42 lines
1.5 KiB
Nix
42 lines
1.5 KiB
Nix
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{ clangStdenv, fetchFromGitHub, fetchpatch, catch2, rang, fmt, yaml-cpp, cmake
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, eigen, lua, luaPackages, liblapack, blas, lib, boost, gsl }:
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clangStdenv.mkDerivation rec {
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version = "1.0.1";
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pname = "d-SEAMS";
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src = fetchFromGitHub {
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owner = "d-SEAMS";
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repo = "seams-core";
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rev = "v${version}";
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sha256 = "03zhhl9vhi3rhc3qz1g3zb89jksgpdlrk15fcr8xcz8pkj6r5b1i";
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};
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patches = [
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(fetchpatch {
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name = "use_newer_cxxopts_which_builds_with_clang11.patch";
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url = "https://github.com/d-SEAMS/seams-core/commit/f6156057e43d0aa1a0df9de67d8859da9c30302d.patch";
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hash = "sha256-PLbT1lqdw+69lIHH96MPcGRjfIeZyb88vc875QLYyqw=";
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})
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];
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nativeBuildInputs = [ cmake lua luaPackages.luafilesystem ];
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buildInputs = [ fmt rang yaml-cpp eigen catch2 boost gsl liblapack blas ];
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meta = with lib; {
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description =
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"d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations";
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mainProgram = "yodaStruct";
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longDescription = ''
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d-SEAMS, is a free and open-source postprocessing engine for the analysis
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of molecular dynamics trajectories, which is specifically able to
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qualitatively classify ice structures in both strong-confinement and bulk
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systems. The engine is in C++, with extensions via the Lua scripting
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interface.
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'';
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homepage = "https://dseams.info";
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license = licenses.gpl3Plus;
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platforms = [ "x86_64-linux" ];
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maintainers = [ maintainers.HaoZeke ];
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};
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}
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