1 files changed, 36 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/mstore/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/mstore/default.nix
new file mode 100644
index 000000000000..86e03df16b0e
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/mstore/default.nix
@@ -0,0 +1,36 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, cmake
+, gfortran
+, mctc-lib
+}:
+
+stdenv.mkDerivation rec {
+  pname = "mstore";
+  version = "0.2.0";
+
+  src = fetchFromGitHub {
+    owner = "grimme-lab";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-dN2BulLS/ENRFVdJIrZRxgBV8S4d5+7BjTCGnhBbf4I=";
+  };
+
+  nativeBuildInputs = [ cmake gfortran ];
+
+  buildInputs = [ mctc-lib ];
+
+  postInstall = ''
+    substituteInPlace $out/lib/pkgconfig/${pname}.pc \
+      --replace "''${prefix}/" ""
+  '';
+
+  meta = with lib; {
+    description = "Molecular structure store for testing";
+    license = licenses.asl20;
+    homepage = "https://github.com/grimme-lab/mstore";
+    platforms = platforms.linux;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}