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https://github.com/TREX-CoE/qmckl.git
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Local pip install works
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python/pyproject.toml
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python/pyproject.toml
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[build-system]
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requires = [
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"setuptools>=42",
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"wheel",
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"numpy>=1.17.3"
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]
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build-backend = "setuptools.build_meta"
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python/pyqmckl/__init__.py
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python/pyqmckl/__init__.py
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from .pyqmckl import *
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python/requirements.txt
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python/requirements.txt
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setuptools>=42
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numpy>=1.17.3
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python/setup.py
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python/setup.py
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#!/usr/bin/env python3
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"""
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setup.py file for pyqmckl package
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"""
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from setuptools import setup, Extension
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from os.path import join
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with open("README.md", "r") as fh:
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long_description = fh.read()
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mod_name = 'pyqmckl'
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# Define pyqmckl extension module based on TREXIO source codes + SWIG-generated wrapper
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pyqmckl_module = Extension(name = f'{mod_name}._{mod_name}', #f'_{mod_name}',
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#sources = [ join('src', mod_name + '_wrap.c') ],
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sources = [ join('src', f'{mod_name}.i') ],
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#include_dirs = [numpy_includedir],
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#library_dirs = [],
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#runtime_library_dirs = [],
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libraries = ['qmckl'],
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extra_compile_args = ['-Wall'],
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#extra_link_args = [h5_ldflags],
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swig_opts = ['-py3'],
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depends = [ join('src', 'qmckl.h') ],
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language = 'c'
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)
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setup(name = mod_name,
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version = '0.2.0',
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author = "TREX-CoE",
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author_email = "posenitskiy@irsamc.ups-tlse.fr",
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description = """Python API of the QMCkl library""",
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long_description = long_description,
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long_description_content_type = "text/markdown",
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ext_modules = [pyqmckl_module],
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py_modules = [mod_name],
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#package_dir = {"" : "src"},
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packages = ['pyqmckl'],
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url = 'https://github.com/TREX-CoE/qmckl',
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license = 'BSD',
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classifiers=[
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"Intended Audience :: Science/Research",
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"Intended Audience :: Developers",
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"Topic :: Scientific/Engineering",
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"Programming Language :: C",
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"Programming Language :: Python",
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"Programming Language :: Python :: 3",
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"Programming Language :: Python :: 3 :: Only",
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"Programming Language :: Python :: Implementation :: CPython",
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"License :: OSI Approved :: BSD License",
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"Operating System :: POSIX",
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"Operating System :: Unix",
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"Operating System :: MacOS"
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],
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python_requires = ">=3.0",
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install_requires = ['numpy>=1.17.3']
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)
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