From 45edc9bbe859b7414dbed26720638fa8a0afca4d Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marcel=20M=C3=BCller?= Date: Thu, 21 Nov 2024 13:20:46 +0100 Subject: [PATCH] update version number, switch to cmake MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Signed-off-by: Marcel Müller --- Formula/crest.rb | 20 +++++++++----------- 1 file changed, 9 insertions(+), 11 deletions(-) diff --git a/Formula/crest.rb b/Formula/crest.rb index 7deb176..412c686 100644 --- a/Formula/crest.rb +++ b/Formula/crest.rb @@ -1,10 +1,9 @@ class Crest < Formula desc "Conformer-Rotamer Ensemble Sampling Tool" homepage "https://xtb-docs.readthedocs.io/en/latest/crest.html" - url "https://github.com/grimme-lab/crest/archive/refs/tags/v2.12.tar.gz" - sha256 "390f0ac0aedafbd6bb75974fcffefe7e0232ad6c4ea0ab4f1a77e656a3ce263d" + url "https://github.com/crest-lab/crest/archive/refs/tags/v3.0.2.tar.gz" + sha256 "f5d00d41c18a6f999ec8c890aa56d4b7ac8b1bf52a8c6d48c1d151c0126f7793" license "LGPL-3.0-or-later" - revision 1 bottle do root_url "https://github.com/grimme-lab/homebrew-qc/releases/download/crest-2.12_1" @@ -14,11 +13,13 @@ class Crest < Formula end depends_on "asciidoctor" => :build - depends_on "meson" => :build + depends_on "cmake" => :build depends_on "ninja" => :build depends_on "pkg-config" => :build depends_on "gcc" depends_on "openblas" + depends_on "tblite" + depends_on "test-drive" depends_on "xtb" fails_with gcc: "4" fails_with gcc: "5" @@ -28,13 +29,10 @@ class Crest < Formula def install ENV.fortran - meson_args = std_meson_args - meson_args << "-Dla_backend=openblas" - meson_args << "-Dfortran_args=-ffree-line-length-none" - meson_args << "-Dfortran_link_args=-Wl,-stack_size,0x1000000" if OS.mac? - system "meson", "setup", "_build", *meson_args - system "meson", "compile", "-C", "_build" - system "meson", "install", "-C", "_build", "--no-rebuild" + system "cmake", "-B", "_build", "-GNinja", *std_cmake_args + system "ninja", "-C", "_build" + system "ctest", "-C", "_build", "--output-on-failure", "--parallel", "1", "-R", "'^crest/'" + system "ninja", "-C", "_build", "install" end test do