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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-11-19 12:32:40 +01:00

Local pip install works

This commit is contained in:
q-posev 2022-05-03 13:44:44 +02:00
parent a2f400fce0
commit a3b3323783
4 changed files with 70 additions and 0 deletions

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python/pyproject.toml Normal file
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[build-system]
requires = [
"setuptools>=42",
"wheel",
"numpy>=1.17.3"
]
build-backend = "setuptools.build_meta"

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from .pyqmckl import *

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python/requirements.txt Normal file
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setuptools>=42
numpy>=1.17.3

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python/setup.py Normal file
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#!/usr/bin/env python3
"""
setup.py file for pyqmckl package
"""
from setuptools import setup, Extension
from os.path import join
with open("README.md", "r") as fh:
long_description = fh.read()
mod_name = 'pyqmckl'
# Define pyqmckl extension module based on TREXIO source codes + SWIG-generated wrapper
pyqmckl_module = Extension(name = f'{mod_name}._{mod_name}', #f'_{mod_name}',
#sources = [ join('src', mod_name + '_wrap.c') ],
sources = [ join('src', f'{mod_name}.i') ],
#include_dirs = [numpy_includedir],
#library_dirs = [],
#runtime_library_dirs = [],
libraries = ['qmckl'],
extra_compile_args = ['-Wall'],
#extra_link_args = [h5_ldflags],
swig_opts = ['-py3'],
depends = [ join('src', 'qmckl.h') ],
language = 'c'
)
setup(name = mod_name,
version = '0.2.0',
author = "TREX-CoE",
author_email = "posenitskiy@irsamc.ups-tlse.fr",
description = """Python API of the QMCkl library""",
long_description = long_description,
long_description_content_type = "text/markdown",
ext_modules = [pyqmckl_module],
py_modules = [mod_name],
#package_dir = {"" : "src"},
packages = ['pyqmckl'],
url = 'https://github.com/TREX-CoE/qmckl',
license = 'BSD',
classifiers=[
"Intended Audience :: Science/Research",
"Intended Audience :: Developers",
"Topic :: Scientific/Engineering",
"Programming Language :: C",
"Programming Language :: Python",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3 :: Only",
"Programming Language :: Python :: Implementation :: CPython",
"License :: OSI Approved :: BSD License",
"Operating System :: POSIX",
"Operating System :: Unix",
"Operating System :: MacOS"
],
python_requires = ">=3.0",
install_requires = ['numpy>=1.17.3']
)