libint 2.13.1

Formula/c/cp2k.rb

@@ -4,19 +4,20 @@ class Cp2k < Formula
   url "https://github.com/cp2k/cp2k/releases/download/v2026.1/cp2k-2026.1.tar.bz2"
   sha256 "4364c74bcffaa474bc234e11686b09550e4d06932acf2147a341e4f7679dd88e"
   license "GPL-2.0-or-later"
+  revision 1
 
   livecheck do
     url :stable
     strategy :github_latest
   end
 
   bottle do
-    sha256 arm64_tahoe:   "e70af7e7a56909fedd28848c17b44ce00c29f34c12c0fbb723be10723ee82674"
-    sha256 arm64_sequoia: "f018ca0d07f46bda2f513bc82667d52244cbab4f1cacf6f1fcdc35afd56075ea"
-    sha256 arm64_sonoma:  "5bb30a10df127ddec8771b2617f714916179eb2c3d20d61ed90b5be84728e998"
-    sha256 sonoma:        "ef7f7871b366cefad40871dd9673af9fd3c17097a081328b9043e422ad410714"
-    sha256 arm64_linux:   "e23fe5a58d5dc1d27d7ebc8984a32113ac7eb57c725b34cfab058d828e35d0cb"
-    sha256 x86_64_linux:  "74b6992544967c31921136c39dc228201b92d46b32439617085cd263d0bb52b4"
+    sha256 arm64_tahoe:   "07bc22355e467c9d4e8b65013e9d370b01d099fd011e3758b1371ce1acf9b5a0"
+    sha256 arm64_sequoia: "76fb2d301939f06439dac5c3041d616e540facd946336d719aadbd0fb5d3c4d6"
+    sha256 arm64_sonoma:  "1abf089ae43d3df9b99fccb910c35d608d7afa3d84dd95ce65e2aff6da503a14"
+    sha256 sonoma:        "6bff1f36dd36d4a4da5d87625a4869e558d005388268638bb13065f3e58aa9fe"
+    sha256 arm64_linux:   "2df56fdcdadda4a0f684872a13095d462fa64a9436c0358e2036b318562ed715"
+    sha256 x86_64_linux:  "933366a7dfaa3353854c2e803c25bd9c8272a0fcd979e28c34abd230dab052a1"
   end
 
   depends_on "cmake" => :build

Formula/lib/libint.rb

@@ -1,27 +1,25 @@
 class Libint < Formula
   desc "Library for computing electron repulsion integrals efficiently"
   homepage "https://github.com/evaleev/libint"
-  url "https://github.com/evaleev/libint/archive/refs/tags/v2.12.0.tar.gz"
-  sha256 "732988a1ea95eb4eae91bcb2b2a718d95dc5caca41533746fc4111532d55ae74"
-  license all_of: ["GPL-3.0-or-later", "LGPL-3.0-or-later"]
-  revision 1
+  url "https://github.com/evaleev/libint/archive/refs/tags/v2.13.1.tar.gz"
+  sha256 "9651705c79f77418ef0230aafc0cf1b71b17c1c89e413ee0e5ee7818650ce978"
+  # The generator is GPLv3 but it doesn't impact the license of packaged library
+  license "LGPL-3.0-only"
+  compatibility_version 1
 
   bottle do
-    sha256 cellar: :any,                 arm64_tahoe:   "021285dd3c9f6f83647c2561fb5d51eed76f7093483fe23fb8541cb463f81b85"
-    sha256 cellar: :any,                 arm64_sequoia: "95ec5448bcc73ce713eeaf1fce1cc59ccb9bc21421cca17e33a53378cb3a14e2"
-    sha256 cellar: :any,                 arm64_sonoma:  "d311e23cd5cdeb601aaa98f8fd1c023bf8edfd95b7073814c4a7e0725599f850"
-    sha256 cellar: :any,                 sonoma:        "a90f91cd6b70acdcacf6c72eefeadf8a7973dd85f27af1ea3fcfd02b2a409f99"
-    sha256 cellar: :any_skip_relocation, arm64_linux:   "b7c85675c38ecae95182d1f75922ba5a8f8cd729fe6ef441b232e7d9f0d959ca"
-    sha256 cellar: :any_skip_relocation, x86_64_linux:  "924eb316cb90dd18ced1e1d52f2ddeefe8e6a13300d866450b966be540f72a7f"
+    sha256 cellar: :any,                 arm64_tahoe:   "4b03a7d26170b597d8420de0020de22fca8622a1a5990f6139b11df4727722df"
+    sha256 cellar: :any,                 arm64_sequoia: "a46b2a128693e96482d182bd7ba1a28c146e5aaa591c264fca7bcdd0b8c7ae79"
+    sha256 cellar: :any,                 arm64_sonoma:  "69d323511bf9d7556ed922c1b623a7777dc7bdebecd77fb4d85cae61af2e0e17"
+    sha256 cellar: :any,                 sonoma:        "8f26efba8c16c3e353832d6b9a070cf68a005a853fe473feacad779aaf5f65a7"
+    sha256 cellar: :any_skip_relocation, arm64_linux:   "963b6d12f7047ea666a2b5f18f021bde6578bdcebc25f5007a49137b157d023e"
+    sha256 cellar: :any_skip_relocation, x86_64_linux:  "34def8f50947bcdf2d36667e9bbb9bed785d9b52f62a7ebfef7020dd02f52b5b"
   end
 
-  depends_on "autoconf" => :build
-  depends_on "automake" => :build
   depends_on "cmake" => :build
   depends_on "gcc" => :build # for gfortran
   depends_on "gmp" => :build
-  depends_on "libtool" => :build
-  depends_on "pkgconf" => [:build, :test]
+  depends_on "pkgconf" => :build
 
   depends_on "boost" => :no_linkage
   depends_on "eigen" => :no_linkage
@@ -30,34 +28,24 @@ class Libint < Formula
 
   def install
     args = %w[
-      --enable-shared
-      --disable-static
-      --enable-eri=1
-      --enable-eri2=1
-      --enable-eri3=1
+      -DBUILD_SHARED_LIBS=ON
+      -DLIBINT2_ENABLE_ERI=1
+      -DLIBINT2_ENABLE_ERI2=1
+      -DLIBINT2_ENABLE_ERI3=1
+      -DLIBINT2_ENABLE_FORTRAN=ON
     ]
-    system "glibtoolize", "--install", "--force"
-    system "./autogen.sh"
-    system "./configure", *args, *std_configure_args
-    system "make", "export"
-
-    # https://github.com/evaleev/libint/wiki#compiling-libint-library
-    system "tar", "-xf", "libint-#{version}.tgz"
-    system "cmake", "-S", "libint-#{version}", "-B", "build",
-                    "-DBUILD_SHARED_LIBS=ON",
-                    "-DLIBINT2_ENABLE_FORTRAN=ON",
-                    *std_cmake_args
+
+    system "cmake", "-S", ".", "-B", "build", *args, *std_cmake_args
     system "cmake", "--build", "build"
     system "cmake", "--install", "build"
 
-    pkgshare.install "tests/hartree-fock/hartree-fock.cc"
-    pkgshare.install "tests/hartree-fock/h2o.xyz"
+    pkgshare.install "export/tests/hartree-fock/hartree-fock.cc"
+    pkgshare.install "export/tests/hartree-fock/h2o.xyz"
   end
 
   test do
     system ENV.cxx, "-std=c++14", pkgshare/"hartree-fock.cc", "-o", "hartree-fock",
-                    "-I#{Formula["eigen"].opt_include}/eigen3",
-                    *shell_output("pkgconf --cflags --libs libint2").chomp.split
+                    "-I#{Formula["eigen"].opt_include}/eigen3", "-L#{lib}", "-lint2"
     system "./hartree-fock", pkgshare/"h2o.xyz"
   end
 end

Formula/v/votca.rb

@@ -4,16 +4,15 @@ class Votca < Formula
   url "https://github.com/votca/votca/archive/refs/tags/v2025.1.tar.gz"
   sha256 "85b487d2b2a31f26869be422c98f816b95c88a4ab112ea4650cccd4c2706bdbf"
   license "Apache-2.0"
-  revision 3
+  revision 4
 
   bottle do
-    rebuild 1
-    sha256 cellar: :any,                 arm64_tahoe:   "ebedfd7a8f4a4a958f45c48b33f78d03e6689f90b0a5d1ab604adf7cece29ac1"
-    sha256 cellar: :any,                 arm64_sequoia: "4a1ccb8ae3de07ee243281f08d476a76aeff2ba65c2d4eaa1efd3576c4214d91"
-    sha256 cellar: :any,                 arm64_sonoma:  "2a18f6145466daa3bed03fc6bfdec3b0930612342708cb14c3d1701681033dc9"
-    sha256 cellar: :any,                 sonoma:        "caec123f9f6ddad1fcbdfacfcbf5d7d284d61f0c7f52f727c51b626c6d93021b"
-    sha256 cellar: :any_skip_relocation, arm64_linux:   "6cf0d5b39648c54d4f6aca3f671d56d4f58e2f4a6ec62db9ad28ae6983c40b71"
-    sha256 cellar: :any_skip_relocation, x86_64_linux:  "f75816e6fe38c61a7b2647e1dcb40f856b39f92c12b0be29e33f20c7b0031fe2"
+    sha256 cellar: :any,                 arm64_tahoe:   "8ea2eec9085cfb8e8f8c964828081125904a2c2307ae570859446d8e371a0cd1"
+    sha256 cellar: :any,                 arm64_sequoia: "27c12a0e8e59974e9767d725ea90d55d3581d59361c2122396accee241bc58ec"
+    sha256 cellar: :any,                 arm64_sonoma:  "db7b0c744bb4e9f31b29060bd1329b7da560b5e05e2d49fbc4975840634031ac"
+    sha256 cellar: :any,                 sonoma:        "87c727bb540e8db157ecd161bd32b8d5770a12c9d847ef196021ebe14c921d3f"
+    sha256 cellar: :any_skip_relocation, arm64_linux:   "95f1fd91d2adac48f6d14ad03b818de5b73a76b5b7b0e63738c6575b5519a7a1"
+    sha256 cellar: :any_skip_relocation, x86_64_linux:  "db9c23d28cb952eb02b554b5d59ceb3c8a0c3abdd6ca536d8293684ee48f1f5e"
   end
 
   depends_on "cmake" => :build