From ab21c69057389efaab48968c661b02b6a66a8aa1 Mon Sep 17 00:00:00 2001 From: Peder Bergebakken Sundt Date: Sat, 3 May 2025 23:31:48 +0200 Subject: [PATCH 1/2] autodock-vina: pin boost --- pkgs/applications/science/chemistry/autodock-vina/default.nix | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/pkgs/applications/science/chemistry/autodock-vina/default.nix b/pkgs/applications/science/chemistry/autodock-vina/default.nix index a084459cc1d7..9225c94c9419 100644 --- a/pkgs/applications/science/chemistry/autodock-vina/default.nix +++ b/pkgs/applications/science/chemistry/autodock-vina/default.nix @@ -2,11 +2,11 @@ lib, stdenv, fetchFromGitHub, - boost, + boost186, glibc, }: let - boost' = boost.override { + boost' = boost186.override { enableShared = false; }; in From 2cba7337ec15363dce94faf1ce24641cf84448fd Mon Sep 17 00:00:00 2001 From: Peder Bergebakken Sundt Date: Sat, 3 May 2025 21:58:35 +0200 Subject: [PATCH 2/2] autodock-vina: 1.2.6 -> 1.2.7 fixes https://hydra.nixos.org/build/285986633 --- .../science/chemistry/autodock-vina/default.nix | 6 ++++-- .../science/chemistry/autodock-vina/python-bindings.nix | 5 ++++- 2 files changed, 8 insertions(+), 3 deletions(-) diff --git a/pkgs/applications/science/chemistry/autodock-vina/default.nix b/pkgs/applications/science/chemistry/autodock-vina/default.nix index 9225c94c9419..4720d536351e 100644 --- a/pkgs/applications/science/chemistry/autodock-vina/default.nix +++ b/pkgs/applications/science/chemistry/autodock-vina/default.nix @@ -12,13 +12,13 @@ let in stdenv.mkDerivation (finalAttrs: { pname = "autodock-vina"; - version = "1.2.6"; + version = "1.2.7"; src = fetchFromGitHub { owner = "ccsb-scripps"; repo = "autodock-vina"; tag = "v${finalAttrs.version}"; - hash = "sha256-Y0whqBecZt5D/5HEfL005rCq4lAJTr2mUxy5rygCEtc="; + hash = "sha256-AQJl/EUAkdIQJZSN27sbjG7dYbQxeEb8Pd+p2kKRnvA="; }; sourceRoot = "${finalAttrs.src.name}/build/${ @@ -47,6 +47,8 @@ stdenv.mkDerivation (finalAttrs: { runHook postInstall ''; + passthru.boost = boost'; + meta = with lib; { description = "One of the fastest and most widely used open-source docking engines"; homepage = "https://vina.scripps.edu/"; diff --git a/pkgs/applications/science/chemistry/autodock-vina/python-bindings.nix b/pkgs/applications/science/chemistry/autodock-vina/python-bindings.nix index 2fa26286e53f..2b57a7d3f89b 100644 --- a/pkgs/applications/science/chemistry/autodock-vina/python-bindings.nix +++ b/pkgs/applications/science/chemistry/autodock-vina/python-bindings.nix @@ -2,12 +2,15 @@ lib, buildPythonPackage, autodock-vina, - boost, swig, setuptools, numpy, }: +let + inherit (autodock-vina) boost; +in + buildPythonPackage { inherit (autodock-vina) pname