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{ lib, stdenv, fetchFromGitHub, cmake, zlib, eigen, libGL, doxygen, spglib
, mmtf-cpp, glew, python3, libarchive, libmsym, msgpack, qttools, wrapQtAppsHook
}:
let
pythonWP = python3.withPackages (p: with p; [ openbabel-bindings numpy ]);
# Pure data repositories
moleculesRepo = fetchFromGitHub {
owner = "OpenChemistry";
repo = "molecules";
rev = "1.0.0";
sha256 = "guY6osnpv7Oqt+HE1BpIqL10POp+x8GAci2kY0bLmqg=";
};
crystalsRepo = fetchFromGitHub {
owner = "OpenChemistry";
repo = "crystals";
rev = "1.0.1";
sha256 = "sH/WuvLaYu6akOc3ssAKhnxD8KNoDxuafDSozHqJZC4=";
};
in stdenv.mkDerivation rec {
pname = "avogadrolibs";
version = "1.95.1";
src = fetchFromGitHub {
owner = "OpenChemistry";
repo = pname;
rev = version;
sha256 = "0zzVg8xNqFwDrK8gRkDm3tRgBt7fD4K3Uy/ajUBc+eQ=";
};
postUnpack = ''
cp -r ${moleculesRepo} molecules
cp -r ${crystalsRepo} crystals
'';
nativeBuildInputs = [
cmake
wrapQtAppsHook
];
buildInputs = [
eigen
zlib
libGL
spglib
mmtf-cpp
glew
libarchive
libmsym
msgpack
qttools
];
postFixup = ''
substituteInPlace $out/lib/cmake/${pname}/AvogadroLibsConfig.cmake \
--replace "''${AvogadroLibs_INSTALL_PREFIX}/$out" "''${AvogadroLibs_INSTALL_PREFIX}"
'';
meta = with lib; {
description = "Molecule editor and visualizer";
maintainers = with maintainers; [ sheepforce ];
homepage = "https://github.com/OpenChemistry/avogadrolibs";
platforms = platforms.linux;
license = licenses.gpl2Only;
};
}
|