diff options
author | Daniel Barter <danielbarter@gmail.com> | 2020-12-28 12:01:20 -0800 |
---|---|---|
committer | Sandro Jäckel <sandro.jaeckel@gmail.com> | 2021-01-18 00:21:48 +0100 |
commit | a8bb8fcab27461ca6d388caaf389fbca8a609390 (patch) | |
tree | b33b8f0ad70234ce3f27c7ca2204fe5b1e09f51c /pkgs/development/libraries/openbabel | |
parent | 30b46643934471cbe0ebf47e430193eba95cf4bb (diff) |
openbabel: 2.4 -> 3.1.1
Diffstat (limited to 'pkgs/development/libraries/openbabel')
-rw-r--r-- | pkgs/development/libraries/openbabel/default.nix | 47 |
1 files changed, 29 insertions, 18 deletions
diff --git a/pkgs/development/libraries/openbabel/default.nix b/pkgs/development/libraries/openbabel/default.nix index d074db7d165c9..301025dfd20bb 100644 --- a/pkgs/development/libraries/openbabel/default.nix +++ b/pkgs/development/libraries/openbabel/default.nix @@ -1,34 +1,45 @@ -{stdenv, fetchurl, fetchpatch, cmake, zlib, libxml2, eigen, python, cairo, pcre, pkgconfig }: +{stdenv, lib, fetchurl, cmake, zlib, libxml2, eigen, python, cairo, pcre, pkg-config, swig, rapidjson }: stdenv.mkDerivation rec { pname = "openbabel"; - version = "2.4.1"; + version = "3.1.1"; src = fetchurl { url = "https://github.com/openbabel/openbabel/archive/openbabel-${stdenv.lib.replaceStrings ["."] ["-"] version}.tar.gz"; - sha256 = "0xm7y859ivq2cp0q08mwshfxm0jq31xkyr4x8s0j6l7khf57yk2r"; + sha256 = "c97023ac6300d26176c97d4ef39957f06e68848d64f1a04b0b284ccff2744f02"; }; - patches = [ - # ARM / AArch64 fixes. - (fetchpatch { - url = "https://github.com/openbabel/openbabel/commit/ee11c98a655296550710db1207b294f00e168216.patch"; - sha256 = "0wjqjrkr4pfirzzicdvlyr591vppydk572ix28jd2sagnfnf566g"; - }) + + buildInputs = [ zlib libxml2 eigen python cairo pcre swig rapidjson ]; + + nativeBuildInputs = [ cmake pkg-config ]; + + pythonMajorMinor = "${python.sourceVersion.major}.${python.sourceVersion.minor}"; + + cmakeFlags = [ + "-DRUN_SWIG=ON" + "-DPYTHON_BINDINGS=ON" ]; - # TODO : perl & python bindings; - # TODO : wxGTK: I have no time to compile - # TODO : separate lib and apps - buildInputs = [ zlib libxml2 eigen python cairo pcre ]; - nativeBuildInputs = [ cmake pkgconfig ]; + postFixup = '' + cat <<EOF > $out/lib/python$pythonMajorMinor/site-packages/setup.py + from distutils.core import setup + + setup( + name = 'pyopenbabel', + version = '${version}', + packages = ['openbabel'], + package_data = {'openbabel' : ['_openbabel.so']} + ) + EOF + ''; - meta = { + meta = with lib; { description = "A toolbox designed to speak the many languages of chemical data"; homepage = "http://openbabel.org"; - platforms = stdenv.lib.platforms.all; - maintainers = [ ]; - license = stdenv.lib.licenses.gpl2Plus; + platforms = platforms.all; + license = licenses.gpl2Plus; + maintainers = with maintainers; [ danielbarter ]; }; } |