rdkit_chem 2025.09.3.12-arm64-darwin-23

data/README.md

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+
+# rdkit-chem gem
+
+GEM for [RDKIT](http://rdkit.org/), an Open-Source Cheminformatics Software
+
+## Environment
+
+### Prerequisites
+  * cmake 3.8 or later
+  * curl
+  * tar, sed, make (those should be present anyway)
+  * SWIG 2 or later
+  * python header (`python-dev`)
+  * sqlite (`sqlite3-dev`)
+  * boost > 1.58 (`libboost-all-dev`)
+  * gcc
+  
+
+## Install
+`gem install rdkit_chem`
+
+It downloads the sources, compiles and installs RDKIT with the ruby bindings.
+The installation may last very long - please be patient.
+
+## macOS Build Notes
+
+### Known Issues and Solutions
+
+#### 1. Boost Serialization Not Found
+
+**Error:**
+```
+CMake Error: Found package configuration file boost_serialization-config.cmake
+but it set boost_serialization_FOUND to FALSE
+Reason: No suitable build variant has been found.
+```
+
+**Solution:** The gem has been updated to use static Boost flags (`-DBoost_USE_STATIC_LIBS=ON -DBoost_USE_STATIC_RUNTIME=ON`).
+
+#### 2. Ruby Symbol Linking Error
+
+**Error:**
+```
+Undefined symbols for architecture x86_64:
+  "_rb_define_class", "_rb_str_new", ... (Ruby C API symbols)
+```
+
+**Solution:** Fixed in `Code/RubyWrappers/gmwrapper/CMakeLists.txt` with `-undefined dynamic_lookup` for macOS.
+
+#### 3. Ruby 3.2+ Compatibility (CRITICAL)
+
+**Error:**
+```ruby
+require 'RDKitChem'
+# => TypeError: wrong argument type nil (expected Data)
+```
+
+**Cause:** Ruby 3.2+ introduced a new `Data` class that conflicts with SWIG's wrapper generation.
+
+**Workaround:** Use Ruby 3.1.x:
+```bash
+# Using asdf
+asdf install ruby 3.1.6
+asdf set ruby 3.1.6
+
+# Using rbenv
+rbenv install 3.1.6
+rbenv local 3.1.6
+```
+
+#### 4. GitHub Actions CI - Xcode SDK Header Conflict
+
+**Error:**
+```
+error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
+error: no member named 'finite' in namespace 'std::__math'
+```
+
+**Cause:** CMake finds Xcode SDK Ruby headers instead of `ruby/setup-ruby` installed headers.
+
+**Solution:** Fixed in `extconf.rb` by explicitly passing Ruby paths to CMake.
+
+### Ruby Version Compatibility
+
+| Ruby Version | Build | Runtime | Notes |
+|--------------|-------|---------|-------|
+| 3.4.x | OK | FAIL | `Data` class conflict |
+| 3.3.x | OK | FAIL | `Data` class conflict |
+| 3.2.x | OK | FAIL | `Data` class conflict |
+| 3.1.x | OK | OK | Recommended |
+
+### Build Commands (macOS)
+
+**Full Clean Build:**
+```bash
+rm -rf rdkit/build rdkit_chem
+ruby ext/rdkit_chem/extconf.rb
+```
+
+**Resume Interrupted Build:**
+```bash
+cd rdkit/build
+make -j8
+make install
+```
+
+**Test Loading:**
+```bash
+DYLD_LIBRARY_PATH=$PWD/rdkit_chem/lib ruby -I $PWD/rdkit_chem/lib -e 'require "RDKitChem"; puts "Success!"'
+```
+
+### Additional Notes
+
+- Full build takes ~20 minutes
+- Some `BOOST_NO_CXX98_FUNCTION_BASE` warnings during build are harmless
+- For detailed troubleshooting, see [MACOS_BUILD_NOTES.md](MACOS_BUILD_NOTES.md)

data/Rakefile

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+# frozen_string_literal: true
+
+require 'rake/testtask'
+require 'fileutils'
+require 'set'
+
+# Load version
+$LOAD_PATH.unshift File.expand_path('lib', __dir__)
+require 'rdkit_chem/version'
+
+VERSION = RDKitChem::GEMVERSION
+NATIVE_DIR = 'rdkit_chem/lib'
+
+# System libraries that need to be bundled for portability
+BUNDLED_SYSTEM_LIBS = %w[
+  libboost_serialization.so*
+  libboost_iostreams.so*
+].freeze
+
+desc 'Run tests'
+Rake::TestTask.new(:test) do |t|
+  t.libs << 'lib'
+  t.libs << 'test'
+  t.pattern = 'test/**/*_test.rb,test/**/test_*.rb'
+  t.verbose = true
+end
+
+desc 'Build source gem (requires compilation on install)'
+task :build do
+  sh 'gem build rdkit_chem.gemspec'
+end
+
+desc 'Build pre-compiled gem for current platform'
+task :build_native do
+  ext_so = File.join(NATIVE_DIR, 'RDKitChem.so')
+  ext_bundle = File.join(NATIVE_DIR, 'RDKitChem.bundle')
+
+  unless File.exist?(ext_so) || File.exist?(ext_bundle)
+    abort "ERROR: Native extension not found at #{NATIVE_DIR}/RDKitChem.{so,bundle}\n" \
+          "Run 'cd ext/rdkit_chem && ruby extconf.rb' first to compile."
+  end
+
+  # Get Ruby version for directory structure
+  ruby_version = "#{RUBY_VERSION.split('.')[0..1].join('.')}.0"
+  target_dir = "lib/rdkit_chem/#{ruby_version}"
+
+  puts "Packaging pre-compiled gem for Ruby #{ruby_version}..."
+
+  # Create target directory
+  FileUtils.mkdir_p(target_dir)
+
+  # Copy native extension and all shared libraries
+  # Linux: *.so*, macOS: *.bundle and *.dylib
+  lib_patterns = ["#{NATIVE_DIR}/*.so*", "#{NATIVE_DIR}/*.bundle", "#{NATIVE_DIR}/*.dylib"]
+  
+  lib_patterns.each do |pattern|
+    Dir.glob(pattern).each do |lib|
+      # Skip symlinks first pass, copy only real files
+      next if File.symlink?(lib)
+      dest = File.join(target_dir, File.basename(lib))
+      FileUtils.cp(lib, dest, verbose: true)
+    end
+  end
+
+  # Also copy symlinks (they're needed for library resolution)
+  # This includes both .so -> .so.1 and .so.1 -> .so.1.version symlinks
+  lib_patterns.each do |pattern|
+    Dir.glob(pattern).each do |lib|
+      next unless File.symlink?(lib)
+      link_target = File.readlink(lib)
+      dest = File.join(target_dir, File.basename(lib))
+      FileUtils.rm_f(dest)
+      FileUtils.ln_s(link_target, dest, verbose: true)
+    end
+  end
+
+  # Build the platform-specific gem
+  ENV['RDKIT_PRECOMPILED'] = '1'
+  sh 'gem build rdkit_chem.gemspec'
+  ENV.delete('RDKIT_PRECOMPILED')
+
+  # Clean up
+  FileUtils.rm_rf(target_dir)
+
+  puts "\nBuilt: rdkit_chem-#{VERSION}-#{Gem::Platform.local}.gem"
+end
+
+desc 'Bundle system libraries (Boost) into native directory'
+task :bundle_system_libs do
+  so_file = File.join(NATIVE_DIR, 'RDKitChem.so')
+  unless File.exist?(so_file)
+    abort "ERROR: #{so_file} not found"
+  end
+
+  puts "Finding and bundling system library dependencies..."
+
+  # Find library paths using ldd
+  ldd_output = `ldd #{so_file} 2>/dev/null`
+
+  BUNDLED_SYSTEM_LIBS.each do |lib_pattern|
+    lib_name = lib_pattern.gsub('*', '')
+    # Extract actual library path from ldd output
+    match = ldd_output.match(/#{Regexp.escape(lib_name)}[^\s]* => ([^\s]+)/)
+    if match
+      src_path = match[1]
+      if File.exist?(src_path)
+        dest = File.join(NATIVE_DIR, File.basename(src_path))
+        unless File.exist?(dest)
+          FileUtils.cp(src_path, dest, verbose: true)
+        else
+          puts "Already exists: #{dest}"
+        end
+      end
+    else
+      puts "WARNING: Could not find #{lib_pattern} in ldd output"
+    end
+  end
+
+  puts "Done bundling system libraries."
+end
+
+desc 'Apply RPATH fix to existing native extension (no recompile needed)'
+task :fix_rpath do
+  so_file = File.join(NATIVE_DIR, 'RDKitChem.so')
+  unless File.exist?(so_file)
+    abort "ERROR: #{so_file} not found"
+  end
+
+  # Check if patchelf is available
+  unless system('which patchelf > /dev/null 2>&1')
+    abort "ERROR: patchelf not installed. Run: sudo apt install patchelf"
+  end
+
+  # Fix RPATH on all shared libraries (including versioned ones like *.so.1.2026.03.1pre)
+  puts "Setting RPATH to $ORIGIN on all shared libraries..."
+  count = 0
+  Dir.glob("#{NATIVE_DIR}/*.so*").each do |lib|
+    next if File.symlink?(lib)  # Skip symlinks
+    next if lib.end_with?('.a') # Skip static libraries
+    system("patchelf --set-rpath '$ORIGIN' '#{lib}' 2>/dev/null")
+    count += 1
+  end
+  puts "Fixed RPATH on #{count} libraries"
+
+  # Verify main extension
+  puts "\nVerifying RPATH on #{so_file}:"
+  sh "readelf -d #{so_file} | grep -E '(RPATH|RUNPATH)' || echo 'No RPATH found'"
+end
+
+desc 'Repair: bundle system libraries and fix RPATH'
+task :repair do
+  Rake::Task['bundle_system_libs'].invoke
+  Rake::Task['fix_rpath'].invoke
+end
+
+MACOS_SYSTEM_LIBRARY_PREFIXES = ['/usr/lib/', '/System/'].freeze
+MACOS_DEFAULT_SEARCH_PATHS = ['/opt/homebrew/lib', '/usr/local/lib'].freeze
+
+def macos_shared_libraries(libs_dir)
+  Dir.glob("#{libs_dir}/*.dylib") + Dir.glob("#{libs_dir}/*.bundle")
+end
+
+def macos_dependencies(lib)
+  otool_output = `otool -L '#{lib}' 2>/dev/null`
+  otool_output.lines.drop(1).map { |line| line.strip.split(' ').first }.compact
+end
+
+def macos_system_library?(path)
+  MACOS_SYSTEM_LIBRARY_PREFIXES.any? { |prefix| path.start_with?(prefix) }
+end
+
+def macos_resolve_dependency(dep, libs_dir)
+  return dep if dep.start_with?('/') && File.exist?(dep)
+
+  basename = File.basename(dep)
+  candidates = [File.join(libs_dir, basename)] +
+               MACOS_DEFAULT_SEARCH_PATHS.map { |dir| File.join(dir, basename) }
+  candidates.find { |path| File.exist?(path) }
+end
+
+desc 'Repair for macOS (bundle deps and fix install names)'
+task :repair_macos do
+  libs_dir = File.expand_path(NATIVE_DIR)
+  libs = macos_shared_libraries(libs_dir)
+  abort "ERROR: no macOS libraries found in #{libs_dir}" if libs.empty?
+
+  queue = libs.dup
+  processed = Set.new
+  copied = 0
+
+  until queue.empty?
+    lib = queue.shift
+    next if processed.include?(lib)
+    processed.add(lib)
+
+    macos_dependencies(lib).each do |dep|
+      next if macos_system_library?(dep)
+
+      dep_path = macos_resolve_dependency(dep, libs_dir)
+      next if dep_path.nil?
+
+      dest = File.join(libs_dir, File.basename(dep_path))
+      unless File.exist?(dest)
+        FileUtils.cp(dep_path, dest, verbose: true)
+        copied += 1
+      end
+      queue << dest if File.exist?(dest)
+    end
+  end
+
+  macos_shared_libraries(libs_dir).each do |lib|
+    lib_name = File.basename(lib)
+    system("install_name_tool -id @loader_path/#{lib_name} '#{lib}' 2>/dev/null") if lib.end_with?('.dylib')
+
+    macos_dependencies(lib).each do |dep|
+      next if macos_system_library?(dep)
+
+      dep_basename = File.basename(dep)
+      system("install_name_tool -change '#{dep}' '@loader_path/#{dep_basename}' '#{lib}' 2>/dev/null")
+    end
+  end
+
+  puts "Bundled #{copied} macOS dependencies."
+end
+
+desc 'Test that native extension loads without LD_LIBRARY_PATH'
+task :test_native do
+  so_dir = File.expand_path(NATIVE_DIR, __dir__)
+  puts "Testing native extension loading from #{so_dir}..."
+
+  # Test without LD_LIBRARY_PATH
+  result = system("ruby -I#{so_dir} -Ilib -e \"require 'rdkit_chem'; puts 'SUCCESS: RDKitChem loaded'\"")
+
+  if result
+    puts "\nNative extension loads correctly without LD_LIBRARY_PATH!"
+  else
+    puts "\nFAILED: Still requires LD_LIBRARY_PATH. Run 'rake fix_rpath' first."
+    exit 1
+  end
+end
+
+desc 'Install gem locally'
+task :install => :build do
+  sh "gem install rdkit_chem-#{VERSION}.gem"
+end
+
+desc 'Clean build artifacts'
+task :clean do
+  FileUtils.rm_f(Dir.glob('*.gem'))
+  FileUtils.rm_rf('lib/rdkit_chem/3.0')
+  FileUtils.rm_rf('lib/rdkit_chem/3.1')
+  FileUtils.rm_rf('lib/rdkit_chem/3.2')
+  FileUtils.rm_rf('lib/rdkit_chem/3.3')
+end
+
+task default: :test

data/ext/rdkit_chem/CMakeLists.txt

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+cmake_minimum_required(VERSION 3.8)
+
+# Apple: Don't modify install_name when touching RPATH.
+if(POLICY CMP0068)
+  cmake_policy(SET CMP0068 NEW)
+endif()
+# target_sources: use absolute path for INTERFACE_SOURCES.
+if(POLICY CMP0076)
+  cmake_policy(SET CMP0076 NEW)
+endif()
+# SWIG: use standard target name.
+if(POLICY CMP0078)
+  cmake_policy(SET CMP0078 NEW)
+endif()
+# SWIG: use SWIG_MODULE_NAME property.
+if(POLICY CMP0086)
+  cmake_policy(SET CMP0086 NEW)
+endif()
+
+project (GraphMolRuby)
+
+include_directories( ${RDKit_ExternalDir} )
+
+find_package(Ruby REQUIRED)
+
+INCLUDE_DIRECTORIES(${RDKit_INCLUDE_DIR} ${RUBY_INCLUDE_PATH})
+
+SET_SOURCE_FILES_PROPERTIES(GraphMolRuby.i PROPERTIES CPLUSPLUS ON )
+
+SET(CMAKE_SWIG_OUTDIR ${CMAKE_CURRENT_SOURCE_DIR}/swig_ruby )
+
+if(RDK_BUILD_INCHI_SUPPORT)
+  SET(CMAKE_SWIG_FLAGS "-DRDK_BUILD_INCHI_SUPPORT" ${CMAKE_SWIG_FLAGS} )
+endif()
+if(RDK_BUILD_AVALON_SUPPORT)
+  SET(CMAKE_SWIG_FLAGS "-DRDK_BUILD_AVALON_SUPPORT" ${CMAKE_SWIG_FLAGS} )
+endif()
+if(RDK_USE_BOOST_IOSTREAMS)
+  SET(CMAKE_SWIG_FLAGS "-DRDK_USE_BOOST_IOSTREAMS" ${CMAKE_SWIG_FLAGS} )
+endif()
+
+FILE(GLOB SWIG_SRC_FILES "${CMAKE_CURRENT_SOURCE_DIR}/../*.i")
+
+# we added all source files, now remove the ones that we're not supporting in this build:
+if(NOT RDK_BUILD_AVALON_SUPPORT)
+LIST(REMOVE_ITEM SWIG_SRC_FILES "${CMAKE_CURRENT_SOURCE_DIR}/../AvalonLib.i")
+endif()
+
+if(NOT RDK_BUILD_INCHI_SUPPORT)
+LIST(REMOVE_ITEM SWIG_SRC_FILES "${CMAKE_CURRENT_SOURCE_DIR}/../Inchi.i")
+endif()
+
+SET(SWIG_MODULE_RDKitChem_EXTRA_DEPS ${SWIG_SRC_FILES} )
+SET(CMAKE_SWIG_FLAGS -small -naturalvar -autorename)
+
+SWIG_ADD_LIBRARY(RDKitChem TYPE MODULE LANGUAGE ruby SOURCES GraphMolRuby.i)
+
+# it doesnt seem like the threading libs should need to be here, but
+# as of Oct 2012 using boost 1.51 under at least ubuntu 12.04 we get a
+# link error if they aren't there.
+SWIG_LINK_LIBRARIES(RDKitChem
+  ${RDKit_Wrapper_Libs}
+  ${Boost_SERIALIZATION_LIBRARY}
+  ${RDKit_THREAD_LIBS})
+
+MESSAGE("serial: ${Boost_SERIALIZATION_LIBRARY}")
+MESSAGE("THREAD: ${RDKit_THREAD_LIBS}")
+
+INSTALL(TARGETS RDKitChem LIBRARY DESTINATION lib)

data/ext/rdkit_chem/Makefile

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+all:
+	true
+
+install:
+	true

data/ext/rdkit_chem/extconf.rb

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+# frozen_string_literal: true
+
+require 'fileutils'
+require 'rbconfig'
+require 'mkmf'
+
+main_dir = File.expand_path(File.join(File.dirname(__FILE__), '..', '..'))
+rdkit_dir = File.join(main_dir, 'rdkit')
+install_dir = File.join(main_dir, 'rdkit_chem')
+src_dir = rdkit_dir
+build_dir = File.join(src_dir, 'build')
+
+begin
+  nr_processors = `getconf _NPROCESSORS_ONLN`.to_i # should be POSIX compatible
+rescue StandardError
+  nr_processors = 1
+end
+
+def run_command(command, description)
+  puts description if description
+  success = system(command)
+  abort "ERROR: #{description || command} failed" unless success
+end
+
+FileUtils.mkdir_p rdkit_dir
+Dir.chdir main_dir do
+  FileUtils.rm_rf src_dir
+  run_command('git clone https://github.com/rdkit/rdkit.git', 'Downloading RDKit sources')
+end
+
+Dir.chdir(src_dir) do
+  run_command('git checkout c2e48f41d88ddc15c6e1f818d1c4ced70b7f20d1', 'Checking out RDKit sources')
+end
+
+FileUtils.cp_r(
+  File.join(main_dir, 'Code'),
+  File.join(rdkit_dir),
+  remove_destination: true
+)
+
+FileUtils.cp_r(
+  File.join(main_dir, 'CMakeLists.txt'),
+  File.join(rdkit_dir),
+  remove_destination: true
+)
+
+host_os = RbConfig::CONFIG['host_os']
+is_linux = host_os =~ /linux/
+is_mac = host_os =~ /darwin/
+ld_path = ''
+
+# macOS-specific compiler flags to fix Ruby header compatibility issues
+extra_cmake_flags = ''
+if is_mac
+  # -Wno-register: Ruby headers use deprecated 'register' keyword (removed in C++17)
+  # -DHAVE_ISFINITE=1: Prevents Ruby's finite() from conflicting with std::isfinite
+  cxx_flags = '-std=c++17 -stdlib=libc++ -Wno-register -DHAVE_ISFINITE=1'
+  extra_cmake_flags = " -DCMAKE_CXX_FLAGS='#{cxx_flags}'"
+end
+
+# Explicitly specify Ruby paths to avoid CMake finding system Ruby headers
+# This is critical on macOS where Xcode SDK contains incompatible Ruby headers
+ruby_executable = RbConfig.ruby
+ruby_include_dir = RbConfig::CONFIG['rubyhdrdir']
+ruby_arch_include_dir = RbConfig::CONFIG['rubyarchhdrdir']
+
+extra_cmake_flags += " -DRuby_EXECUTABLE=#{ruby_executable}"
+extra_cmake_flags += " -DRuby_INCLUDE_DIR=#{ruby_include_dir}"
+extra_cmake_flags += " -DRuby_CONFIG_INCLUDE_DIR=#{ruby_arch_include_dir}" if ruby_arch_include_dir
+extra_cmake_flags += " -DCMAKE_IGNORE_PREFIX_PATH='/Applications/Xcode.app;/Applications/Xcode_*.app'" if is_mac
+
+if is_linux || is_mac
+  ld_string = is_linux ? 'LD_LIBRARY_PATH' : 'DYLD_LIBRARY_PATH'
+  ld_path = "#{ld_string}=#{install_dir}/lib"
+  env_ld = ENV[ld_string] || ''
+
+  ld_path += ":#{env_ld}" unless env_ld.empty?
+end
+
+FileUtils.mkdir_p build_dir
+Dir.chdir build_dir do
+  cmake = "#{ld_path} cmake #{src_dir} -DRDK_INSTALL_INTREE=OFF " \
+          "-DCMAKE_INSTALL_PREFIX=#{install_dir} " \
+          '-DCMAKE_BUILD_TYPE=Release -DRDK_BUILD_PYTHON_WRAPPERS=OFF ' \
+          '-DRDK_BUILD_SWIG_WRAPPERS=ON -DRDK_BUILD_INCHI_SUPPORT=OFF ' \
+          "-DBoost_NO_BOOST_CMAKE=ON -DRDK_USE_BOOST_IOSTREAMS=OFF#{extra_cmake_flags}"
+  run_command(cmake, 'Configuring RDKit')
+end
+
+# local installation in gem directory
+Dir.chdir build_dir do
+  run_command("#{ld_path} make -j#{nr_processors}", 'Compiling RDKit sources')
+  run_command("#{ld_path} make install", 'Installing RDKit sources')
+end
+
+# Remove compiled file, free spaces
+FileUtils.remove_dir(rdkit_dir)
+
+# create a fake Makefile
+File.open(File.join(File.dirname(__FILE__), 'Makefile'), 'w+') do |makefile|
+  makefile.puts "all:\n\ttrue\n\ninstall:\n\ttrue\n"
+end
+
+$makefile_created = true

data/lib/rdkit_chem/3.1.0/libRDKitAbbreviations.1.dylib

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+libRDKitAbbreviations.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitAbbreviations.dylib

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+libRDKitAbbreviations.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitAlignment.1.dylib

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+libRDKitAlignment.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitAlignment.dylib

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+libRDKitAlignment.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitCIPLabeler.1.dylib

@@ -0,0 +1 @@
+libRDKitCIPLabeler.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitCIPLabeler.dylib

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+libRDKitCIPLabeler.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitCatalogs.1.dylib

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+libRDKitCatalogs.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitCatalogs.dylib

@@ -0,0 +1 @@
+libRDKitCatalogs.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitChemDraw.1.dylib

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+libRDKitChemDraw.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitChemDraw.dylib

@@ -0,0 +1 @@
+libRDKitChemDraw.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitChemReactions.1.dylib

@@ -0,0 +1 @@
+libRDKitChemReactions.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitChemReactions.dylib

@@ -0,0 +1 @@
+libRDKitChemReactions.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitChemTransforms.1.dylib

@@ -0,0 +1 @@
+libRDKitChemTransforms.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitChemTransforms.dylib

@@ -0,0 +1 @@
+libRDKitChemTransforms.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitChemicalFeatures.1.dylib

@@ -0,0 +1 @@
+libRDKitChemicalFeatures.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitChemicalFeatures.dylib

@@ -0,0 +1 @@
+libRDKitChemicalFeatures.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitDataStructs.1.dylib

@@ -0,0 +1 @@
+libRDKitDataStructs.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitDataStructs.dylib

@@ -0,0 +1 @@
+libRDKitDataStructs.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitDepictor.1.dylib

@@ -0,0 +1 @@
+libRDKitDepictor.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitDepictor.dylib

@@ -0,0 +1 @@
+libRDKitDepictor.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitDeprotect.1.dylib

@@ -0,0 +1 @@
+libRDKitDeprotect.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitDeprotect.dylib

@@ -0,0 +1 @@
+libRDKitDeprotect.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitDescriptors.1.dylib

@@ -0,0 +1 @@
+libRDKitDescriptors.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitDescriptors.dylib

@@ -0,0 +1 @@
+libRDKitDescriptors.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitDistGeomHelpers.1.dylib

@@ -0,0 +1 @@
+libRDKitDistGeomHelpers.2026.03.1pre.dylib

data/lib/rdkit_chem/3.1.0/libRDKitDistGeomHelpers.dylib

@@ -0,0 +1 @@
+libRDKitDistGeomHelpers.1.dylib

data/lib/rdkit_chem/3.1.0/libRDKitDistGeometry.1.dylib

@@ -0,0 +1 @@
+libRDKitDistGeometry.2026.03.1pre.dylib