Package Details: lammps 20201029-1

Git Clone URL: https://aur.archlinux.org/lammps.git (read-only, click to copy)
Package Base: lammps
Description: Large-scale Atomic/Molecular Massively Parallel Simulator
Upstream URL: https://lammps.sandia.gov/
Keywords: physics simulation
Licenses: GPL
Submitter: gucong
Maintainer: physkets
Last Packager: physkets
Votes: 8
Popularity: 0.001978
First Submitted: 2013-04-05 23:32
Last Updated: 2020-10-29 06:33

Pinned Comments

physkets commented on 2020-04-15 06:03

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

Latest Comments

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physkets commented on 2020-04-15 06:03

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

physkets commented on 2020-04-15 06:00

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

Scatola commented on 2020-04-14 18:25

@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?

AG_Caesar commented on 2019-03-20 09:59

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

physkets commented on 2019-03-18 12:46

The issue with the date should now be fixed. I hard-coded it as 12Dec2018, and I will change it along with a version bump.

physkets commented on 2019-03-18 11:40

I just changed the versioning scheme, switched to building with cmake, and added a mechanism to build the documentation natively. There has not been a version bump, so you do not have to build and install this version, if you don't want to. Although if you do, it will just be simpler when the next version bump happens.

Also note that setting _ENABLE_KIM=1 will not work right now, because the dependency package kim-api packages v2 of the API, while the current stable lammps uses v1. This will begin working fine from the next stable version. If you need it right now, use the lammps-beta AUR package.

physkets commented on 2019-03-18 11:21

@AG_Caesar That seems odd. It should be Dec, and not Dez. Might be a locale thing. What is yours? I might have to specify that.

Can you try this and tell me what the output is: ?

LC_TIME=C date -d 20181212 +%-d%b%Y

AG_Caesar commented on 2019-03-18 10:58

The latest build is broken. https://github.com/lammps/lammps/archive/stable_12Dez2018.tar.gz This does not exist

physkets commented on 2019-02-21 10:10

Is the fftw3.patch still relevant?

noirchen commented on 2018-12-28 01:32

The md5 should be updated, and also the directory should be updated.