35 lines
1.2 KiB
Nix
35 lines
1.2 KiB
Nix
|
{ 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 ];
|
||
|
|
};
|
||
|
|
}
|