1 files changed, 26 insertions, 0 deletions
diff --git a/pkgs/development/libraries/science/chemistry/cppe/default.nix b/pkgs/development/libraries/science/chemistry/cppe/default.nix
new file mode 100644
index 00000000000..9781ce78066
--- /dev/null
+++ b/pkgs/development/libraries/science/chemistry/cppe/default.nix
@@ -0,0 +1,26 @@
+{ stdenv, lib, fetchFromGitHub, cmake, llvmPackages }:
+
+stdenv.mkDerivation rec {
+  pname = "cppe";
+  version = "0.3.1";
+
+  src = fetchFromGitHub {
+    owner = "maxscheurer";
+    repo = pname;
+    rev = "v${version}";
+    sha256 = "sha256-guM7+ZWDJLcAUJtPkKLvC4LYSA2eBvER7cgwPZ7FxHw=";
+  };
+
+  nativeBuildInputs = [ cmake ]
+    ++ lib.optionals stdenv.cc.isClang [ llvmPackages.openmp ];
+
+  cmakeFlags = [ "-DCMAKE_INSTALL_LIBDIR=lib" ];
+
+  meta = with lib; {
+    description = "C++ and Python library for Polarizable Embedding";
+    homepage = "https://github.com/maxscheurer/cppe";
+    license = licenses.lgpl3Only;
+    platforms = platforms.unix;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}