Modernize setup.py

.github/workflows/docs.yml

@@ -9,7 +9,7 @@ on:
 
 jobs:
   build-and-publish:
-    runs-on: ubuntu-18.04
+    runs-on: ubuntu-20.04
     steps:
       - uses: actions/checkout@v3
         with:

.github/workflows/tests.yml

@@ -16,7 +16,7 @@ jobs:
         include:
           - os: windows-2019
             python-version: "3.8"
-          - os: macos-10.15
+          - os: macos-11
             python-version: "3.8"
     steps:
       - uses: actions/checkout@v3
@@ -26,19 +26,14 @@ jobs:
         uses: actions/setup-python@v4
         with:
           python-version: ${{ matrix.python-version }}
+      - name: setup MSVC command prompt
+        uses: ilammy/msvc-dev-cmd@v1
       - name: install dependencies
         run: |
           python -m pip install --upgrade pip
           pip install tox
-      - name: run tests (Unix)
-        if: matrix.os != 'windows-2019'
+      - name: run tests
         run: tox
-      - name: run tests (Windows)
-        if: matrix.os == 'windows-2019'
-        run: |
-          call "C:\Program Files (x86)\Microsoft Visual Studio\2019\Enterprise\VC\Auxiliary\Build\vcvars64.bat"
-          tox
-        shell: cmd
       - name: run extra checks
         run: |
           ./scripts/check-used-functions.py

pyproject.toml

@@ -2,38 +2,10 @@
 requires = [
     "setuptools >=44",
     "wheel >=0.36",
-    "ninja",
     "cmake",
 ]
 build-backend = "setuptools.build_meta"
 
-[tool.tox]
-legacy_tox_ini = """
-[tox]
-skipsdist = True
-
-[testenv]
-; this is required on windows to ensure the compiler finds the standard lib
-; files (kernel32.lib, etc.) and headers
-passenv =
-    LIB
-    INCLUDE
-    LIBPATH
-setenv =
-    CHFL_PY_INTERNAL_CHEMFILES = 1
-
-commands =
-    python setup.py install
-    coverage run --source=chemfiles -m unittest discover -s tests -p "*.py"
-    coverage xml -o .tox/coverage.xml
-
-deps =
-    ninja
-    cmake
-    coverage
-    numpy
-"""
-
 [tool.black]
 line-length = 88
 exclude = '''

setup.py

@@ -1,33 +1,15 @@
-# -*- coding=utf-8 -*-
 import os
 import re
 import site
 import subprocess
 import sys
 
 from setuptools import Extension, setup
+from setuptools.command.bdist_egg import bdist_egg
+from setuptools.command.build_ext import build_ext
+from setuptools.command.build_py import build_py
 from wheel.bdist_wheel import bdist_wheel
 
-from distutils.command.build_py import build_py  # type: ignore   isort: skip
-from distutils.command.build_ext import build_ext  # type: ignore   isort: skip
-from distutils.command.install import install as distutils_install  # type: ignore   isort: skip
-
-try:
-    import cmake
-
-    CMAKE_EXECUTABLE = os.path.join(cmake.CMAKE_BIN_DIR, "cmake")
-
-except ImportError:
-    CMAKE_EXECUTABLE = "cmake"
-
-try:
-    import ninja
-
-    NINJA_EXECUTABLE = os.path.join(ninja.BIN_DIR, "ninja")
-except ImportError:
-    NINJA_EXECUTABLE = "ninja"
-
-
 # workaround https://github.com/pypa/pip/issues/7953
 site.ENABLE_USER_SITE = "--user" in sys.argv[1:]
 
@@ -59,8 +41,6 @@ def run(self):
             pass
 
         cmake_options = [
-            "-GNinja",
-            f"-DCMAKE_MAKE_PROGRAM={NINJA_EXECUTABLE}",
             f"-DCMAKE_INSTALL_PREFIX={install_dir}",
             "-DCMAKE_BUILD_TYPE=Release",
             "-DBUILD_SHARED_LIBS=ON",
@@ -80,7 +60,7 @@ def run(self):
             cmake_options.append("-DCHFL_PY_INTERNAL_CHEMFILES=ON")
 
         subprocess.run(
-            [CMAKE_EXECUTABLE, source_dir, *cmake_options],
+            ["cmake", source_dir, *cmake_options],
             cwd=build_dir,
             check=True,
         )
@@ -95,21 +75,25 @@ def run(self):
         build_dir = os.path.join(ROOT, "build", "cmake-build")
 
         subprocess.run(
-            [CMAKE_EXECUTABLE, "--build", build_dir, "--target", "install"],
+            ["cmake", "--build", build_dir, "--target", "install"],
             check=True,
         )
 
 
-def _get_lib_ext():
-    if sys.platform.startswith("win32"):
-        ext = ".dll"
-    elif sys.platform.startswith("darwin"):
-        ext = ".dylib"
-    elif sys.platform.startswith("linux"):
-        ext = ".so"
-    else:
-        raise Exception("Unknown operating system: %s" % sys.platform)
-    return ext
+class bdist_egg_disabled(bdist_egg):
+    """Disabled version of bdist_egg
+
+    Prevents setup.py install performing setuptools' default easy_install,
+    which it should never ever do.
+    """
+
+    def run(self):
+        sys.exit(
+            "Aborting implicit building of eggs. "
+            + "Use `pip install .` or `python setup.py bdist_wheel && pip "
+            + "uninstall chemfiles -y && pip install dist/chemfiles-*.whl` "
+            + "to install from source."
+        )
 
 
 setup(
@@ -123,10 +107,7 @@ def _get_lib_ext():
         "build_py": cmake_configure,
         "build_ext": cmake_build,
         "bdist_wheel": universal_wheel,
-        # HACK: do not use the new setuptools install implementation, it tries
-        # to install the package with `easy_install`, which fails to resolve the
-        # freshly installed package and tries to load it from pypi.
-        "install": distutils_install,
+        "bdist_egg": bdist_egg if "bdist_egg" in sys.argv else bdist_egg_disabled,
     },
     exclude_package_data={
         "chemfiles": [

tox.ini

@@ -0,0 +1,26 @@
+[tox]
+min_version = 4.0
+envlist = tests
+
+[testenv:build-chemfiles]
+passenv = *
+setenv = CHFL_PY_INTERNAL_CHEMFILES = 1
+
+deps =
+    wheel
+    cmake
+
+commands =
+    pip wheel . --no-build-isolation --verbose --no-deps --check-build-dependencies --wheel-dir {envtmpdir}/dist
+
+[testenv:tests]
+package = external
+package_env = build-chemfiles
+
+commands =
+    coverage run --source=chemfiles -m unittest discover -s tests -p "*.py"
+    coverage xml -o .tox/coverage.xml
+
+deps =
+    coverage
+    numpy