From aadf7a50d777726e9facd509e518d6d3e848fc93 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Sandro=20J=C3=A4ckel?= <sandro.jaeckel@gmail.com>
Date: Mon, 18 Jan 2021 00:21:05 +0100
Subject: [PATCH] openbabel2: init at 2.4.1

---
 pkgs/development/libraries/openbabel/2.nix | 31 ++++++++++++++++++++++
 pkgs/top-level/all-packages.nix            |  7 ++++-
 2 files changed, 37 insertions(+), 1 deletion(-)
 create mode 100644 pkgs/development/libraries/openbabel/2.nix

diff --git a/pkgs/development/libraries/openbabel/2.nix b/pkgs/development/libraries/openbabel/2.nix
new file mode 100644
index 000000000000..41631da12416
--- /dev/null
+++ b/pkgs/development/libraries/openbabel/2.nix
@@ -0,0 +1,31 @@
+{stdenv, lib, fetchurl, fetchpatch, cmake, zlib, libxml2, eigen, python, cairo, pcre, pkg-config }:
+
+stdenv.mkDerivation rec {
+  pname = "openbabel";
+  version = "2.4.1";
+
+  src = fetchurl {
+    url = "https://github.com/openbabel/openbabel/archive/openbabel-${stdenv.lib.replaceStrings ["."] ["-"] version}.tar.gz";
+    sha256 = "0xm7y859ivq2cp0q08mwshfxm0jq31xkyr4x8s0j6l7khf57yk2r";
+  };
+
+  patches = [
+    # ARM / AArch64 fixes.
+    (fetchpatch {
+      url = "https://github.com/openbabel/openbabel/commit/ee11c98a655296550710db1207b294f00e168216.patch";
+      sha256 = "0wjqjrkr4pfirzzicdvlyr591vppydk572ix28jd2sagnfnf566g";
+    })
+  ];
+
+  buildInputs = [ zlib libxml2 eigen python cairo pcre ];
+
+  nativeBuildInputs = [ cmake pkg-config ];
+
+  meta = with lib; {
+    description = "A toolbox designed to speak the many languages of chemical data";
+    homepage = "http://openbabel.org";
+    platforms = platforms.all;
+    maintainers = with maintainers; [ danielbarter ];
+    license = licenses.gpl2Plus;
+  };
+}
diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix
index 355df6b465fb..7a0cce2f68f3 100644
--- a/pkgs/top-level/all-packages.nix
+++ b/pkgs/top-level/all-packages.nix
@@ -15779,7 +15779,11 @@ in
   };
   openal = openalSoft;
 
-  openbabel = callPackage ../development/libraries/openbabel { };
+  openbabel = openbabel3;
+
+  openbabel2 = callPackage ../development/libraries/openbabel/2.nix { };
+
+  openbabel3 = callPackages ../development/libraries/openbabel { };
 
   opencascade = callPackage ../development/libraries/opencascade {
     inherit (darwin.apple_sdk.frameworks) OpenCL Cocoa;
@@ -27344,6 +27348,7 @@ in
   ### SCIENCE/CHEMISTY
 
   avogadro = callPackage ../applications/science/chemistry/avogadro {
+    openbabel = openbabel2;
     eigen = eigen2;
   };