#!/usr/bin/env python3 """ setup.py file for TREXIO Python package """ import os from setuptools import setup, Extension # this was recommended to solve the problem of the missing numpy header files # bit it causes `pip install .` to fail with numpy module not found error #try: # import numpy #except ImportError: # raise Exception("numpy Python package cannot be imported.") #numpy_includedir = numpy.get_include() # this does not cause aforementioned issue but the includedir points to system-wide numpy and not to venv-wide #from distutils.sysconfig import get_python_inc #numpy_includedir = os.path.join(get_python_inc(plat_specific=1), 'numpy') # dirty workaround: get numpy includedir from the environment variable that can be pre-set using set_NUMPY_INCLUDEDIR.sh numpy_includedir = os.environ.get("NUMPY_INCLUDEDIR", None) numpy_isUndefined = numpy_includedir is None or numpy_includedir=="" if numpy_isUndefined: raise Exception("NUMPY_INCLUDEDIR environment variable is not specified. Please do it manually or execute set_NUMPY_INCLUDEDIR.sh script.") rootpath = os.path.dirname(os.path.abspath(__file__)) srcpath = os.path.join(rootpath, 'src') c_files = ['trexio.c', 'trexio_hdf5.c', 'trexio_text.c', 'pytrexio_wrap.c'] with open("README.md", "r") as fh: long_description = fh.read() VERSIONFILE = "pytrexio/_version.py" try: exec(open(VERSIONFILE).read()) except: raise IOError("Could not open the version file %s." % (VERSIONFILE, )) version_r = __version__ if not version_r: raise RuntimeError("Unable to find a version string in %s." % (VERSIONFILE, )) # =========================== Start of the HDF5 block =========================== # # The block below is needed to derive additional flags related to the HDF5 library, # which is required to build pytrexio extension module during the setup.py execution h5_ldflags_withl = os.environ.get("H5_LDFLAGS", None) h5_cflags_withI = os.environ.get("H5_CFLAGS", None) h5_ldflags_isUndefined = h5_ldflags_withl is None or h5_ldflags_withl=="" h5_cflags_isUndefined = h5_cflags_withI is None or h5_cflags_withI=="" if h5_ldflags_isUndefined or h5_cflags_isUndefined: try: import pkgconfig as pk except ImportError: raise Exception("pkgconfig Python package cannot be imported.") try: assert pk.exists('hdf5') except AssertionError: raise Exception("pkg-config could not locate HDF5") h5_cflags_withI = pk.cflags('hdf5') h5_ldflags_withl = pk.libs('hdf5') h5_cflags = h5_cflags_withI.replace("-I","").split(" ")[0] h5_ldflags = h5_ldflags_withl.split(" ")[0] # ============================ End of the HDF5 block ============================ # # Define pytrexio extension module based on TREXIO source codes + SWIG-generated wrapper pytrexio_module = Extension('pytrexio._pytrexio', sources = [os.path.join(srcpath, code) for code in c_files], include_dirs = [h5_cflags, srcpath, numpy_includedir], libraries = ['hdf5', 'hdf5_hl'], extra_compile_args = ['-Wno-discarded-qualifiers'], extra_link_args = [h5_ldflags] ) setup(name = 'trexio', version = version_r, author = "TREX-CoE", author_email = "posenitskiy@irsamc.ups-tlse.fr", description = """Python API of the TREXIO library""", long_description = long_description, long_description_content_type = "text/markdown", ext_modules = [pytrexio_module], py_modules = ['trexio'], packages = ['pytrexio'], url = 'https://github.com/TREX-CoE/trexio', 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 = ">=3.6", install_requires = ['numpy>=1.17.3'] )