Arch Linux User Repository

The comments here are only for issues with the AUR package and the PKGBUILD.
For problems with LAMMPS (including installation/compilation), you could try asking in the ##lammps IRC channel at freenode.net
https://lammps.sandia.gov/irc.html

Could you add _BUILD_GUI or something similar that enables building of the Qt GUI (-DBUILD_LAMMPS_GUI=ON)?

I have decided to become the maintainer of this package. If you have any suggestions, feel free to post it.

Fair enough, thanks anyways!

Hi @sgsaenger , I prefer not to make any changes to the default configuration, and decided that the bare setup is best. Since this is an AUR build-script, people are free to tack-on whatever options they like. You could add this package as an 'optional' dependency, and instruct users of your package to add those options. People installing stuff from the AUR should at-least be able to do that anyway.

Hi, thanks for maintaining this package.

I have a package depending on lammps (vipster) and would welcome if this could depend on a global lammps installation. Would you mind adding -DBUILD_SHARED_LIBS=ON -DLAMMPS_EXCEPTIONS=ON to the build?

Also, are you aware of the cmake presets provided by lammps? I guess you like to keep the unbiased nature of lammps, but it may be useful to at least include minimal.cmake to cover most basic use cases (currently includes MOLECULE, KSPACE, RIGID and MANYBODY).

Thanks for considering!

The comments here are only for issues with the AUR package and the PKGBUILD.
For problems with LAMMPS (including installation/compilation), you could try asking in the ##lammps IRC channel at freenode.net
https://lammps.sandia.gov/irc.html

@Scatola Put all your options above the comment. I should make that a bit more obvious in that statement.

@physkets First of all thanks for maintaining this package! I'm trying to build and install LAMMPS with additional packages I need (in particular MOLECULE, KSPACE, and RIGID), hence I'm using your PKGBUILD to do so.

I've modified the build function as follow (following what you have done):

build() {
    cd "${pkgname}-stable_${_pkgver}/build"
    cmake ../cmake \
        -DCMAKE_INSTALL_PREFIX="/usr" \
        -DCMAKE_INSTALL_LIBDIR="lib" \
        -DCMAKE_INSTALL_LIBEXECDIR="/usr/lib" \
        "${_feature_args[@]}" \
        # Add options for additional packages
        -DPKG_MOLECULE=yes \
        -DPKG_KSPACE=yes \
        -DPKG_RIGID=yes \
    make

But once I go with "makepkg -si" I get:

line 78: -DPKG_MOLECULE=yes: command not found

And the building is aborted. What is the problem?

@physkets tnak you for your work! It is working perfectly now!