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update version number, checksum, and link
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Signed-off-by: Marcel Müller <[email protected]>
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marcelmbn committed Nov 21, 2024
1 parent 7455568 commit d6479ce
Showing 1 changed file with 5 additions and 5 deletions.
10 changes: 5 additions & 5 deletions Formula/crest.rb
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 @@ -19,6 +18,7 @@ class Crest < Formula
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 @@ -30,8 +30,8 @@ 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?
# 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"
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