Test of building

.github/workflows/build_many_linux.yml

+# Adapted from https://github.com/RalfG/python-wheels-manylinux-build/blob/master/full_workflow_example.yml
+name: Build and (soon Publish Linux Python packages)
+
+on:
+  push:
+    branches: [ simon ]
+
+jobs:
+  deploy:
+    runs-on: ubuntu-latest
+
+    steps:
+    - uses: actions/checkout@v2
+
+    - name: Setup python
+      uses: actions/setup-python@v1
+      with:
+        python-version: 3.8
+
+    - name: Install python dependencies
+      run: |
+       python -m pip install --upgrade pip
+       python -m pip install twine
+    - name: Build manylinux wheels
+      uses: RalfG/python-wheels-manylinux-build@v0.2.2-manylinux2010_x86_64
+      with:
+        python-versions: 'cp36-cp36m cp37-cp37m cp38-cp38'
+        build-requirements: 'cmake'
+        system-packages: ''
+        package-path: ''
+        pip-wheel-args: '--no-deps'
+    - uses: actions/upload-artifact@v2
+      with:
+        name: CrysFML
+        path: ${{ github.workspace }}/dist/*
\ No newline at end of file

.gitignore

@@ -37,3 +37,6 @@
 
 # Directories
 Build
+
+.idea/
+build/

CMakeLists.txt

@@ -52,16 +52,16 @@ message(STATUS "CrysFML installation path set to ${CRYSFML_PREFIX}")
 
 # Include and library paths for Python. 
 # They must be set by the user.
-if(DEFINED PYTHON_LIBRARY_PATH)
-    set(PYTHON_LIBRARY_PATH ${PYTHON_LIBRARY_PATH} CACHE PATH "Python library path")
-else()
-    set(PYTHON_LIBRARY_PATH "" CACHE PATH "Python library path")
-endif()
-if(DEFINED PYTHON_INTERPRETER_PATH)
-    set(PYTHON_INTERPRETER_PATH ${PYTHON_INTERPRETER_PATH} CACHE PATH "Python interpreter path")
-else()
-    set(PYTHON_INTERPRETER_PATH "" CACHE PATH "Python interpreter path")
-endif()
+# if(DEFINED PYTHON_LIBRARY_PATH)
+#     set(PYTHON_LIBRARY_PATH ${PYTHON_LIBRARY_PATH} CACHE PATH "Python library path")
+# else()
+#     set(PYTHON_LIBRARY_PATH "" CACHE PATH "Python library path")
+# endif()
+# if(DEFINED PYTHON_INTERPRETER_PATH)
+#     set(PYTHON_INTERPRETER_PATH ${PYTHON_INTERPRETER_PATH} CACHE PATH "Python interpreter path")
+# else()
+#     set(PYTHON_INTERPRETER_PATH "" CACHE PATH "Python interpreter path")
+# endif()
 
 # Include and library paths for HDF5.
 # They must be set by the user.

setup.py

+# -*- coding: utf-8 -*-
+import os
+import sys
+from subprocess import CalledProcessError, check_output, check_call
+import pkgutil
+import re
+from setuptools import setup, Extension, find_packages
+from setuptools.command.build_ext import build_ext
+from distutils.version import LooseVersion
+from distutils.sysconfig import get_python_inc
+import distutils.sysconfig as sysconfig
+
+# Convert distutils Windows platform specifiers to CMake -A arguments
+PLAT_TO_CMAKE = {
+    "win32": "Win32",
+    "win-amd64": "x64",
+    "win-arm32": "ARM",
+    "win-arm64": "ARM64",
+}
+
+# We can use cmake provided from pip which (normally) gets installed at /bin
+# Except that in the manylinux builds it's placed at /opt/python/[version]/bin/
+# (as a symlink at least) which is *not* on the path.
+# If cmake is a known module, import it and use it tell us its binary directory
+if pkgutil.find_loader('cmake') is not None:
+    import cmake
+    CMAKE_BIN = cmake.CMAKE_BIN_DIR + os.path.sep + 'cmake'
+else:
+    CMAKE_BIN = 'cmake'
+
+def get_cmake():
+    return CMAKE_BIN
+
+# A CMakeExtension needs a sourcedir instead of a file list.
+# The name must be the _single_ output extension from the CMake build.
+# If you need multiple extensions, see scikit-build.
+class CMakeExtension(Extension):
+    def __init__(self, name, sourcedir=""):
+        Extension.__init__(self, name, sources=[])
+        self.sourcedir = os.path.abspath(sourcedir)
+
+
+class CMakeBuild(build_ext):
+
+    def run(self):
+        try:
+            out = check_output([get_cmake(), '--version'])
+        except OSError:
+            raise RuntimeError("CMake must be installed to build" +
+                               " the following extensions: " +
+                               ", ".join(e.name for e in self.extensions))
+
+        rex = r'version\s*([\d.]+)'
+        cmake_version = LooseVersion(re.search(rex, out.decode()).group(1))
+        if cmake_version < '3.13.0':
+            raise RuntimeError("CMake >= 3.13.0 is required")
+
+        for ext in self.extensions:
+            self.build_extension(ext)
+
+    def build_extension(self, ext):
+        extdir = os.path.abspath(os.path.dirname(self.get_ext_fullpath(ext.name)))
+
+        # required for auto-detection of auxiliary "native" libs
+        if not extdir.endswith(os.path.sep):
+            extdir += os.path.sep
+
+        cfg = "Debug" if self.debug else "Release"
+
+        cmake_args = [
+            "-DPYTHON_EXECUTABLE={}".format(sys.executable),
+            "-DPython_ROOT_DIR={}/".format(sys.base_prefix),
+            "-DPYTHON_INCLUDE_DIR={}".format(get_python_inc()),
+            "-DPYTHON_LIBRARY ={}".format(sysconfig.get_config_var('LIBDIR')),
+            "-DPYTHON_LIBRARIES ={}".format(sysconfig.get_config_var('LIBDIR')),
+            "-DARCH32=OFF",
+            "-DCMAKE_Fortran_COMPILER=gfortran",
+            "-DPYTHON_API=ON",
+            "-DUSE_HDF=OFF",
+            "-DCMAKE_LIBRARY_OUTPUT_DIRECTORY={}".format(extdir),
+            "-DEXAMPLE_VERSION_INFO={}".format(self.distribution.get_version()),
+            "-DCMAKE_BUILD_TYPE={}".format(cfg),  # not used on MSVC, but no harm
+
+        ]
+        build_args = []
+
+        if not os.path.exists(self.build_temp):
+            os.makedirs(self.build_temp)
+
+        check_call(
+            [get_cmake(), ext.sourcedir] + cmake_args, cwd=self.build_temp
+        )
+        check_call(
+            [get_cmake(), "--build", "."] + build_args, cwd=self.build_temp
+        )
+
+
+# The information here can also be placed in setup.cfg - better separation of
+# logic and declaration, and simpler if you include description/version in a file.
+setup(
+    name="CFML",
+    version="0.0.1",
+    author="Simon Ward",
+    author_email="simon.ward@ess.eu",
+    description="ManyLinux test of CrysFML",
+    long_description="",
+    ext_modules=[CMakeExtension("cmake_example")],
+    packages=find_packages(),
+    cmdclass={"build_ext": CMakeBuild},
+    zip_safe=False,
+)