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d14803303b
Bug: https://bugs.gentoo.org/907713 Signed-off-by: Denis Strizhkin <strdenis02@gmail.com> Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
38 lines
1.5 KiB
XML
38 lines
1.5 KiB
XML
<?xml version="1.0" encoding="UTF-8"?>
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<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
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<pkgmetadata>
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<longdescription lang="en">
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LAMMPS is a classical molecular dynamics code, and an acronym for
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Large-scale Atomic/Molecular Massively Parallel Simulator.
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LAMMPS has potentials for soft materials (biomolecules, polymers) and
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solid-state materials (metals, semiconductors) and coarse-grained or
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mesoscopic systems. It can be used to model atoms or, more generically,
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as a parallel particle simulator at the atomic, meso, or continuum
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scale.
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LAMMPS runs on single processors or in parallel using message-passing
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techniques and a spatial-decomposition of the simulation domain. The
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code is designed to be easy to modify or extend with new functionality.
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</longdescription>
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<use>
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<flag name="lammps-memalign">Enables the use of the posix_memalign()
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call instead of malloc() when large chunks or memory are allocated
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by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
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<flag name="hip">Enable hip gpu computing support</flag>
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<flag name="extra">Additional compute, dump, fix, molecular, pair styles</flag>
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<!--<flag name="kokkos">Enable kokkos non-bonded kernels</flag>-->
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</use>
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<maintainer type="person">
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<email>nicolasbock@gentoo.org</email>
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<name>Nicolas Bock</name>
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</maintainer>
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<maintainer type="project">
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<email>sci-physics@gentoo.org</email>
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<name>Gentoo Physics Project</name>
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</maintainer>
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<upstream>
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<remote-id type="github">lammps/lammps</remote-id>
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</upstream>
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</pkgmetadata>
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