40 lines
1.4 KiB
Nix
40 lines
1.4 KiB
Nix
{ clangStdenv, fetchFromGitHub, fetchpatch, catch2, rang, fmt, libyamlcpp, cmake
|
|
, eigen, lua, luaPackages, liblapack, blas, lib, boost, gsl }:
|
|
|
|
clangStdenv.mkDerivation rec {
|
|
version = "1.0.1";
|
|
pname = "d-SEAMS";
|
|
|
|
src = fetchFromGitHub {
|
|
owner = "d-SEAMS";
|
|
repo = "seams-core";
|
|
rev = "v${version}";
|
|
sha256 = "03zhhl9vhi3rhc3qz1g3zb89jksgpdlrk15fcr8xcz8pkj6r5b1i";
|
|
};
|
|
|
|
patches = [
|
|
(fetchpatch {
|
|
name = "use_newer_cxxopts_which_builds_with_clang11.patch";
|
|
url = "https://github.com/d-SEAMS/seams-core/commit/f6156057e43d0aa1a0df9de67d8859da9c30302d.patch";
|
|
hash = "sha256-PLbT1lqdw+69lIHH96MPcGRjfIeZyb88vc875QLYyqw=";
|
|
})
|
|
];
|
|
nativeBuildInputs = [ cmake lua luaPackages.luafilesystem ];
|
|
buildInputs = [ fmt rang libyamlcpp eigen catch2 boost gsl liblapack blas ];
|
|
|
|
meta = with 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 ];
|
|
};
|
|
}
|