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update version number, switch to cmake
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Signed-off-by: Marcel Müller <[email protected]>
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@marcelmbn
marcelmbn committed Nov 21, 2024
1 parent acb347f commit 499ea81
Showing 1 changed file with 8 additions and 11 deletions.
19 changes: 8 additions & 11 deletions Formula/crest.rb
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Original file line number Diff line number Diff line change
@@ -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"
Expand All @@ -14,11 +13,12 @@ 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 "xtb"
fails_with gcc: "4"
fails_with gcc: "5"
Expand All @@ -28,13 +28,10 @@ class Crest < Formula

def install

Check failure on line 29 in Formula/crest.rb

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GitHub Actions / test-bot (ubuntu-22.04)

`brew install --verbose --formula --build-bottle grimme-lab/qc/crest` failed on Linux! 

     /home/runner/work/homebrew-qc/homebrew-qc/logs/crest/_build
::error::grimme-lab/qc/crest 3.0.2 did not build
If reporting this issue please do so at (not Homebrew/brew or Homebrew/homebrew-core):
  https://github.com/grimme-lab/homebrew-qc/issues

::warning::Unable to query GitHub for recent issues on the tap%0AGitHub API Error: You have exceeded a secondary rate limit. Please wait a few minutes before you try again. If you reach out to GitHub Support for help, please include the request ID 7C00:1EC650:E82DD:1C9AED:673F21F6.%0AHOMEBREW_GITHUB_API_TOKEN may be invalid or expired; check:%0A  https://github.com/settings/tokens%0A
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
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