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| Name: lammps-data | Distribution: openSUSE Tumbleweed |
| Version: 20250722.03 | Vendor: openSUSE |
| Release: 1.2 | Build date: Thu Mar 19 07:47:35 2026 |
| Group: Productivity/Scientific/Chemistry | Build host: reproducible |
| Size: 90166414 | Source RPM: lammps-20250722.03-1.2.src.rpm |
| Packager: https://bugs.opensuse.org | |
| Url: https://lammps.sandia.gov | |
| Summary: LAMMPS data | |
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. This subpackage contains LAMMPS's potential files
GPL-2.0-only AND GPL-3.0-or-later
* Thu Mar 19 2026 Atri Bhattacharya <badshah400@gmail.com>
- Update to version 20250722.03 (stable_22Jul2025):
* Update list of installed header files and generated CMake
configuration files.
* Improvements and corrections for creating binary packages on
Linux.
* Backport INTERLAYER package bugfix.
* Backport KOKKOS MEAM hybrid indexing bugfix.
* Backport of GPU package corrections to exclusion handling and
similar from upstream.
* backport pair hybrid and bond hybrid extra value bugfix from
upstream.
* Bugfix for fix rigid/small with langevin option.
* Bugfix for set image. Fixes gh#lammps/lammps#4834.
* Bugfix for compiling SCAFACOS package.
* Correctly accept kspace_modify splittol which was named eigtol
in the source code.
* avoid segfault when using fix shake during minimization
without stats output.
* Disallow use of INTEL package pair styles with MC package
fixes that call Pair::compute().
* Add GitHub workflow for testing compilation with GNU make
build system.
* Reduce ccache sizes for GitHub runners to 3GB.
* Backport CMake and packaging corrections from upstream.
* Backport of LAMMPS-GUI fixes and selected improvements from
upstream and label version as 1.7.3.
- Disable tests temporarily as they time-out on OBS (cause under
investigation).
* Tue May 06 2025 Atri Bhattacharya <badshah400@gmail.com>
- Do not let minor tolerance issues in tests on non-x86_64 archs
abort builds (gh#lammps/lammps#2383, gh#lammps/lammps#2978).
* Mon May 05 2025 Atri Bhattacharya <badshah400@gmail.com>
- Adapt package version to reflect upstream releases; example:
the current version 20240829.02 reflects upstream's (weirdly but
consistently named) stable_29Aug2024_update2 tag.
- Implement python packaging using python rpm macros (for now
default python3-* only).
- Enable a few non-expensive modules (in terms of build
dependencies): compress (depends on gzip, libzstd), manybody,
molecule (needed for python tests), extra-molecule, and lepton.
- Drop a few unnecessary build dependencies: intel-opencl-devel,
armnn-opencl-devel.
- Add lammps-allow-system-gtest.patch to allow using system
installed gtest/gmock for tests. Note that upstream seems to be
reticent about this (gh#lammps/lammps#3540), but we have no
choice if we want to run tests. So, mark our patch as
PATCH-FEATURE-OPENSUSE for now.
- Use pkgconfig based BuildRequires wherever possible.
- Use ninja for build.
- Define and use macro for shared library name consistency.
- Disable MPI on i586 to resolve builds (missing
openmpi-macros-devel).
* Tue Mar 18 2025 Matej Cepl <mcepl@cepl.eu>
- Update to stable_29Aug2024_update2:
* Too many changes to list, see
<https://github.com/lammps/lammps/releases/tag/stable_29Aug2024>
* Mon May 15 2023 Christoph Junghans <junghans@votca.org>
- Disable kokkos support until the next release will support
kokkos-4
* Wed Dec 07 2022 Stefan Brüns <stefan.bruens@rwth-aachen.de>
- Add Conflicts and Provides to allow upgrade of python package
without conflict.
- Reenable Fortran tests.
- Cleanup spec file.
- Ignore test failures on ix86.
* Wed Dec 07 2022 Steve Kowalik <steven.kowalik@suse.com>
- Do not provide Python 2 package names for Python 3 packages.
- Skip Fortran tests for now.
* Tue Nov 23 2021 Steve Kowalik <steven.kowalik@suse.com>
- Switch to Python 3:
* Rename package to python3-lammps.
* Fri Oct 08 2021 Guillaume GARDET <guillaume.gardet@opensuse.org>
- Disable kokkos on %{arm}
* Fri Oct 01 2021 Nicolas Morey-Chaisemartin <nmoreychaisemartin@suse.com>
- Use openmpi macros to always build with the default openmpi version.
/etc/profile.d/lammps.csh /etc/profile.d/lammps.sh /usr/share/lammps /usr/share/lammps/bench /usr/share/lammps/bench/Cu_u3.eam /usr/share/lammps/bench/POTENTIALS /usr/share/lammps/bench/POTENTIALS/CH.airebo /usr/share/lammps/bench/POTENTIALS/CH.rebo /usr/share/lammps/bench/POTENTIALS/CdTe.bop.table /usr/share/lammps/bench/POTENTIALS/Cu_u3.eam /usr/share/lammps/bench/POTENTIALS/Ni.adp /usr/share/lammps/bench/POTENTIALS/Ni.meam /usr/share/lammps/bench/POTENTIALS/README /usr/share/lammps/bench/POTENTIALS/Si.sw /usr/share/lammps/bench/POTENTIALS/Si.tersoff /usr/share/lammps/bench/POTENTIALS/data.airebo /usr/share/lammps/bench/POTENTIALS/data.comb /usr/share/lammps/bench/POTENTIALS/data.eff /usr/share/lammps/bench/POTENTIALS/data.eim /usr/share/lammps/bench/POTENTIALS/data.fene /usr/share/lammps/bench/POTENTIALS/data.gb /usr/share/lammps/bench/POTENTIALS/data.granular /usr/share/lammps/bench/POTENTIALS/data.protein /usr/share/lammps/bench/POTENTIALS/data.reax /usr/share/lammps/bench/POTENTIALS/data.rebo /usr/share/lammps/bench/POTENTIALS/data.spce /usr/share/lammps/bench/POTENTIALS/ffield.comb /usr/share/lammps/bench/POTENTIALS/ffield.eim /usr/share/lammps/bench/POTENTIALS/ffield.reax /usr/share/lammps/bench/POTENTIALS/in.adp /usr/share/lammps/bench/POTENTIALS/in.airebo /usr/share/lammps/bench/POTENTIALS/in.bop /usr/share/lammps/bench/POTENTIALS/in.comb /usr/share/lammps/bench/POTENTIALS/in.dpd /usr/share/lammps/bench/POTENTIALS/in.eam /usr/share/lammps/bench/POTENTIALS/in.eff /usr/share/lammps/bench/POTENTIALS/in.eim /usr/share/lammps/bench/POTENTIALS/in.fene /usr/share/lammps/bench/POTENTIALS/in.gb /usr/share/lammps/bench/POTENTIALS/in.granular /usr/share/lammps/bench/POTENTIALS/in.lj /usr/share/lammps/bench/POTENTIALS/in.meam /usr/share/lammps/bench/POTENTIALS/in.peri /usr/share/lammps/bench/POTENTIALS/in.protein /usr/share/lammps/bench/POTENTIALS/in.reaxc /usr/share/lammps/bench/POTENTIALS/in.rebo 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/usr/share/lammps/bench/POTENTIALS/log.9Oct20.eim.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.fene.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.fene.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.gb.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.gb.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.granular.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.granular.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.lj.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.lj.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.meam.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.meam.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.peri.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.peri.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.protein.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.protein.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.reaxc.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.reaxc.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.rebo.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.rebo.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.spce.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.spce.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.sw.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.sw.4 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.tersoff.1 /usr/share/lammps/bench/POTENTIALS/log.9Oct20.tersoff.4 /usr/share/lammps/bench/README /usr/share/lammps/bench/data.chain /usr/share/lammps/bench/data.chute /usr/share/lammps/bench/data.rhodo /usr/share/lammps/bench/in.chain /usr/share/lammps/bench/in.chain.scaled /usr/share/lammps/bench/in.chute /usr/share/lammps/bench/in.chute.scaled /usr/share/lammps/bench/in.eam /usr/share/lammps/bench/in.lj /usr/share/lammps/bench/in.rhodo /usr/share/lammps/bench/in.rhodo.scaled /usr/share/lammps/bench/log.15Jul25.chain.fixed.g++.1 /usr/share/lammps/bench/log.15Jul25.chain.fixed.g++.4 /usr/share/lammps/bench/log.15Jul25.chain.scaled.g++.4 /usr/share/lammps/bench/log.15Jul25.chute.fixed.g++.1 /usr/share/lammps/bench/log.15Jul25.chute.fixed.g++.4 /usr/share/lammps/bench/log.15Jul25.chute.scaled.g++.4 /usr/share/lammps/bench/log.15Jul25.eam.fixed.g++.1 /usr/share/lammps/bench/log.15Jul25.eam.fixed.g++.4 /usr/share/lammps/bench/log.15Jul25.eam.scaled.g++.4 /usr/share/lammps/bench/log.15Jul25.lj.fixed.g++.1 /usr/share/lammps/bench/log.15Jul25.lj.fixed.g++.4 /usr/share/lammps/bench/log.15Jul25.lj.scaled.g++.4 /usr/share/lammps/bench/log.15Jul25.rhodo.fixed.g++.1 /usr/share/lammps/bench/log.15Jul25.rhodo.fixed.g++.4 /usr/share/lammps/bench/log.15Jul25.rhodo.scaled.g++.4 /usr/share/lammps/frc_files /usr/share/lammps/frc_files/README /usr/share/lammps/frc_files/cff91.frc /usr/share/lammps/frc_files/clayff.frc /usr/share/lammps/frc_files/compass_published.frc /usr/share/lammps/frc_files/cvff.frc /usr/share/lammps/frc_files/cvff_aug.frc /usr/share/lammps/frc_files/oplsaa.frc /usr/share/lammps/frc_files/pcff.frc /usr/share/lammps/frc_files/pcff.rlb /usr/share/lammps/frc_files/pcff_templates.dat /usr/share/lammps/potentials /usr/share/lammps/potentials/Ag_u3.eam /usr/share/lammps/potentials/AlCu.adp /usr/share/lammps/potentials/AlCu.bop.table /usr/share/lammps/potentials/AlCu.eam.alloy /usr/share/lammps/potentials/AlCuH.bop.table /usr/share/lammps/potentials/AlFe_mm.eam.fs /usr/share/lammps/potentials/AlO.eam.alloy /usr/share/lammps/potentials/AlO.streitz /usr/share/lammps/potentials/AlSiMgCuFe.meam /usr/share/lammps/potentials/Al_Batra_2019.agni /usr/share/lammps/potentials/Al_jnp.eam /usr/share/lammps/potentials/Al_jpc.agni /usr/share/lammps/potentials/Al_mm.eam.fs /usr/share/lammps/potentials/Al_prb.agni /usr/share/lammps/potentials/Al_zhou.eam.alloy /usr/share/lammps/potentials/Au_u3.eam /usr/share/lammps/potentials/BN.extep /usr/share/lammps/potentials/BNC.tersoff /usr/share/lammps/potentials/BNCH-old.ILP /usr/share/lammps/potentials/BNCH.ILP /usr/share/lammps/potentials/BNC_MBD_bulk.ILP /usr/share/lammps/potentials/BNC_TS_bulk.ILP /usr/share/lammps/potentials/Bi.meam /usr/share/lammps/potentials/C.drip /usr/share/lammps/potentials/C.lcbop /usr/share/lammps/potentials/CBNOH.aip.water.2dm /usr/share/lammps/potentials/CC.KC /usr/share/lammps/potentials/CC.KC-full /usr/share/lammps/potentials/CC.Lebedeva /usr/share/lammps/potentials/CCu_v2.bop.table /usr/share/lammps/potentials/CH.KC /usr/share/lammps/potentials/CH.airebo /usr/share/lammps/potentials/CH.airebo-m /usr/share/lammps/potentials/CH.rebo /usr/share/lammps/potentials/CHAu.ILP /usr/share/lammps/potentials/CH_taper.KC /usr/share/lammps/potentials/COH.DMC.aip.water.2dm /usr/share/lammps/potentials/C_SNAP_2021.10.15.quadratic.snapcoeff /usr/share/lammps/potentials/C_SNAP_2021.10.15.quadratic.snapparam /usr/share/lammps/potentials/CdTe.bop.table /usr/share/lammps/potentials/CdTe.sw /usr/share/lammps/potentials/CdTeSe.bop.table /usr/share/lammps/potentials/CdTeZn.bop.table /usr/share/lammps/potentials/CdTeZnSeHgS0.sw /usr/share/lammps/potentials/CdZnTe_v1.bop.table /usr/share/lammps/potentials/CdZnTe_v2.bop.table /usr/share/lammps/potentials/CoAl.eam.alloy /usr/share/lammps/potentials/Cu-PBE-core-rep.ace /usr/share/lammps/potentials/Cu.meam /usr/share/lammps/potentials/Cu.nn.mliap.model /usr/share/lammps/potentials/Cu.snap.mliap.descriptor /usr/share/lammps/potentials/CuH.bop.table /usr/share/lammps/potentials/CuNi.eam.alloy /usr/share/lammps/potentials/CuTa.eam.alloy /usr/share/lammps/potentials/CuTa_eam.poly /usr/share/lammps/potentials/CuZr_mm.eam.fs /usr/share/lammps/potentials/Cu_Huan_2019_fp1.agni /usr/share/lammps/potentials/Cu_Huan_2019_fp2.agni /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.quadratic.snap /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.quadratic.snapcoeff /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.quadratic.snapparam /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.snap /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.snapcoeff /usr/share/lammps/potentials/Cu_Zuo_JPCA2020.snapparam 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Fabrice Bellet, Tue Apr 21 22:23:10 2026