2023-07-15 17:15:38 +00:00
|
|
|
{ lib
|
|
|
|
|
, stdenv
|
|
|
|
|
, fetchFromGitHub
|
|
|
|
|
, boost
|
|
|
|
|
, glibc
|
|
|
|
|
}:
|
|
|
|
|
let
|
|
|
|
|
boost' = boost.override {
|
|
|
|
|
enableShared = false;
|
|
|
|
|
};
|
|
|
|
|
in
|
|
|
|
|
stdenv.mkDerivation (finalAttrs: {
|
|
|
|
|
pname = "autodock-vina";
|
|
|
|
|
version = "1.2.5";
|
|
|
|
|
|
|
|
|
|
src = fetchFromGitHub {
|
|
|
|
|
owner = "ccsb-scripps";
|
|
|
|
|
repo = "autodock-vina";
|
|
|
|
|
rev = "refs/tags/v${finalAttrs.version}";
|
|
|
|
|
hash = "sha256-yguUMEX0tn75wKrPKyqlCYbBFaEwC5b1s3k9xept1Fw=";
|
|
|
|
|
};
|
|
|
|
|
|
2024-04-21 15:54:59 +00:00
|
|
|
sourceRoot = "${finalAttrs.src.name}/build/${
|
|
|
|
|
if stdenv.hostPlatform.isDarwin then "mac"
|
|
|
|
|
else "linux"
|
|
|
|
|
}/release";
|
2023-07-15 17:15:38 +00:00
|
|
|
|
|
|
|
|
buildInputs = [
|
|
|
|
|
boost'
|
|
|
|
|
] ++ lib.optionals stdenv.isLinux [
|
|
|
|
|
glibc.static
|
|
|
|
|
];
|
|
|
|
|
|
|
|
|
|
makeFlags = [
|
|
|
|
|
"GPP=${stdenv.cc.targetPrefix}c++"
|
|
|
|
|
"BASE=${boost'}"
|
|
|
|
|
"BOOST_INCLUDE=${lib.getDev boost'}/include"
|
|
|
|
|
];
|
|
|
|
|
|
|
|
|
|
installPhase = ''
|
|
|
|
|
runHook preInstall
|
|
|
|
|
|
|
|
|
|
install -Dm755 vina vina_split -t $out/bin/
|
|
|
|
|
|
|
|
|
|
runHook postInstall
|
|
|
|
|
'';
|
|
|
|
|
|
|
|
|
|
meta = with lib; {
|
|
|
|
|
description = "One of the fastest and most widely used open-source docking engines";
|
|
|
|
|
homepage = "https://vina.scripps.edu/";
|
|
|
|
|
changelog = "https://github.com/ccsb-scripps/AutoDock-Vina/releases/tag/v${finalAttrs.version}";
|
|
|
|
|
license = licenses.asl20;
|
|
|
|
|
maintainers = with maintainers; [ natsukium ];
|
|
|
|
|
platforms = platforms.unix;
|
|
|
|
|
mainProgram = "vina";
|
|
|
|
|
};
|
|
|
|
|
})
|
