rdkit_chem 2025.09.3.1 → 2025.09.3.2
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- checksums.yaml +4 -4
- data/Rakefile +40 -0
- data/lib/rdkit_chem/version.rb +1 -1
- metadata +1 -1
checksums.yaml
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@@ -1,7 +1,7 @@
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---
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SHA256:
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metadata.gz:
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data.tar.gz:
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metadata.gz: eb84e9eb9b23425a697da1935d2a58fde15b5b184f9b0f0605340577f9296f16
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data.tar.gz: 3ba3ea75e71cf6f86d82008d297a6409494a09e152b7049077245eb641626eaf
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SHA512:
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metadata.gz:
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data.tar.gz:
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metadata.gz: f2001ea207f0a2e4484595d27ce3fe5f74d2e0acbf3b58caf204169a09b928542fccabf544a424653175af1e272b73378eaac81db962b26b8ff1ece82219bd43
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data.tar.gz: 5c859291de10e2a2355068b3d57619d7e56e3c248c607b3df413d46f4e9fd29437bfc5cc1914fbb70e2daa319da2889b790b2a205c6087a2ebdaf1faffcb6cdd
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data/Rakefile
CHANGED
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@@ -10,6 +10,12 @@ require 'rdkit_chem/version'
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VERSION = RDKitChem::GEMVERSION
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NATIVE_DIR = 'rdkit_chem/lib'
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# System libraries that need to be bundled for portability
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BUNDLED_SYSTEM_LIBS = %w[
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libboost_serialization.so*
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libboost_iostreams.so*
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].freeze
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desc 'Run tests'
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Rake::TestTask.new(:test) do |t|
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t.libs << 'lib'
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@@ -69,6 +75,40 @@ task :build_native do
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puts "\nBuilt: rdkit_chem-#{VERSION}-#{Gem::Platform.local}.gem"
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end
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desc 'Bundle system libraries (Boost) into native directory'
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task :bundle_system_libs do
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so_file = File.join(NATIVE_DIR, 'RDKitChem.so')
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unless File.exist?(so_file)
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abort "ERROR: #{so_file} not found"
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end
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puts "Finding and bundling system library dependencies..."
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# Find library paths using ldd
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ldd_output = `ldd #{so_file} 2>/dev/null`
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BUNDLED_SYSTEM_LIBS.each do |lib_pattern|
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lib_name = lib_pattern.gsub('*', '')
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# Extract actual library path from ldd output
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match = ldd_output.match(/#{Regexp.escape(lib_name)}[^\s]* => ([^\s]+)/)
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if match
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src_path = match[1]
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if File.exist?(src_path)
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dest = File.join(NATIVE_DIR, File.basename(src_path))
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unless File.exist?(dest)
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FileUtils.cp(src_path, dest, verbose: true)
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else
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puts "Already exists: #{dest}"
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end
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end
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else
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puts "WARNING: Could not find #{lib_pattern} in ldd output"
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end
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end
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puts "Done bundling system libraries."
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end
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desc 'Apply RPATH fix to existing native extension (no recompile needed)'
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task :fix_rpath do
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so_file = File.join(NATIVE_DIR, 'RDKitChem.so')
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data/lib/rdkit_chem/version.rb
CHANGED