@@ -4313,71 +4313,80 @@ \section{Using \lammpsgui{}}
43134313
43144314\subsection {Installation }
43154315
4316- Precompiled versions of LAMMPS--GUI are available for Linux, {macOS}, and
4317- Windows. The Linux version is provided in two formats: as compressed tar
4318- archive (.tar.gz) and as a Flatpak bundle~\cite {flatpak_home }. The {macOS}
4319- version is distributed as a .dmg installer image, while the Windows version comes
4320- as an executable installer package.
4316+ Precompiled versions of \lammpsgui {} are available for Linux, {macOS},
4317+ and Windows on the LAMMPS GitHub Release
4318+ page~\cite {lammps_github_release }. The Linux version is provided in two
4319+ formats: as compressed tar archive (.tar.gz) and as a Flatpak
4320+ bundle~\cite {flatpak_home }. The {macOS} version is distributed as a
4321+ .dmg installer image, while the Windows version comes as an executable
4322+ installer package.
43214323
4322- \subsubsection {Installing the Linux .tar.gz variant }
4324+ \subsubsection {Installing the Linux .tar.gz Package }
43234325
4324- Download the archive (e.g.,~LAMMPS-Linux-x86\_ 64-GUI-29Aug2024\_ update1 .tar.gz)
4326+ Download the archive (e.g.,~LAMMPS-Linux-x86\_ 64-GUI-29Aug2024\_ update2 .tar.gz)
43254327and unpack it. This will create a folder named LAMMPS\_ GUI containing the
43264328included commands, which can be launched directly using `` ./lammps-gui'' or
43274329`` ./lmp'' , for example. Adding this folder to the PATH environment
43284330variable will make these commands accessible from everywhere, without the
43294331need for the `` ./'' prefix.
43304332
4331- \subsubsection {Installing Linux .flatpak variant }
4333+ \subsubsection {Installing the Linux Flatpak Bundle }
43324334
4333- Download the bundle file and then install it using the following command:
4334- \ begin{lstlisting}
4335+ You have to have Flatpak support installed on Linux machine to be able
4336+ to use the Flatpak bundle. Download the bundle file
4337+ (e.g.,~LAMMPS-Linux-x86\_ 64-GUI-29Aug2024\_ update2.flatpak) and then
4338+ install it using the following command:
4339+ \ begin{lstlisting} [language=tcl]
43354340flatpak install --user \
4336- LAMMPS-Linux-x86_64-GUI-29Aug2024_update1 .flatpak
4341+ LAMMPS-Linux-x86_64-GUI-29Aug2024_update2 .flatpak
43374342\end {lstlisting }
4338- This will integrate LAMMPS--GUI into your desktop environment
4343+ This will integrate \lammpsgui {} into your desktop environment
43394344(e.g.,~GNOME, KDE, XFCE) where it should appear in the `` Applications''
43404345menu under `` Science'' . Additionally, the `` .lmp'' file extension will be
4341- registered to launch LAMMPS--GUI when opening a file with this
4342- extension in the desktop's file manager. You can then
4343- launch LAMMPS--GUI from the command line using the following command:
4344- \ begin{lstlisting}
4346+ registered to launch \lammpsgui {} when opening a file with this
4347+ extension in the desktop's file manager.
4348+
4349+ You can also launch \lammpsgui {} from the command line using the following command:
4350+ \ begin{lstlisting} [language=tcl]
43454351flatpak run org.lammps.lammps-gui
43464352\end {lstlisting }
4347- Similarly, for the LAMMPS command-line version , use:
4348- \ begin{lstlisting}
4353+ Similarly, for launching the LAMMPS command-line executable , use:
4354+ \ begin{lstlisting} [language=tcl]
43494355flatpak run --command=lmp org.lammps.lammps-gui -in in.lmp
43504356\end {lstlisting }
43514357
4352- \subsubsection {Installing the macOS .dmg package }
4358+ \subsubsection {Installing the macOS Application Bundle }
43534359
4354- After downloading the LAMMPS-macOS-multiarch-GUI-29Aug2024\_ update1.dmg file,
4355- double-click on it and then drag the LAMMPS\_ GUI app bundle
4356- into the Applications folder shown in the dialog that opens. To
4357- enable command-line access, follow the instructions in the README.txt
4358- file.
4360+ After downloading the macOS app bundle image file
4361+ (e.g.,~LAMMPS-macOS-multiarch-GUI-29Aug2024\_ update2.dmg), double-click
4362+ on it. In the dialog that opens drag the LAMMPS\_ GUI app bundle into
4363+ the Applications folder. To enable command-line access, follow the
4364+ instructions in the README.txt file. These macOS app-bundles contain
4365+ native executables for both, Intel and Apple CPUs.
43594366
43604367After installation, you can launch LAMMPS\_ GUI from the Applications
4361- folder. Additionally, you can drag an input file onto the app or open files with the
4362- `` .lmp'' extension. Note that the LAMMPS--GUI bundle is currently not
4363- cryptographically signed, so macOS may initially prevent it from launching.
4364- If this happens, you can adjust the settings in the `` Security \& Privacy" system
4365- preferences dialog to allow access.
4366-
4367- \subsubsection {Installing the Windows .exe package }
4368-
4369- Download the LAMMPS-Win10-64bit-GUI-29Aug2024\_ update.exe installer.
4370- Windows may warn you that the file is from an unknown developer
4371- and was downloaded from the internet. This happens because neither the
4372- installer nor the LAMMPS--GUI application (or any other applications inside)
4373- have been cryptographically signed. You will need to choose to keep the file,
4374- and when launching the installer again, confirm that you want to run it despite the warning.
4375-
4376- After installation, a new entry should appear in the Start menu. Additionally,
4377- the `` .lmp'' file extension should be registered with Windows File
4378- Explorer to open LAMMPS--GUI when opening a file with that
4379- extension. The `` lammps-gui'' and `` lmp'' commands should also be available
4380- in the command line, either in a Command Prompt or Terminal window.
4368+ folder. Additionally, you can drag an input file onto the app or open
4369+ files with the `` .lmp'' extension. Note that the \lammpsgui {} app bundle is
4370+ currently not cryptographically signed, so macOS may initially prevent
4371+ it from launching. If this happens, you need to adjust the settings in
4372+ the `` Security \& Privacy" system preferences dialog to allow access.
4373+
4374+ \subsubsection {Installing the Windows package }
4375+
4376+ Download the \lammpsgui {} installer for Windows
4377+ (e.g.,~LAMMPS-Win10-64bit-GUI-29Aug2024\_ update2.exe). Windows may warn
4378+ you that the file is from an unknown developer and was downloaded from
4379+ the internet. This happens because neither the installer nor the
4380+ \lammpsgui {} application (or any other included applications) have been
4381+ cryptographically signed. You will need to choose to keep the file, and
4382+ when launching the installer, confirm that you want to run it despite
4383+ the warning.
4384+
4385+ After installation, a new entry should appear in the Start menu.
4386+ Additionally, the `` .lmp'' file extension should be registered with
4387+ Windows File Explorer to open \lammpsgui {} when opening a file with the
4388+ `` .lmp`` extension. The `` lammps-gui'' and `` lmp'' commands should also
4389+ be available in the command line.
43814390
43824391\subsection {Opening, Editing, and Saving Files }
43834392
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