mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-11-03 20:54:07 +01:00
minor fixed in setup script to be compatible with Docker containers
+ replaced dependency on h5py with numpy
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parent
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@ -18,11 +18,11 @@ VERSIONFILE = "pytrexio/_version.py"
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try:
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exec(open(VERSIONFILE).read())
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except:
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raise IOError(f"Could not open the version file {VERSIONFILE}.")
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raise IOError("Could not open the version file %s." % (VERSIONFILE, ))
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version_r = __version__
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if not version_r:
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raise RuntimeError(f"Unable to find a version string in {VERSIONFILE}.")
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raise RuntimeError("Unable to find a version string in %s." % (VERSIONFILE, ))
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# =========================== Start of the HDF5 block =========================== #
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@ -55,10 +55,16 @@ h5_ldflags = h5_ldflags_withl.split(" ")[0]
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# ============================ End of the HDF5 block ============================ #
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# we need to explicitly provide an include path to the numpy headers in some environments (e.g. in Docker containers)
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try:
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from numpy import get_include as np_get_include
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except ImportError:
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raise Exception("numpy Python package has not been found")
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# Define pytrexio extension module based on TREXIO source codes + SWIG-generated wrapper
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pytrexio_module = Extension('pytrexio._pytrexio',
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sources = [os.path.join(srcpath, code) for code in c_files],
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include_dirs = [h5_cflags, srcpath],
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include_dirs = [h5_cflags, srcpath, np_get_include()],
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libraries = ['hdf5', 'hdf5_hl'],
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extra_compile_args = ['-Wno-discarded-qualifiers'],
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extra_link_args = [h5_ldflags]
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@ -72,6 +78,7 @@ setup(name = 'trexio',
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description = """Python API of the TREXIO library""",
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long_description = long_description,
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long_description_content_type = "text/markdown",
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install_requires = ['numpy'],
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ext_modules = [pytrexio_module],
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py_modules = ['trexio'],
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packages = ['pytrexio'],
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@ -82,7 +89,6 @@ setup(name = 'trexio',
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"Programming Language :: C",
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"License :: OSI Approved :: BSD License",
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"Operating System :: POSIX :: Linux"
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],
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install_requires = ['h5py']
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]
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)
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