From 7033262fa9abfeb0b8ccb6b77dc4e39f79682099 Mon Sep 17 00:00:00 2001 From: natsukium Date: Mon, 22 May 2023 13:59:22 +0900 Subject: [PATCH 1/3] python3Packages.rdkit: use boost182 instead of default --- pkgs/top-level/python-packages.nix | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix index ea9b6119e744..958e3a3cf9b1 100644 --- a/pkgs/top-level/python-packages.nix +++ b/pkgs/top-level/python-packages.nix @@ -10346,7 +10346,12 @@ self: super: with self; { rdflib = callPackage ../development/python-modules/rdflib { }; - rdkit = callPackage ../development/python-modules/rdkit { }; + rdkit = callPackage ../development/python-modules/rdkit { + boost = pkgs.boost182.override { + enablePython = true; + inherit python; + }; + }; re-assert = callPackage ../development/python-modules/re-assert { }; From af48b134fe4b14a3f85443accf5dad55d9e2c10b Mon Sep 17 00:00:00 2001 From: natsukium Date: Mon, 22 May 2023 16:15:42 +0900 Subject: [PATCH 2/3] python3Packages.rdkit: fix x86_64-darwin build --- pkgs/development/python-modules/rdkit/default.nix | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/pkgs/development/python-modules/rdkit/default.nix b/pkgs/development/python-modules/rdkit/default.nix index 07c18b5463a8..ee5de87d3305 100644 --- a/pkgs/development/python-modules/rdkit/default.nix +++ b/pkgs/development/python-modules/rdkit/default.nix @@ -1,4 +1,5 @@ { lib +, stdenv , buildPythonPackage , fetchFromGitHub , cmake @@ -15,6 +16,7 @@ , numpy , pandas , pillow +, memorymappingHook }: let external = { @@ -82,6 +84,8 @@ buildPythonPackage rec { buildInputs = [ boost cairo + ] ++ lib.optionals (stdenv.system == "x86_64-darwin") [ + memorymappingHook ]; propagatedBuildInputs = [ From 5f61ab39e014327d9a63948e7b688a2d75939ce8 Mon Sep 17 00:00:00 2001 From: natsukium Date: Mon, 22 May 2023 16:17:34 +0900 Subject: [PATCH 3/3] python3Packages.rdkit: add natsukium as maintainers --- pkgs/development/python-modules/rdkit/default.nix | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pkgs/development/python-modules/rdkit/default.nix b/pkgs/development/python-modules/rdkit/default.nix index ee5de87d3305..470cc1e22e8c 100644 --- a/pkgs/development/python-modules/rdkit/default.nix +++ b/pkgs/development/python-modules/rdkit/default.nix @@ -153,7 +153,7 @@ buildPythonPackage rec { meta = with lib; { description = "Open source toolkit for cheminformatics"; - maintainers = [ maintainers.rmcgibbo ]; + maintainers = with maintainers; [ rmcgibbo natsukium ]; license = licenses.bsd3; homepage = "https://www.rdkit.org"; };