libmbd: init at 0.12.7

pkgs/by-name/li/libmbd/package.nix

@@ -0,0 +1,45 @@
+{ stdenv
+, fetchFromGitHub
+, lib
+, cmake
+, mpi
+, blas
+, lapack
+, scalapack
+, gfortran
+} :
+
+assert !blas.isILP64;
+assert !lapack.isILP64;
+
+stdenv.mkDerivation rec {
+  pname = "libMBD";
+  version = "0.12.7";
+
+  src = fetchFromGitHub {
+    owner = "libmbd";
+    repo = pname;
+    rev = version;
+    hash = "sha256-39cvOUTAuuWLGOLdapR5trmCttCnijOWvPhSBTeTxTA=";
+  };
+
+  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 ];
+  };
+}