70 lines
2.7 KiB
Plaintext
70 lines
2.7 KiB
Plaintext
LAMMPS and LAMMPS GUI universal binaries for macOS (arm64/x86_64)
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=================================================================
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This package provides universal binaries of LAMMPS and LAMMPS GUI that should
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run on macOS systems running running macOS version 11 (Big Sur) or newer. Note
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the binaries are compiled without MPI support and contain a compatible subset
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of the available packages.
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The following individual commands are included:
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binary2txt lammps-gui lmp msi2lmp phana stl_bin2txt
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After copying the lammps-gui folder into your Applications folder, please follow
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these steps:
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1. Open the Terminal app
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2. Type the following command and press ENTER:
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open ~/.zprofile
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This will open a text editor for modifying the .zprofile file in your home
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directory.
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3. Add the following lines to the end of the file, save it, and close the editor
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LAMMPS_INSTALL_DIR=/Applications/LAMMPS.app/Contents
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LAMMPS_POTENTIALS=${LAMMPS_INSTALL_DIR}/share/lammps/potentials
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LAMMPS_BENCH_DIR=${LAMMPS_INSTALL_DIR}/share/lammps/bench
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MSI2LMP_LIBRARY=${LAMMPS_INSTALL_DIR}/share/lammps/frc_files
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PATH=${LAMMPS_INSTALL_DIR}/bin:$PATH
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export LAMMPS_POTENTIALS LAMMPS_BENCH_DIR PATH
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4. In your existing terminal, type the following command make the settings active
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source ~/.zprofile
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Note, you don't have to type this in new terminals, since they will apply
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the changes from .zprofile automatically.
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Note: the above assumes you use the default shell (zsh) that comes with
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MacOS. If you customized MacOS to use a different shell, you'll need to modify
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that shell's init file (.cshrc, .bashrc, etc.) instead with appropiate commands
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to modify the same environment variables.
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5. Try running LAMMPS (which might fail, see step 7)
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lmp -in ${LAMMPS_BENCH_DIR}/in.lj
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6. Try running the LAMMPS GUI
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lammps-gui ${LAMMPS_BENCH_DIR}/in.rhodo
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Depending on the size and resolution of your screen, the fonts may
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be too small to read. This can be adjusted by setting the environment
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variable QT_FONT_DPI. The default value would be 72, so to increase
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the fonts by a third one can add to the .zprofile file the line
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export QT_FONT_DPI=96
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and reload as shown above.
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7. Give permission to execute the commands (lmp, lammps-gui, msi2lmp, binary2txt, phana, stl_bin2txt)
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MacOS will likely block the initial run of the executables, since they
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were downloaded from the internet and are missing a known signature from an
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identified developer. Go to "Settings" and search for "Security settings". It
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should display a message that an executable like "lmp" was blocked. Press
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"Open anyway", which might prompt you for your admin credentials. Afterwards
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"lmp" and the other executables should work as expected.
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