46 lines
842 B
Nix
46 lines
842 B
Nix
{ stdenv
|
|
, fetchFromGitHub
|
|
, lib
|
|
, cmake
|
|
, mpi
|
|
, blas
|
|
, lapack
|
|
, scalapack
|
|
, gfortran
|
|
} :
|
|
|
|
assert !blas.isILP64;
|
|
assert !lapack.isILP64;
|
|
|
|
stdenv.mkDerivation rec {
|
|
pname = "libMBD";
|
|
version = "0.12.8";
|
|
|
|
src = fetchFromGitHub {
|
|
owner = "libmbd";
|
|
repo = pname;
|
|
rev = version;
|
|
hash = "sha256-ctUaBLPaZHoV1rU3u1idvPLGbvC9Z17YBxYKCaL7EMk=";
|
|
};
|
|
|
|
preConfigure = ''
|
|
cat > cmake/libMBDVersionTag.cmake << EOF
|
|
set(VERSION_TAG "${version}")
|
|
EOF
|
|
'';
|
|
|
|
nativeBuildInputs = [ cmake gfortran ];
|
|
|
|
buildInputs = [ blas lapack scalapack ];
|
|
|
|
propagatedBuildInputs = [ mpi ];
|
|
|
|
meta = with lib; {
|
|
description = "Many-body dispersion library";
|
|
homepage = "https://github.com/libmbd/libmbd";
|
|
license = licenses.mpl20;
|
|
platforms = platforms.linux;
|
|
maintainers = [ maintainers.sheepforce ];
|
|
};
|
|
}
|