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modified: INSTALL.md modified: README.md modified: build_release_zip.py modified: compute.py new file: doc/index.html modified: dynamics.py modified: engines/c/main.c modified: engines/cpp/main.cpp modified: engines/fortran/main.f90 modified: examples/case01/input/coord.txt renamed: examples/case01/input/parameters.yaml -> examples/case01/input/input.txt modified: examples/case01/run_dynamics.py new file: examples/case02/input/bond.txt new file: examples/case02/input/connection.txt new file: examples/case02/input/coord.txt new file: examples/case02/input/input.txt new file: examples/case02/run_dynamics.py
37 lines
821 B
Python
37 lines
821 B
Python
"""
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Build a lean Dynamics.zip package for the website download button.
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"""
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from __future__ import annotations
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import zipfile
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from pathlib import Path
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HERE = Path(__file__).resolve().parent
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ZIP_PATH = HERE.parent / "Dynamics-demo.zip"
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ARC_ROOT = "Dynamics"
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INCLUDE_FILES = [
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"README.md",
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"dynamics.py",
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"compute.py",
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"sample.py",
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"draw.py",
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"plot_trajectory.py",
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"examples\\case01\\input\\input.txt",
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"examples\\case01\\input\\coord.txt",
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]
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def main() -> None:
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with zipfile.ZipFile(ZIP_PATH, "w", compression=zipfile.ZIP_DEFLATED) as archive:
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for relative_name in INCLUDE_FILES:
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path = HERE / relative_name
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archive.write(path, arcname=f"{ARC_ROOT}/{relative_name}")
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print(f"[release] wrote {ZIP_PATH}")
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if __name__ == "__main__":
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main()
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