1 files changed, 45 insertions, 0 deletions
diff --git a/infra/libkookie/nixpkgs/pkgs/development/libraries/libcint/default.nix b/infra/libkookie/nixpkgs/pkgs/development/libraries/libcint/default.nix
new file mode 100644
index 000000000000..8415b964bb99
--- /dev/null
+++ b/infra/libkookie/nixpkgs/pkgs/development/libraries/libcint/default.nix
@@ -0,0 +1,45 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, cmake
+, blas
+  # Check Inputs
+, python
+}:
+
+stdenv.mkDerivation rec {
+  pname = "libcint";
+  version = "4.0.6";
+
+  src = fetchFromGitHub {
+    owner = "sunqm";
+    repo = "libcint";
+    rev = "v${version}";
+    sha256 = "1bgzsyz1i0hvla5ax0lawp1kw25fkhzh9ddhq92mplizrj9y05c1";
+  };
+
+  nativeBuildInputs = [ cmake ];
+  buildInputs = [ blas ];
+  cmakeFlags = [
+    "-DENABLE_TEST=1"
+    "-DQUICK_TEST=1"
+    "-DCMAKE_INSTALL_PREFIX=" # ends up double-adding /nix/store/... prefix, this avoids issue
+  ];
+
+  doCheck = true;
+  checkInputs = [ python.pkgs.numpy ];
+
+  meta = with lib; {
+    description = "General GTO integrals for quantum chemistry";
+    longDescription = ''
+      libcint is an open source library for analytical Gaussian integrals.
+      It provides C/Fortran API to evaluate one-electron / two-electron
+      integrals for Cartesian / real-spheric / spinor Gaussian type functions.
+    '';
+    homepage = "http://wiki.sunqm.net/libcint";
+    downloadPage = "https://github.com/sunqm/libcint";
+    changelog = "https://github.com/sunqm/libcint/blob/master/ChangeLog";
+    license = licenses.bsd2;
+    maintainers = with maintainers; [ drewrisinger ];
+  };
+}