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{ clangStdenv, stdenv, fetchFromGitHub, catch2, rang, fmt, libyamlcpp, cmake
, eigen, lua, luaPackages, liblapack, blas, lib, boost, gsl }:
clangStdenv.mkDerivation rec {
version = "v1.0.1";
pname = "d-SEAMS";
src = fetchFromGitHub {
owner = "d-SEAMS";
repo = "seams-core";
rev = "v1.0.1";
sha256 = "03zhhl9vhi3rhc3qz1g3zb89jksgpdlrk15fcr8xcz8pkj6r5b1i";
};
enableParallelBuilding = true;
nativeBuildInputs = [ cmake lua luaPackages.luafilesystem ];
buildInputs = [ fmt rang libyamlcpp eigen catch2 boost gsl liblapack blas ];
meta = with stdenv.lib; {
description =
"d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations";
longDescription = ''
d-SEAMS, is a free and open-source postprocessing engine for the analysis
of molecular dynamics trajectories, which is specifically able to
qualitatively classify ice structures in both strong-confinement and bulk
systems. The engine is in C++, with extensions via the Lua scripting
interface.
'';
homepage = "https://dseams.info";
license = licenses.gpl3Plus;
platforms = [ "x86_64-linux" ];
maintainers = [ maintainers.HaoZeke ];
};
}
|
