From 36fbaa0de4ba40984daae894f1ab3ce5d8c9f76e Mon Sep 17 00:00:00 2001
From: Phillip Seeber <phillip.seeber@uni-jena.de>
Date: Wed, 29 Nov 2023 10:41:57 +0100
Subject: [PATCH] libmbd: init at 0.12.7

---
 pkgs/by-name/li/libmbd/package.nix | 45 ++++++++++++++++++++++++++++++
 1 file changed, 45 insertions(+)
 create mode 100644 pkgs/by-name/li/libmbd/package.nix

diff --git a/pkgs/by-name/li/libmbd/package.nix b/pkgs/by-name/li/libmbd/package.nix
new file mode 100644
index 000000000000..e50641f6b8fd
--- /dev/null
+++ b/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 ];
+  };
+}