Update to full poetry and add rosetta support

.github/workflows/python-publish.yml

@@ -1,30 +1,42 @@
-# This workflows will upload a Python Package using Twine when a release is created
-# For more information see: https://help.github.com/en/actions/language-and-framework-guides/using-python-with-github-actions#publishing-to-package-registries
+# https://github.com/pypa/gh-action-pypi-publish
+# https://github.com/py-why/dowhy/blob/main/.github/workflows/python-publish.yml
 
 name: Upload Python Package
 
 on:
   release:
     types: [created]
+  workflow_dispatch:
 
 jobs:
   deploy:
+    name: Upload release to PyPI
     runs-on: ubuntu-latest
-
+    permissions:
+      id-token: write
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+
       - name: Set up Python
         uses: actions/setup-python@v4
         with:
           python-version: "3.x"
+
+      - name: Install Poetry
+        uses: abatilo/[email protected]
+
+      - name: Install Poetry Dynamic Versioning Plugin
+        run: pip install poetry-dynamic-versioning
+
       - name: Install dependencies
-        run: |
-          python -m pip install --upgrade pip
-          pip install wheel twine build
+        run: poetry install
+
       - name: Build and publish
-        env:
-          TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
-          TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
         run: |
-          python3 -m build
-          python3 -m twine upload --repository pypi dist/*
+          poetry-dynamic-versioning
+          poetry build
+
+      - name: Publish package distributions to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1

pyproject.toml

@@ -1,77 +1,83 @@
-[build-system]
-requires = ["setuptools>=64"]
-build-backend = "setuptools.build_meta"
+[tool.poetry]
 
-[project]
 name = "pedon"
-dynamic = ["version"]
-authors = [{ name = "Martin Vonk", email = "[email protected]" }]
+version = "0.0.7"
 description = "Python package for (unsaturated) soil properties including pedotransfer functions"
+authors = ["martinvonk <[email protected]>"]
+license = "MIT"
 readme = "README.md"
-license = { file = "LICENSE" }
-requires-python = ">=3.10"
-dependencies = ["numpy", "matplotlib", "pandas", "scipy"]
+homepage = "https://pypi.org/project/pedon/"
+repository = "https://github.com/martinvonk/pedon"
 classifiers = [
-        'Programming Language :: Python :: 3 :: Only',
-        'Programming Language :: Python :: 3.10',
-        'Programming Language :: Python :: 3.11',
-        'Programming Language :: Python :: 3.12',
-        'Topic :: Scientific/Engineering :: Hydrology',
-        'Intended Audience :: Science/Research',
-        "License :: OSI Approved :: MIT License",
-        "Operating System :: OS Independent",
+    'Programming Language :: Python :: 3 :: Only',
+    'Programming Language :: Python :: 3.10',
+    'Programming Language :: Python :: 3.11',
+    'Programming Language :: Python :: 3.12',
+    'Topic :: Scientific/Engineering :: Hydrology',
+    'Intended Audience :: Science/Research',
+    "License :: OSI Approved :: MIT License",
+    "Operating System :: OS Independent",
+]
+include = [
+    { path = "pedon/datasets/soilsamples.csv", format = [
+        "sdist",
+        "wheel",
+    ] },
 ]
 
-[project.urls]
-homepage = "https://github.com/martinvonk/pedon"
-repository = "https://github.com/martinvonk/pedon"
+[tool.poetry.dependencies]
+python = ">=3.10"
+numpy = "*"
+pandas = "*"
+matplotlib = "*"
+scipy = "*"
+requests = "^2.32.2"
 
-[project.optional-dependencies]
-linting = ["flake8", "ruff"]
-formatting = ["black[jupyter]", "isort"]
-typing = ["mypy", "pandas-stubs"]
-pytesting = ["pytest>=7", "pytest-cov", "pytest-sugar"]
-coveraging = ["coverage"]
-dev = ["pedon[linting,formatting,typing,pytesting]", "tox"]
+[tool.poetry.group.dev.dependencies]
+tox = "^4.15.0"
+ipykernel = "^6.29.4"
 
-[tool.poetry]
-name = "pedonenv"
-version = "0.0.0"
-description = "Development Virtual Environment"
-authors = ["poetry"]
+[tool.poetry.group.linting]
+optional = true
 
-[tool.poetry.dependencies]
-python = "^3.10"
-numpy = "^1.3"
-scipy = "^1.6"
-pandas = "^2.0"
-matplotlib = "^3.6"
-openpyxl = "^3.0"
-flake8 = "^6.1.0"
-ruff = "^0.1.9"
-black = { extras = ["jupyter"], version = "^23.12.1" }
-isort = "^5.13.2"
-mypy = "^1.8.0"
-pandas-stubs = "^2.1.4.231218"
-pytest = "^7.4.3"
-pytest-cov = "^4.1.0"
-pytest-sugar = "^0.9.7"
-coverage = "^7.3.4"
-tox = "^4.11.4"
-setuptools = "^69.0.3"
-ipykernel = "^6.28.0"
-
-[tool.setuptools]
-include-package-data = true
-
-[tool.setuptools.dynamic]
-version = { attr = "pedon._version.__version__" }
-
-[tool.setuptools.packages.find]
-where = ["src"]
-
-[tool.setuptools.package-data]
-"pedon.datasets" = ["*.csv"]
+[tool.poetry.group.linting.dependencies]
+flake8 = "*"
+ruff = "*"
+
+[tool.poetry.group.formatting]
+optional = true
+
+[tool.poetry.group.formatting.dependencies]
+black = { extras = ["jupyter"], version = "*" }
+isort = "*"
+
+[tool.poetry.group.typing]
+optional = true
+
+[tool.poetry.group.typing.dependencies]
+mypy = "*"
+pandas-stubs = "*"
+
+[tool.poetry.group.pytesting]
+optional = true
+
+[tool.poetry.group.pytesting.dependencies]
+pytest = ">=7"
+pytest-cov = "*"
+pytest-sugar = "*"
+
+[tool.poetry.group.coveraging]
+optional = true
+
+[tool.poetry.group.coveraging.dependencies]
+coverage = "*"
+
+[tool.poetry-dynamic-versioning]
+enable = true
+
+[tool.poetry-dynamic-versioning.from-file]
+source = "src/pedon/_version.py"
+pattern = '__version__ = "(\d(\.\d)+)"'
 
 [tool.black]
 line-length = 88
@@ -129,3 +135,8 @@ legacy_tox_ini = """
             ruff check src
 
 """
+
+
+[build-system]
+requires = ["poetry-core", "poetry-dynamic-versioning>=1.3.0"]
+build-backend = "poetry.core.masonry.api"

src/pedon/soil.py

@@ -355,6 +355,31 @@ def cosby(self) -> Brooks:
             l=round(labda, 5),
         )
 
+    def rosetta(self, rosetta_version: int = 3) -> Genuchten:
+        """Rosetta (Schaap et al., 2001) - Predicting soil water retention from soil"""
+
+        soildata = [
+            self.sand_p,
+            self.silt_p,
+            self.clay_p,
+            -9.9 if self.rho is None else self.rho,
+            -9.9 if self.th33 is None else self.th33,
+            -9.9 if self.th1500 is None else self.th1500,
+        ]
+
+        data = {"soildata": [soildata]}
+        rjson = requests.post(
+            f"http://www.handbook60.org/api/v1/rosetta/{rosetta_version}", json=data
+        )
+        vgpar = rjson["van_genuchten_params"][0]
+        return Genuchten(
+            k_s=10 ** vgpar[4],
+            theta_r=vgpar[0],
+            theta_s=vgpar[1],
+            alpha=10 ** vgpar[2],
+            n=10 ** vgpar1[3],
+        )
+
 
 @dataclass
 class Soil: