1 files changed, 47 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix
new file mode 100644
index 000000000000..a8c27b3eec56
--- /dev/null
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix
@@ -0,0 +1,47 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, gfortran
+, pkg-config
+, json-fortran
+, cmake
+}:
+
+stdenv.mkDerivation rec {
+  pname = "mctc-lib";
+  version = "0.3.1";
+
+  src = fetchFromGitHub {
+    owner = "grimme-lab";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-AXjg/ZsitdDf9fNoGVmVal1iZ4/sxjJb7A9W4yye/rg=";
+  };
+
+  nativeBuildInputs = [ gfortran pkg-config cmake ];
+
+  buildInputs = [ json-fortran ];
+
+  outputs = [ "out" "dev" ];
+
+  # Fix the Pkg-Config files for doubled store paths
+  postPatch = ''
+    substituteInPlace config/template.pc \
+      --replace "\''${prefix}/" ""
+  '';
+
+  cmakeFlags = [
+    "-DBUILD_SHARED_LIBS=${if stdenv.hostPlatform.isStatic then "OFF" else "ON"}"
+  ];
+
+  doCheck = true;
+
+  meta = with lib; {
+    description = "Modular computation tool chain library";
+    mainProgram = "mctc-convert";
+    homepage = "https://github.com/grimme-lab/mctc-lib";
+    license = licenses.asl20;
+    platforms = platforms.linux;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}