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{ lib, stdenv, fetchFromGitHub, cmake, perl, gfortran, python
, 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
python
];
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 ];
};
}
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