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ff1a94e523
The nixpkgs-unstable channel's programs.sqlite was used to identify packages producing exactly one binary, and these automatically added to their package definitions wherever possible.
42 lines
1.5 KiB
Nix
42 lines
1.5 KiB
Nix
{ 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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