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openbabel2: init at 2.4.1

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This commit is contained in:
Sandro Jäckel 2021-01-18 00:21:05 +01:00
parent a8bb8fcab2
commit aadf7a50d7
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GPG Key ID: 3AF5A43A3EECC2E5
2 changed files with 37 additions and 1 deletions
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31
pkgs/development/libraries/openbabel/2.nix Normal file
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@ -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;
};
}

7
pkgs/top-level/all-packages.nix
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@ -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;
};