Transform LAMMPS Python module into package
- Moves lammps.py into its own package - Imports entire module in __init__.py - Changes both how legacy and CMake build systems install - Added traditional setup.py for Python-only installation Note: the CMake install target runs setup.py build and install in a way that produces files in CMAKE_BINARY_DIR/python instead of python/build. This is to maintain out-of-source compilation support.
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python/setup.py
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26
python/setup.py
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# this only installs the LAMMPS python package
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# it assumes the LAMMPS shared library is already installed
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from distutils.core import setup
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import os
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LAMMPS_PYTHON_DIR = os.path.dirname(os.path.realpath(__file__))
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LAMMPS_DIR = os.path.dirname(LAMMPS_PYTHON_DIR)
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LAMMPS_SOURCE_DIR = os.path.join(LAMMPS_DIR, 'src')
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def get_lammps_version():
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with open(os.path.join(LAMMPS_SOURCE_DIR, 'version.h'), 'r') as f:
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line = f.readline()
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start_pos = line.find('"')+1
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end_pos = line.find('"', start_pos)
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return "".join(line[start_pos:end_pos].split())
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setup(
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name = "lammps",
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version = get_lammps_version(),
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author = "Steve Plimpton",
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author_email = "sjplimp@sandia.gov",
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url = "https://lammps.sandia.gov",
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description = "LAMMPS Molecular Dynamics Python package",
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license = "GPL",
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packages=["lammps"]
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)
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