[MNT] Migrate packaging to pyproject.toml (#594)

Migrates packaging to `pyproject.toml`.

* move the dependency sets from `requirements` to `pyproject.toml`
* move `setup.py` and `setup.cfg` to `pyproject.toml`

Also carries out a minimal improvement of the testing workflow:

* remove outdated python 3.8 and 3.9
* add concurrency handling

Depends on #597 which should be merged first

Author: fkiraly

.github/workflows/label-conflicts.yml

@@ -1,13 +1,8 @@
 name: PyPI Release
 
 on:
-    push:
-        branches: [main]
-        tags: ["v?[0-9]+.[0-9]+.[0-9]+"]
-    pull_request:
-        branches: [main]
-    release:
-        types: [published]
+  release:
+    types: [published]
 
 jobs:
     # based on https://github.com/pypa/gh-action-pypi-publish

.github/workflows/releasing.yml

@@ -1,13 +1,20 @@
 name: Testing
 
 on:
-    push:
-        branches: [main]
-    pull_request: {}
+  push:
+    paths-ignore:
+      - 'docs/**'
+    branches:
+      - main
+  pull_request:
+    branches:
+      - main
+    paths-ignore:
+      - 'docs/**'
 
 concurrency:
-    group: ${{ github.workflow }}-${{ github.ref }}-${{ github.head_ref }}
-    cancel-in-progress: ${{ github.ref != 'refs/heads/main' }}
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
 
 jobs:
     pytest:
@@ -16,13 +23,7 @@ jobs:
             fail-fast: false
             matrix:
                 os: [ubuntu-latest]
-                python-version: ["3.8", "3.9", "3.10"]
-                include:
-                    - { os: "ubuntu-20.04", python-version: "3.8", requires: "oldest" }
-                    - { os: "ubuntu-20.04", python-version: "3.9", requires: "oldest" }
-
-        env:
-            TORCH_URL: "https://download.pytorch.org/whl/cpu/torch_stable.html"
+                python-version: ["3.10"]
 
         steps:
             - uses: actions/checkout@v4
@@ -42,7 +43,7 @@ jobs:
 
             - name: Install main package & dependencies
               run: |
-                  pip install -e .[extra] -r requirements/dev.txt -f ${TORCH_URL}
+                  pip install -e .[dev,extra]
                   pip list
 
             - name: Restore test's datasets

.github/workflows/testing.yml

@@ -1,3 +1,98 @@
+[project]
+name = "pytorch_tabular"
+version = "1.1.1"
+description = "A standard framework for using Deep Learning for tabular data"
+readme = { file = "README.md", content-type = "text/markdown" }
+license = { text = "MIT" }
+
+authors = [
+    { name = "Manu Joseph", email = "manujosephv@gmail.com" }
+]
+
+requires-python = ">=3.8"
+
+keywords = [
+    "pytorch",
+    "tabular",
+    "pytorch-lightning",
+    "neural network",
+]
+
+classifiers = [
+    "Development Status :: 4 - Beta",
+    "Intended Audience :: Developers",
+    "License :: OSI Approved :: MIT License",
+    "Natural Language :: English",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
+    "Programming Language :: Python :: 3.13",
+    "Programming Language :: Python :: 3.14",
+]
+
+dependencies = [
+    "torch>=1.11.0",
+    "numpy>1.20.0,<2.0",
+    "pandas>=1.1.5",
+    "scikit-learn>=1.3.0",
+    "pytorch-lightning>=2.0.0,<2.5.0",
+    "omegaconf>=2.3.0",
+    "torchmetrics>=0.10.0,<1.7.0",
+    "tensorboard>2.2.0,!=2.5.0",
+    "protobuf>=3.20.0,<5.30.0",
+    "pytorch-tabnet==4.1",
+    "PyYAML>=5.4,<6.1.0",
+    "matplotlib>3.1",
+    "ipywidgets",
+    "einops>=0.6.0,<0.8.0",
+    "rich>=11.0.0",
+    "fsspec>=2022.5.0,<2024.4.0; python_version == '3.8'",
+]
+
+
+[project.optional-dependencies]
+
+dev = [
+    "wget",
+    "bump2version==1.0.1",
+    "mkdocs-material==9.5.*",
+    "ipython[notebook]>8.0,<9.0",
+    "mkdocstrings[python]==0.26.*; python_version < '3.9'",
+    "mkdocstrings[python]==0.29.*; python_version >= '3.9'",
+    "mknotebooks==0.8.*",
+    "pytest>=5.3.2",
+    "pytest-runner>=5.1",
+    "torch_optimizer",
+]
+
+extra = [
+    "wandb>=0.15.0,<0.19.0",
+    "plotly>=5.13.0,<5.25.0",
+    "kaleido>=0.2.0,<0.3.0",
+    "captum>=0.5.0,<0.8.0",
+]
+
+
+[project.urls]
+Homepage = "https://github.com/pytorch-tabular/pytorch_tabular"
+
+
+[build-system]
+requires = ["setuptools>=61.0", "wheel"]
+build-backend = "setuptools.build_meta"
+
+
+[tool.setuptools]
+include-package-data = true
+zip-safe = false
+
+
+[tool.setuptools.packages.find]
+where = ["src"]
+include = ["pytorch_tabular", "pytorch_tabular.*"]
+
+
 [tool.ruff]
 target-version = "py38"
 line-length = 120