ENH: Upgrade PyCuba to PyCubaX

CHANGELOG.md

@@ -0,0 +1,11 @@
+# Change Log
+
+## v0.1 (2024-10-07)
+
+### Features
+
+- Extend the maximum number of integrand components, ``MAXCOMP``, to $1024^2$.
+
+### Maintenance
+
+- Refactor PyCuba module.

README.md

@@ -0,0 +1,79 @@
+# PyCuba(X): a new Python wrapper for the Cuba library
+
+The PyCuba(X) package provides a Python wrapper for the Cuba library, which
+offers a choice of four independent routines for multidimensional
+numerical integration: Vegas, Suave, Divonne, and Cuhre.
+
+## Installation
+
+### Cuba library
+
+In the cloned repository, execute in shell
+
+```sh
+./make_sharedlib.sh
+```
+
+This creates ``libcuba.[a,so,dylib]`` inside the ``dist/`` folder.
+
+### PyCuba(X) package
+
+Provided `pip` is available as part of your Python environment, run
+
+```sh
+python -m pip install --editable . -vvv
+```
+
+to install in local editable mode.
+
+> [!NOTE]
+> This automatically creates the shared library in the ``dist/`` folder.
+> If for any reason the shared library is moved/removed or stored at a
+> different location, `export LIBCUBA=<path-to-libcuba>` (in shell)
+> or `import os; os.environ['LIBCUBA'] = <path-to-libcuba>` (in Python)
+> before importing ``pycuba``.
+
+## Usage
+
+Simply import the desired integration routine, e.g.
+
+```py
+from pycuba import Vegas
+```
+
+See PyCuba
+[documentation](https://johannesbuchner.github.io/PyMultiNest/pycuba.html)
+and [repository](https://github.com/JohannesBuchner/PyMultiNest) for
+more details.
+
+See also the note above regarding the discoverability of ``libcuba``.
+
+## Acknowledgement
+
+The ``Cuba`` library is written by
+[Thomas Hahn](https://wwwth.mpp.mpg.de/members/hahn/)
+and is available at <http://www.feynarts.de/cuba/>
+under the LGPLv3 licence.
+
+The ``PyCuba`` package is written by
+[Johannes Buchner](https://github.com/JohannesBuchner)
+and is available as part of
+[``PyMultiNest``](https://github.com/JohannesBuchner/PyMultiNest)
+under the GPLv3 licence.
+
+Both libraries/packages have been modified and redistributed here under
+the GLPv3+ licence. Changes are detailed in [`CHANGELOG.md`](./CHANGELOG.md).
+
+## Licence
+
+[![Licence](https://img.shields.io/github/license/MikeSWang/PyCubaX?label=licence&style=flat-square&color=informational)](https://github.com/MikeSWang/PyCubaX/blob/main/LICENCE)
+
+``PyCubaX`` is made freely available under the
+[GPLv3+ licence](https://www.gnu.org/licenses/gpl-3.0.en.html).
+Please see [``LICENCE``](./LICENCE) for full terms and conditions.
+
+&copy; 2022 Thomas Hahn
+
+&copy; 2016 Johannes Buchner
+
+&copy; 2024 Mike S Wang

make_sharedlib.sh

@@ -9,19 +9,35 @@ function bfecho {
     echo -e "\033[1m$@\033[0m"
 }
 
-CC=${CC:-gcc}
 LIBNAME=libcuba
+if [[ $(uname -s) == 'Darwin' ]]; then
+    LIBSUFFIX=.dylib
+elif [[ $(uname -s) == 'Linux' ]]; then
+    LIBSUFFIX=.so
+else
+    echo "Unsupported operating system: $(uname -s)"
+    exit 1
+fi
+
 DISTDIR=dist
 
+CC=${CC:-gcc}
+
 # Patch the source code.
 bfecho "Patching up source code..."
 patch -p1 < $(find patches -type f -name "*.patch")
 echo
 
 # Export environment variables.
 bfecho "Exporting environment variables..."
-echo "export CFLAGS=\${CFLAGS:--fPIC -fomit-frame-pointer -Ofast -Wall}"
-export CFLAGS=${CFLAGS:--fPIC -fomit-frame-pointer -Ofast -Wall}
+CFLAGS_LIST=(-fPIC -fomit-frame-pointer -Ofast -Wall)
+if [[ $(uname -s) == 'Darwin' ]]; then
+    CFLAGS_LIST+=(-mmacos-version-min=11.0 -mcpu=apple-m1 -mtune=native)
+else
+    CFLAGS_LIST+=(-march=native)
+fi
+echo "export CFLAGS=\${CFLAGS:-${CFLAGS_LIST[@]}}"
+export CFLAGS=${CFLAGS:-${CFLAGS_LIST[@]}}
 echo
 
 # Configure
@@ -36,17 +52,17 @@ echo
 
 # Build shared library from unpacked static library.
 bfecho "Unpacking static library..."
-OBJFILES=$(ar xv libcuba.a | sed 's|x - ||g' | grep -v "__.SYMDEF SORTED")
+OBJFILES=$(ar xv libcuba.a | sed 's|x - ||g' | grep -v '__.SYMDEF SORTED')
 echo
 
 bfecho "Building shared library..."
-${CC} -shared -Wall ${OBJFILES} -o ${LIBNAME}.so -lm
+${CC} -shared -Wall ${OBJFILES} -o ${LIBNAME}${LIBSUFFIX} -lm
 echo
 
 # Move libraries to dist directory.
 bfecho "Moving libraries to dist directory..."
-mkdir -p ${DISTDIR}
-find . -maxdepth 1 -type f -name "${LIBNAME}.*" -exec mv {} ${DISTDIR} \;
+mkdir -p "${DISTDIR}"
+find . -maxdepth 1 -type f -name "${LIBNAME}.*" -exec mv {} "${DISTDIR}" \;
 echo
 
 # Clean up.
@@ -58,5 +74,5 @@ echo
 
 echo "... deleting auxiliary files"
 find . -type f -name "*.rej" -o -name "*.orig" -exec rm {} \;
-rm config.h config.log config.status makefile "__.SYMDEF SORTED" ${OBJFILES}
+rm config.h config.log config.status makefile '__.SYMDEF SORTED' ${OBJFILES}
 echo

pyproject.toml

@@ -0,0 +1,102 @@
+[build-system]
+build-backend = 'setuptools.build_meta'
+requires = [
+    'setuptools>=61.0',
+    'setuptools_scm>=6.4',
+]
+
+[project]
+name = 'PyCubaX'
+description = "A new Python wrapper for Cuba: a library for multidimensional numerical integration"
+authors = [
+    {name = 'Mike S Wang'},
+    {name = 'Johannes Buchner'},
+]
+maintainers = [
+    {name = 'Mike S Wang', email = "32841762+MikeSWang@users.noreply.github.com"},
+]
+license = {file = "LICENCE"}
+classifiers = [
+    "License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
+    "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
+    "License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)",
+    "Operating System :: MacOS",
+    "Operating System :: POSIX :: Linux",
+    "Programming Language :: C",
+    "Programming Language :: Python",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3 :: Only",
+    "Topic :: Scientific/Engineering :: Mathematics",
+    "Intended Audience :: Science/Research",
+    "Intended Audience :: Education",
+]
+dynamic = [
+  'version',
+  'readme',
+]
+requires-python = '>=3.10'
+
+[project.urls]
+Source = "https://github.com/MikeSWang/PyCubaX"
+Changelog = "https://github.com/MikeSWang/PyCubaX/blob/main/CHANGELOG.md"
+
+# [tool.setuptools]
+# packages = ["pycuba"]
+# package-dir = {"" = "src"}
+
+[tool.setuptools.packages.find]
+where = ["src"]
+include = ["py*"]
+namespaces = false
+
+[tool.setuptools.dynamic]
+# version = {attr = 'pycuba.__version__'}
+readme = {file = "README.md"}
+
+[tool.setuptools_scm]
+
+[tool.autopep8]
+in-place = true
+recursive = true
+aggressive = 3
+max_line_length = 79
+ignore = "E226,"
+
+[tool.codespell]
+count = true
+quiet-level = 3
+
+[tool.ruff]
+target-version = 'py310'
+line-length = 79
+exclude = [
+    ".eggs",
+    ".git",
+    ".git-rewrite",
+    ".ipynb_checkpoints",
+    ".nox",
+    ".pyenv",
+    ".pytest_cache",
+    ".ruff_cache",
+    ".tox",
+    ".venv",
+    ".vscode",
+    "__pypackages__",
+    "build",
+    "dist",
+    "node_modules",
+    "site-packages",
+    "venv",
+]
+
+[tool.ruff.lint]
+fixable = ['ALL']
+unfixable = []
+
+[tool.ruff.format]
+quote-style = 'preserve'
+indent-style = 'space'
+line-ending = 'auto'
+skip-magic-trailing-comma = true
+docstring-code-format = false
+docstring-code-line-length = 'dynamic'

setup.py

@@ -0,0 +1,56 @@
+#!/usr/bin/env python
+import os
+import subprocess
+
+from setuptools import setup
+from setuptools.command.build_py import build_py
+
+
+class BuildPyDepCdll(build_py):
+    def run(self):
+        super().run()
+        subprocess.check_call(['bash', './make_sharedlib.sh'])
+
+
+def get_pkg_version_scheme(
+    default_ver_scheme: str = 'no-guess-dev',
+    default_loc_scheme: str = 'node-and-date'
+) -> dict:
+    """Get package version scheme from the environment.
+
+    Parameters
+    ----------
+    default_ver_scheme : str, optional
+        Fallback default version scheme for the package
+        (default is 'no-guess-dev').
+    default_loc_scheme : str, optional
+        Fallback default local scheme for the package
+        (default is 'node-and-date').
+
+    Returns
+    -------
+    dict
+        Package version scheme(s).
+
+    See Also
+    --------
+    :pkg:`setuptools_scm`
+        For available version schemes.
+
+    """
+    ver_scheme = os.getenv('PY_SCM_VER_SCHEME', '').strip() \
+        or default_ver_scheme
+    loc_scheme = os.getenv('PY_SCM_LOC_SCHEME', '').strip() \
+        or default_loc_scheme
+
+    return {
+        'version_scheme': ver_scheme,
+        'local_scheme': loc_scheme,
+    }
+
+
+if __name__ == '__main__':
+    setup(
+        use_scm_version=get_pkg_version_scheme(),
+        cmdclass={'build_py': BuildPyDepCdll},
+    )