d5cceedbd1
Since aliases are disallowed in nixpkgs, this makes usage of Python 2 which is EOL more explicit.
44 lines
865 B
Nix
44 lines
865 B
Nix
{ lib, stdenv, fetchFromGitHub, cmake, perl, gfortran, python2
|
|
, boost, eigen, zlib
|
|
} :
|
|
|
|
stdenv.mkDerivation rec {
|
|
pname = "pcmsolver";
|
|
version = "1.3.0";
|
|
|
|
src = fetchFromGitHub {
|
|
owner = "PCMSolver";
|
|
repo = pname;
|
|
rev = "v${version}";
|
|
sha256= "0jrxr8z21hjy7ik999hna9rdqy221kbkl3qkb06xw7g80rc9x9yr";
|
|
};
|
|
|
|
nativeBuildInputs = [
|
|
cmake
|
|
gfortran
|
|
perl
|
|
python2
|
|
];
|
|
|
|
buildInputs = [
|
|
boost
|
|
eigen
|
|
zlib
|
|
];
|
|
|
|
cmakeFlags = [ "-DENABLE_OPENMP=ON" ];
|
|
|
|
hardeningDisable = [ "format" ];
|
|
|
|
# Requires files, that are not installed.
|
|
doCheck = false;
|
|
|
|
meta = with lib; {
|
|
description = "An API for the Polarizable Continuum Model";
|
|
homepage = "https://pcmsolver.readthedocs.io/en/stable/";
|
|
license = licenses.lgpl3Only;
|
|
platforms = platforms.linux;
|
|
maintainers = [ maintainers.sheepforce ];
|
|
};
|
|
}
|