gentoo-overlay/sci-physics/lammps/metadata.xml

<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
	<longdescription lang="en">
		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. 
	</longdescription>
	<use>
		<flag name="lammps-memalign">Enables the use of the posix_memalign()
			call instead of malloc() when large chunks or memory are allocated
			by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
		<flag name="hip">Enable hip gpu computing support</flag>
		<flag name="extra">Additional compute, dump, fix, molecular, pair styles</flag>
		<!--<flag name="kokkos">Enable kokkos non-bonded kernels</flag>-->
	</use>
	<maintainer type="person">
		<email>nicolasbock@gentoo.org</email>
		<name>Nicolas Bock</name>
	</maintainer>
	<maintainer type="project">
		<email>sci-physics@gentoo.org</email>
		<name>Gentoo Physics Project</name>
	</maintainer>
	<upstream>
		<remote-id type="github">lammps/lammps</remote-id>
	</upstream>
</pkgmetadata>