Add pyproject.toml

.github/workflows/pip.yml

@@ -23,10 +23,10 @@ jobs:
           python-version: ${{ matrix.python-version }}
 
       - name: Build and install
-        run: pip install --verbose -r requirements.txt
+        run: pip install --verbose .[test]
 
       - name: Test
-        run: pytest --cov=python --cov-branch src/python/test
+        run: pytest --cov=pffdtd --cov-branch
 
     #   - name: Upload coverage report
     #     uses: codecov/codecov-action@v4

.pre-commit-config.yaml

@@ -11,6 +11,5 @@ repos:
       - id: trailing-whitespace
       - id: end-of-file-fixer
       - id: detect-private-key
-      - id: requirements-txt-fixer
       - id: check-case-conflict
       # - id: check-added-large-files

pyproject.toml

@@ -0,0 +1,58 @@
+[build-system]
+requires = ["setuptools>=61.0"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "pffdtd"
+version = "0.1.0"
+description = "Pretty Fast FDTD"
+readme = "README.md"
+license = { file = "LICENSE.txt" }
+authors = [{ name = "Tobias Hienzsch", email = "post@tobias-hienzsch.de" }]
+requires-python = ">=3.11"
+classifiers = [
+    "Development Status :: 4 - Beta",
+    "Programming Language :: Python :: 3 :: Only",
+    "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
+]
+
+dependencies = [
+    "h5py>=3.2.1",
+    "matplotlib>=3.4.1",
+    "mayavi>=4.7.2",
+    "memory_profiler>=0.58.0",
+    "numba>=0.53.0",
+    "numpy>=1.20.1",
+    "opencv-python>=4.10.0",
+    "optuna>=3.6.1",
+    "pandas>=2.2.2",
+    "plotly>=5.22.0",
+    "polyscope>=0.1.6",
+    "psutil>=5.8.0",
+    "resampy>=0.2.2",
+    "scipy>=1.7.0",
+    "tqdm>=4.58.0",
+    "vtk>=9.0.1",
+]
+
+[project.urls]
+Homepage = "https://github.com/tobanteAudio/pffdtd"
+Issues = "https://github.com/tobanteAudio/pffdtd/issues"
+
+[project.optional-dependencies]
+dev = ["conan>=2.6.0", "pre-commit>=3.8.0", "pylint>=3.2.6"]
+test = ["pytest>=8.3.2", "pytest-cov>=5.0.0"]
+
+[project.scripts]
+pffdtd = "pffdtd.cli:main"
+
+[tool.setuptools.packages.find]
+where = ["src/python"]
+
+[tool.pytest.ini_options]
+minversion = "7.0"
+addopts = ["-ra", "--strict-markers", "--strict-config"]
+xfail_strict = true
+filterwarnings = ["error"]
+testpaths = ["src/python/test/*"]

src/python/pffdtd/cli.py

@@ -0,0 +1,2 @@
+def main():
+    print("pffdtd")

src/python/diffusor/design.py → src/python/pffdtd/diffusor/design.py

@@ -1,7 +1,7 @@
 import cv2
 import numpy as np
 
-from diffusor.qrd import quadratic_residue_diffuser
+from pffdtd.diffusor.qrd import quadratic_residue_diffuser
 
 # fmax calculation matches multiple online calculators. Not sure about fmin
 

src/python/sim2d/fdtd.py

@@ -7,9 +7,9 @@
 import numba as nb
 from tqdm import tqdm
 
-from diffusor.design import diffusor_bandwidth
-from diffusor.qrd import quadratic_residue_diffuser
-from diffusor.prd import primitive_root_diffuser
+from pffdtd.diffusor.design import diffusor_bandwidth
+from pffdtd.diffusor.qrd import quadratic_residue_diffuser
+from pffdtd.diffusor.prd import primitive_root_diffuser
 
 
 def to_ixy(x, y, Nx, Ny, order="row"):

src/python/sim2d/report.py

@@ -5,7 +5,7 @@
 import numpy as np
 import scipy.signal as signal
 
-from diffusor.measurement import polar_response
+from pffdtd.diffusor.measurement import polar_response
 
 
 def main():

src/python/test/test_diffusor.py

@@ -1,6 +1,6 @@
 import numpy as np
 
-from ..diffusor.qrd import quadratic_residue_diffuser
+from pffdtd.diffusor.qrd import quadratic_residue_diffuser
 
 
 def test_quadratic_residue_diffuser():