Replace setup.py with pyproject.toml

.flake8

@@ -0,0 +1,5 @@
+[flake8]
+exclude = docs, pyscal/__init__.py, pyscal/version.py
+max-line-length = 88
+ignore = E741, W503, E203
+# E203: "whitespace before ':'", added due to conflict with black

.github/workflows/pyscal.yml

@@ -50,7 +50,7 @@ jobs:
         if: ${{ always() }}
         run: |
           pip install --upgrade pip
-          pip install .[tests]
+          pip install .[tests,docs]
 
       - name: List all installed packages
         if: ${{ always() }}
@@ -59,7 +59,7 @@ jobs:
       - name: Lint with black
         if: ${{ always() }}
         run: |
-          black --check --force-exclude="pyscal/version.py" pyscal/*py tests/test_*py setup.py docs/conf.py
+          black --check --force-exclude="pyscal/version.py" pyscal tests docs
 
       - name: Lint with flake8
         if: ${{ always() }}
@@ -77,11 +77,13 @@ jobs:
           mypy pyscal
 
       - name: Run tests
+        if: ${{ always() }}
         run: |
           python -c "import pyscal"
-          pytest --strict-markers --hypothesis-profile ci tests/
+          pytest -n auto --strict-markers --hypothesis-profile ci tests/
 
       - name: Syntax check documentation
+        if: ${{ always() }}
         run: |
           rstcheck -r docs
 

ci/testkomodo.sh

@@ -1,5 +1,5 @@
 install_test_dependencies () {
-  pip install -r test_requirements.txt
+  pip install ".[tests]"
 }
 
 start_tests () {

pyproject.toml

@@ -0,0 +1,113 @@
+[build-system]
+
+requires = [
+    "setuptools>=45.0",
+    "setuptools_scm[toml]>=6.2",
+]
+
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools]
+packages = ["pyscal"]
+
+[tool.setuptools_scm]
+write_to = "pyscal/version.py"
+
+[project]
+name = "pyscal"
+description = "Generate relative permeability include files for Eclipse reservoir simulator"
+readme = "README.md"
+requires-python = ">=3.8"
+license = { file = "LICENSE" }
+authors = [
+    { name = "Håvard Berland", email = "[email protected]" },
+]
+keywords = ["relative permeability", "capillary pressure", "reservoir simulation"]
+classifiers = [
+    "Development Status :: 5 - Production/Stable",
+    "Intended Audience :: Science/Research/Developers",
+    "Topic :: Scientific/Engineering",
+    "Topic :: Scientific/Engineering :: Physics",
+    "Topic :: Software Development :: Libraries",
+    "Topic :: Utilities",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+    "Natural Language :: English",
+    "License :: OSI Approved :: GNU Lesser General Public License v3 or later (LGPLv3+)",
+]
+dynamic = ["version"]
+
+dependencies = [
+    "matplotlib",
+    "numpy<2",
+    "openpyxl",
+    "pandas",
+    "scipy",
+    "urllib3<2",
+    "xlrd",
+]
+
+[project.optional-dependencies]
+tests = [
+    "black",
+    "flake8",
+    "hypothesis",
+    "isort",
+    "mypy",
+    "pytest",
+    "pytest-cov",
+    "pytest-mock",
+    "pytest-xdist",
+    "rstcheck",
+]
+
+docs = [
+    "autoapi",
+    "sphinx<7",
+    "sphinx-argparse",
+    "sphinx-autodoc-typehints",
+    "sphinx_rtd_theme",
+]
+
+[project.urls]
+Homepage = "https://github.com/equinor/pyscal"
+Documentation = "https://equinor.github.io/pyscal/"
+Repository = "https://github.com/equinor/pyscal"
+
+[project.scripts]
+pyscal = "pyscal.pyscalcli:main"
+
+[tool.black]
+line-length = 88
+
+[tool.isort]
+profile = "black"
+skip = "pyscal/__init__.py"
+
+[[tool.mypy.overrides]]
+module = ["numpy.*", "pyscal.version", "pandas.*", "matplotlib.*", "scipy.*", "xlrd.*", "openpyxl.*"
+]
+ignore_missing_imports = true
+
+[tool.pylint]
+# Module docstrings are not required, there are other means of documenting at
+# that level in subscript
+disable = "missing-module-docstring"
+
+[tool.pytest.ini_options]
+norecursedirs = [
+    ".git",
+]
+xfail_strict = "True"
+
+addopts = "-ra --strict-markers --ignore=docs/conf.py --ignore=.eggs"
+
+markers = [
+    "integration: marks a test as an integration test",
+    "plot: marks a test as interactive, plots will flash to the screen",
+    "slow: a test that is expected to take up to a second or so to execute",
+]
+
+[tool.rstcheck]
+ignore_directives = ["argparse", "automodule"]

pyscal/utils/string.py

@@ -48,10 +48,7 @@ def df2str(
         dframe = modify_dframe_monotonicity(dframe, monotonicity, digits)
 
     return dframe.round(roundlevel).to_csv(
-        sep=" ",
-        float_format=float_format,
-        header=header,
-        index=False
+        sep=" ", float_format=float_format, header=header, index=False
     )