuptools.build_meta"
 
+[project]
+name = "mokapot"
+authors = [{name = "William E. Fondrie", email = "[email protected]"}]
+description = "Fast and flexible semi-supervised learning for peptide detection"
+license = {text = "Apache 2.0"}
+classifiers = [
+    "Programming Language :: Python :: 3",
+    "License :: OSI Approved :: Apache Software License",
+    "Operating System :: OS Independent",
+    "Topic :: Scientific/Engineering :: Bio-Informatics",
+]
+requires-python = ">=3.6"
+dependencies = [
+    "numpy>=1.18.1",
+    "pandas>=1.0.3",
+    "scikit-learn>=0.22.1",
+    "numba>=0.48.0",
+    "matplotlib>=3.1.3",
+    "lxml>=4.6.2",
+    "triqler>=0.6.2",
+    "joblib>=1.1.0",
+]
+dynamic = ["version"]
+
+[project.readme]
+file = "README.md"
+content-type = "text/markdown"
+
+[project.urls]
+Homepage = "https://github.com/wfondrie/mokapot"
+Documentation = "https://mokapot.readthedocs.io"
+"Bug Tracker" = "https://github.com/wfondrie/mokapot/issues"
+"Discussion Board" = "https://github.com/wfondrie/mokapot/discussions"
+
+[project.optional-dependencies]
+docs = [
+    "numpydoc>=1.0.0",
+    "sphinx-argparse>=0.2.5",
+    "sphinx-rtd-theme>=0.5.0",
+    "nbsphinx>=0.7.1",
+    "ipykernel>=5.3.0",
+    "recommonmark>=0.5.0",
+]
+dev = [
+    "pre-commit>=2.7.1",
+    "black>=19.10b0",
+]
+
+[project.scripts]
+mokapot = "mokapot.mokapot:main"
+
+[tool.setuptools]
+include-package-data = false
+
+[tool.setuptools.packages]
+find = {namespaces = false}
+
 [tool.setuptools_scm]
 
 [tool.black]