diff options
| -rw-r--r-- | pkgs/development/libraries/openbabel/2.nix | 31 | ||||
| -rw-r--r-- | pkgs/top-level/all-packages.nix | 7 |
2 files changed, 37 insertions, 1 deletions
diff --git a/pkgs/development/libraries/openbabel/2.nix b/pkgs/development/libraries/openbabel/2.nix new file mode 100644 index 0000000000000..41631da124169 --- /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 355df6b465fb4..7a0cce2f68f3a 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; }; |