replace numpy.distutils with CMake and scikit-build-core build …

…backend (#87)

+ convert the build system from `numpy.distutils` to `CMake` and `scikit-build-core`, to support the fortran module compilation for python 3.12+.
   - add `CMakeLists.txt` file for the `solid.for` module
   - `pyproject.toml`: switch the build backend from `setuptools` to `scikit-build-core`
   - `setup.py`: switch the build setup from `numpy.distutils` to `skbuild`

+ .circleci/config.yml: update docker image from `ubuntu:bionic` to `cimg/base`, to avoid the spin up environment error: `Error response from daemon: Head "https://registry-1.docker.io/v2/library/ubuntu/manifests/bionic": received unexpected HTTP status: 503 Service Unavailable`

+ point.py: replace np.NaN with np.nan, as `np.NaN` was removed in the NumPy 2.0 release.

+ pyproject.toml: unpin setuptools/numpy versions, as they are not needed anymore

+ tests/requirements.txt: add meson, to support calling f2py for manual compilation

+ README: remove the export SETUPTOOLS_ENABLE_FEATURES commands, as it's not needed anymore.

---------

Co-authored-by: Zhang Yunjun <[email protected]>

.circleci/config.yml

@@ -23,7 +23,7 @@ jobs:
     # The executor is the environment in which the steps below will be executed - below will use a python 3.9 container
     # Change the version below to your required version of python
     docker:
-      - image: ubuntu:bionic
+      - image: cimg/base:current
         environment:
           CONDA_PREFIX: /root/tools/miniforge
           PYSOLID_HOME: /root/tools/PySolid

.gitignore

@@ -131,3 +131,6 @@ dmypy.json
 
 # Pyre type checker
 .pyre/
+
+# Scikit-build temp directory
+/_skbuild/

CMakeLists.txt

@@ -0,0 +1,37 @@
+# Based on:
+# https://github.com/scikit-build/scikit-build-core/tree/main/docs/examples/getting_started/fortran
+
+cmake_minimum_required(VERSION 3.17.2...3.29)
+project(${SKBUILD_PROJECT_NAME} LANGUAGES C Fortran)
+
+find_package(
+  Python
+  COMPONENTS Interpreter Development.Module NumPy
+  REQUIRED)
+
+# F2PY headers
+execute_process(
+  COMMAND "${PYTHON_EXECUTABLE}" -c
+          "import numpy.f2py; print(numpy.f2py.get_include())"
+  OUTPUT_VARIABLE F2PY_INCLUDE_DIR
+  OUTPUT_STRIP_TRAILING_WHITESPACE)
+
+add_library(fortranobject OBJECT "${F2PY_INCLUDE_DIR}/fortranobject.c")
+target_link_libraries(fortranobject PUBLIC Python::NumPy)
+target_include_directories(fortranobject PUBLIC "${F2PY_INCLUDE_DIR}")
+set_property(TARGET fortranobject PROPERTY POSITION_INDEPENDENT_CODE ON)
+
+add_custom_command(
+  OUTPUT solidmodule.c solid-f2pywrappers.f
+  DEPENDS src/pysolid/solid.for
+  VERBATIM
+  COMMAND "${Python_EXECUTABLE}" -m numpy.f2py
+          "${CMAKE_CURRENT_SOURCE_DIR}/src/pysolid/solid.for" -m solid --lower)
+
+python_add_library(
+  solid MODULE "${CMAKE_CURRENT_BINARY_DIR}/solidmodule.c"
+  "${CMAKE_CURRENT_BINARY_DIR}/solid-f2pywrappers.f"
+  "${CMAKE_CURRENT_SOURCE_DIR}/src/pysolid/solid.for" WITH_SOABI)
+target_link_libraries(solid PRIVATE fortranobject)
+
+install(TARGETS solid DESTINATION pysolid)

README.md

@@ -59,8 +59,6 @@ python -m pip install -r PySolid/requirements.txt -r PySolid/tests/requirements.
 python -m pip install PySolid
 
 # option 2: use pip to install pysolid in develop mode (editable) into the current environment
-# setting an environmental variable as below is required for editable installs via pyproject.toml
-export SETUPTOOLS_ENABLE_FEATURES="legacy-editable"
 python -m pip install -e PySolid
 
 # option 3: manually compile the Fortran code and setup environment variable

pyproject.toml

@@ -1,6 +1,6 @@
 [build-system]
-requires = ["setuptools<60.0", "setuptools_scm[toml]>=6.2", "numpy<1.23.0", "wheel"]
-build-backend = "setuptools.build_meta"
+requires = ["cmake", "scikit-build-core", "setuptools", "setuptools_scm[toml]>=6.2", "numpy", "wheel"]
+build-backend = "scikit_build_core.build"
 
 [project]
 name = "pysolid"
@@ -54,3 +54,6 @@ pysolid = ["*.for"]
 [tool.setuptools_scm]
 version_scheme = "post-release"
 local_scheme = "no-local-version"
+
+[tool.scikit-build]
+metadata.version.provider = "scikit_build_core.metadata.setuptools_scm"

setup.py

@@ -3,7 +3,7 @@
 
 # always prefer setuptools over distutils
 import setuptools
-from numpy.distutils.core import setup, Extension
+from skbuild import setup
 
 # read the contents of README file
 def readme():
@@ -53,9 +53,4 @@ def readme():
     package_data={
         "pysolid": ["solid.for"],
     },
-
-    ## fortran extensions to build with numpy.f2py
-    ext_modules=[
-        Extension(name="pysolid.solid", sources=["src/pysolid/solid.for"])
-    ],
 )

src/pysolid/point.py

@@ -62,7 +62,7 @@
     Tag('Shallow water terdiurnal'                  , r'$MK_3$'     , 8.177140247,  44.0251729, 365.555, 8 ),
     Tag('Shallow water overtides of principal solar', r'$S_4$'      , 6.0        ,  60.0      , 491.555, 9 ),
     Tag('Shallow water quarter diurnal'             , r'$MN_4$'     , 6.269173724,  57.4238337, 445.655, 10),
-    Tag('Shallow water overtides of principal solar', r'$S_6$'      , 4.0        ,  90.0      , np.NaN , 12),
+    Tag('Shallow water overtides of principal solar', r'$S_6$'      , 4.0        ,  90.0      , np.nan , 12),
     Tag('Lunar terdiurnal'                          , r'$M_3$'      , 8.280400802,  43.4761563, 355.555, 32),
     Tag('Shallow water terdiurnal'                  , '2"MK'+r'$_3$', 8.38630265 ,  42.9271398, 345.555, 34),
     Tag('Shallow water eighth diurnal'              , r'$M_8$'      , 3.105150301, 115.9364166, 855.555, 36),

tests/requirements.txt

@@ -1,5 +1,6 @@
 # for packaging and installation
 #fortran-compiler   # Fortran compiler across platforms through conda-forge channel
+meson
 pip
 setuptools_scm>=6.2
 # for testing