mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
Some cleanups to make Travis builds faster (#1464)
* a bit of cleanup and modernization * switch to -j3 * back to -j2 * disable static libs * allow dynamic linking of swig wrappers * turn off the py27 builds while we are testing * Install java and SWIG * re-enable python2.7
This commit is contained in:
Greg Landrum
committed by
Brian Kelley
Brian Kelley
parent
83d62a71f2
commit
66779dfc8d
@@ -10,7 +10,7 @@ sudo: false
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before_install:
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# download and install miniconda
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- wget http://repo.continuum.io/miniconda/Miniconda-3.5.5-Linux-x86_64.sh -O miniconda.sh;
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- wget https://repo.continuum.io/miniconda/Miniconda3-4.3.21-Linux-x86_64.sh -O miniconda.sh;
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- bash miniconda.sh -b -p $HOME/conda
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- export PATH="$HOME/conda/bin:$PATH"
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- hash -r
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@@ -20,7 +20,7 @@ before_install:
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- conda info -a
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# create and activate the build/test environment
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- conda create -q -n tenv python=$TRAVIS_PYTHON_VERSION pip cmake
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- conda create -q -n tenv python=$TRAVIS_PYTHON_VERSION cmake
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- source activate tenv
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# additional .debs we need:
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@@ -60,8 +60,7 @@ script:
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- cd $RDBASE
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- mkdir build
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- cd build
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- cmake -D Python_ADDITIONAL_VERSIONS=$TRAVIS_PYTHON_VERSION -D PYTHON_EXECUTABLE=$PYTHON -D PYTHON_LIBRARY=`find $PY_PREFIX -name "libpython$TRAVIS_PYTHON_VERSION*.so"` -D PYTHON_NUMPY_INCLUDE_PATH=$PY_SP_DIR/numpy/core/include -D BOOST_ROOT=$PY_PREFIX -D Boost_NO_SYSTEM_PATHS=ON -D RDK_BUILD_SWIG_WRAPPERS=ON -D RDK_BUILD_AVALON_SUPPORT=ON -D RDK_BUILD_INCHI_SUPPORT=ON -DRDK_BUILD_THREADSAFE_SSS=on -DRDK_TEST_MULTITHREADED=on ..
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- cat CMakeCache.txt # useful for debugging/troubleshooting
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- cmake -D Python_ADDITIONAL_VERSIONS=$TRAVIS_PYTHON_VERSION -D PYTHON_EXECUTABLE=$PYTHON -D PYTHON_LIBRARY=`find $PY_PREFIX -name "libpython$TRAVIS_PYTHON_VERSION*.so"` -D PYTHON_NUMPY_INCLUDE_PATH=$PY_SP_DIR/numpy/core/include -D BOOST_ROOT=$PY_PREFIX -D Boost_NO_SYSTEM_PATHS=ON -D RDK_BUILD_AVALON_SUPPORT=ON -D RDK_BUILD_INCHI_SUPPORT=ON -DRDK_BUILD_THREADSAFE_SSS=on -DRDK_TEST_MULTITHREADED=on -DRDK_INSTALL_STATIC_LIBS=OFF -DRDK_BUILD_SWIG_WRAPPERS=ON -DRDK_SWIG_STATIC=OFF ..
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- make -j2
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- make install
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@@ -31,6 +31,7 @@ option(RDK_BUILD_SLN_SUPPORT "include support for the SLN format" ON )
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option(RDK_TEST_MULTITHREADED "run some tests of multithreading" ON )
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option(RDK_BUILD_SWIG_JAVA_WRAPPER "build the SWIG JAVA wrappers (does nothing if RDK_BUILD_SWIG_WRAPPERS is not set)" ON )
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option(RDK_BUILD_SWIG_CSHARP_WRAPPER "build the experimental SWIG C# wrappers (does nothing if RDK_BUILD_SWIG_WRAPPERS is not set)" OFF )
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option(RDK_SWIG_STATIC "statically link rdkit libraries into the SWIG wrappers" ON )
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option(RDK_TEST_MMFF_COMPLIANCE "run MMFF compliance tests (requires tar/gzip)" ON )
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option(RDK_BUILD_CPP_TESTS "build the c++ tests (disabing can speed up builds" ON)
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option(RDK_USE_FLEXBISON "use flex/bison, if available, to build the SMILES/SMARTS/SLN parsers" OFF)
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@@ -51,6 +52,14 @@ if(RDK_BUILD_SWIG_WRAPPERS!=ON)
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set(RDK_BUILD_SWIG_CSHARP_WRAPPER OFF)
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endif()
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if(RDK_SWIG_STATIC AND RDK_BUILD_SWIG_WRAPPERS)
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if(NOT RDK_INSTALL_STATIC_LIBS)
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message("Enabling RDK_INSTALL_STATIC_LIBS because RDK_SWIG_STATIC is set.")
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set(RDK_INSTALL_STATIC_LIBS ON CACHE BOOL "install the rdkit static libraries" FORCE)
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endif(NOT RDK_INSTALL_STATIC_LIBS)
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endif()
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if(RDK_PGSQL_STATIC AND RDK_BUILD_PGSQL)
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if(NOT RDK_INSTALL_STATIC_LIBS)
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message("Enabling RDK_INSTALL_STATIC_LIBS because RDK_PGSQL_STATIC is set.")
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@@ -5,53 +5,32 @@ INCLUDE_DIRECTORIES(${CMAKE_CURRENT_SOURCE_DIR})
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SET(CMAKE_SWIG_FLAGS "")
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if(WIN32)
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set(RDKit_Wrapper_Libs
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FilterCatalog
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Catalogs
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${Boost_SERIALIZATION_LIBRARY}
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FMCS MolDraw2D
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FileParsers SmilesParse
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Depictor SubstructMatch ChemReactions Fingerprints ChemTransforms
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Descriptors MolTransforms PartialCharges
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Subgraphs GraphMol DataStructs Trajectory
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DistGeomHelpers DistGeometry ForceFieldHelpers ForceField
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EigenSolvers
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Optimizer
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MolAlign
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Alignment
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SimDivPickers
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RDGeometryLib RDGeneral )
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if(RDK_BUILD_INCHI_SUPPORT)
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set(RDKit_Wrapper_Libs RDInchiLib Inchi ${RDKit_Wrapper_Libs})
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endif(RDK_BUILD_INCHI_SUPPORT)
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if(RDK_BUILD_AVALON_SUPPORT)
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set(RDKit_Wrapper_Libs AvalonLib avalon_clib ${RDKit_Wrapper_Libs})
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endif(RDK_BUILD_AVALON_SUPPORT)
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else()
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set(RDKit_Wrapper_Libs
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Catalogs_static
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FilterCatalog_static
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${Boost_SERIALIZATION_LIBRARY}
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FMCS_static MolDraw2D_static
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FileParsers_static SmilesParse_static
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Depictor_static SubstructMatch_static ChemReactions_static Fingerprints_static ChemTransforms_static
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Subgraphs_static GraphMol_static DataStructs_static Trajectory_static Descriptors_static
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PartialCharges_static MolTransforms_static DistGeomHelpers_static DistGeometry_static
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ForceFieldHelpers_static ForceField_static
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EigenSolvers_static
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Optimizer_static
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MolAlign_static
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Alignment_static
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SimDivPickers_static
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RDGeometryLib_static RDGeneral_static )
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if(RDK_BUILD_INCHI_SUPPORT)
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set(RDKit_Wrapper_Libs RDInchiLib_static Inchi_static ${RDKit_Wrapper_Libs})
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endif(RDK_BUILD_INCHI_SUPPORT)
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if(RDK_BUILD_AVALON_SUPPORT)
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set(RDKit_Wrapper_Libs AvalonLib_static avalon_clib_static ${RDKit_Wrapper_Libs})
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endif(RDK_BUILD_AVALON_SUPPORT)
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set(swigRDKitLibSuffix "")
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if(RDK_SWIG_STATIC AND (NOT MSVC))
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set(swigRDKitLibSuffix "_static")
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endif()
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set(swigRDKitLibList "")
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if(RDK_BUILD_AVALON_SUPPORT)
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set(swigRDKitLibList "${swigRDKitLibList}AvalonLib;avalon_clib;")
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endif(RDK_BUILD_AVALON_SUPPORT)
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if(RDK_BUILD_INCHI_SUPPORT)
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set(swigRDKitLibList "${swigRDKitLibList}RDInchiLib;${INCHI_LIBRARIES};")
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endif(RDK_BUILD_INCHI_SUPPORT)
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set(swigRDKitLibList "${swigRDKitLibList}"
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"FilterCatalog;Catalogs;FMCS;MolDraw2D;FileParsers;SmilesParse;"
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"Depictor;SubstructMatch;ChemReactions;Fingerprints;ChemTransforms;"
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"Subgraphs;GraphMol;DataStructs;Trajectory;Descriptors;"
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"PartialCharges;MolTransforms;DistGeomHelpers;DistGeometry;"
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"ForceFieldHelpers;ForceField;EigenSolvers;Optimizer;MolAlign;"
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"Alignment;SimDivPickers;RDGeometryLib;RDGeneral;"
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)
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foreach(swigRDKitLib ${swigRDKitLibList})
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set(swigRDKitLibs "${swigRDKitLibs}${swigRDKitLib}${swigRDKitLibSuffix};")
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endforeach()
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set(swigRDKitLibs "${swigRDKitLibs}${Boost_SERIALIZATION_LIBRARY}")
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set(RDKit_Wrapper_Libs ${swigRDKitLibs})
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if(RDK_BUILD_SWIG_JAVA_WRAPPER)
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add_subdirectory(gmwrapper)
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