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relion 5.0.0 #1967

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Dec 27, 2024
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relion 5.0.0 #1967

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17 changes: 7 additions & 10 deletions Formula/relion.rb
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Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
class Relion < Formula

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GitHub Actions / build-bottles (ubuntu-latest)

`brew linkage --cached --test --strict brewsci/bio/relion` failed on Linux! 

  libxext
desc "Image-processing software for cryo-electron microscopy"
homepage "https://github.com/3dem/relion"
url "https://github.com/3dem/relion/archive/refs/tags/4.0.2.tar.gz"
sha256 "7ccc941a6a885bd850efa8867ea908254d8dc260cf72cc24c375bb9f1d56bf91"
url "https://github.com/3dem/relion/archive/refs/tags/5.0.0.tar.gz"
sha256 "5d02d529bfdb396204310b35963f35e5ec40ed9fd10bc88c901119ae7d7739fc"
license "GPL-2.0-only"
head "https://github.com/3dem/relion.git", branch: "master"

Expand All @@ -25,6 +25,8 @@
depends_on "libxft"
depends_on "open-mpi"
depends_on "pbzip2"
depends_on "[email protected]"
depends_on "pytorch"
depends_on "xz"
depends_on "zstd"

Expand All @@ -35,6 +37,9 @@
def install
args = []
args << "-DFETCH_TORCH_MODELS=OFF"
args << "-DCUDA=OFF"
args << "-DPYTHON_EXE_PATH=#{Formula["[email protected]"].opt_bin}/python3"
args << "-DTORCH_HOME_PATH=#{Formula["pytorch"].opt_prefix}"
if OS.mac?
libomp = Formula["libomp"]
args << "-DOpenMP_C_FLAGS=-Xpreprocessor -fopenmp -I#{libomp.opt_include}"
Expand All @@ -43,17 +48,9 @@
args << "-DOpenMP_CXX_LIB_NAMES=omp"
args << "-DOpenMP_omp_LIBRARY=#{libomp.opt_lib}/libomp.a"
end

system "cmake", "-S", ".", "-B", "build", *args, *std_cmake_args
system "cmake", "--build", "build"
system "cmake", "--install", "build"

# Add Python shebang
pyfile = bin/"relion_class_ranker.py"
pylines = pyfile.read.lines
pylines.unshift "#!/usr/bin/env python3\n"
pyfile.atomic_write pylines.join
chmod 0755, pyfile
end

test do
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