InformaticsMatters / docker-rdkit

Lightweight RDKit images for production deployment
Apache License 2.0
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build.sh error #4

Closed FabriceSABOT closed 9 months ago

FabriceSABOT commented 3 years ago

Hello I am trying to build the project by runing ./build-debian.sh

 ---> Running in 49c6e7c563cc
-- The C compiler identification is GNU 8.3.0
-- The CXX compiler identification is GNU 8.3.0
-- Check for working C compiler: /usr/bin/cc
-- Check for working C compiler: /usr/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /usr/bin/c++
-- Check for working CXX compiler: /usr/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Check if the system is big endian
-- Searching 16 bit integer
-- Looking for sys/types.h
-- Looking for sys/types.h - found
-- Looking for stdint.h
-- Looking for stdint.h - found
-- Looking for stddef.h
-- Looking for stddef.h - found
-- Check size of unsigned short
-- Check size of unsigned short - done
-- Using unsigned short
-- Check if the system is big endian - little endian
-- Catch not found in /rdkit/External/catch/catch
Downloading https://github.com/catchorg/Catch2/archive/v2.12.1.tar.gz...
CATCH: /rdkit/External/catch/catch/single_include/catch2
-- Could NOT find InChI in system locations (missing: INCHI_LIBRARY INCHI_INCLUDE_DIR) 
Downloading http://www.inchi-trust.org/download/105/INCHI-1-SRC.zip...
-- Found PythonInterp: /usr/bin/python3 (found version "3.7.3") 
-- Found PythonLibs: /usr/lib/x86_64-linux-gnu/libpython3.7m.so (found version "3.7.3") 
Python Install directory /usr/lib/python3/dist-packages
PYTHON Py_ENABLE_SHARED: 1
PYTHON USING LINK LINE: -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro
-- Found Eigen3: /usr/include/eigen3 (Required is at least version "2.91.0") 
-- Looking for pthread.h
-- Looking for pthread.h - found
-- Looking for pthread_create
-- Looking for pthread_create - not found
-- Looking for pthread_create in pthreads
-- Looking for pthread_create in pthreads - not found
-- Looking for pthread_create in pthread
-- Looking for pthread_create in pthread - found
-- Found Threads: TRUE  
-- Boost version: 1.67.0
-- Found the following Boost libraries:
--   serialization
-- Found PostgreSQL: /usr/lib/x86_64-linux-gnu/libpq.so (found version "11.7 (Debian 11.7-0+deb10u1)") 
== Using strict rotor definition
Downloading http://sourceforge.net/projects/avalontoolkit/files/AvalonToolkit_1.2/AvalonToolkit_1.2.0.source.tar...
-- Boost version: 1.67.0
-- Found the following Boost libraries:
--   system
--   iostreams
--   regex
-- maeparser include dir set as 'maeparser_INCLUDE_DIRS-NOTFOUND'
-- maeparser libraries set as 'maeparser_LIBRARIES-NOTFOUND'
-- Could NOT find maeparser (missing: maeparser_INCLUDE_DIRS maeparser_LIBRARIES) 
Downloading https://github.com/schrodinger/maeparser/archive/v1.2.3.tar.gz...
-- coordgen include dir set as coordgen_INCLUDE_DIRS-NOTFOUND
-- coordgen libraries set as 'coordgen_LIBRARIES-NOTFOUND'
-- Could NOT find coordgen (missing: coordgen_INCLUDE_DIRS coordgen_LIBRARIES) 
Downloading https://github.com/schrodinger/coordgenlibs/archive/v1.4.1.tar.gz...
Downloading https://github.com/rareylab/RingDecomposerLib/archive/v1.1.3_rdkit.tar.gz...
-- Boost version: 1.67.0
-- Found the following Boost libraries:
--   iostreams
--   regex
-- Boost version: 1.67.0
-- Found the following Boost libraries:
--   system
--   iostreams
--   regex
-- Found ZLIB: /usr/lib/x86_64-linux-gnu/libz.so (found version "1.2.11") 
== Updating Filters.cpp from pains file
== Done updating pains files
CMake Error at /usr/share/cmake-3.13/Modules/FindPackageHandleStandardArgs.cmake:137 (message):
  Could NOT find Freetype (missing: FREETYPE_LIBRARY FREETYPE_INCLUDE_DIRS)
Call Stack (most recent call first):
  /usr/share/cmake-3.13/Modules/FindPackageHandleStandardArgs.cmake:378 (_FPHSA_FAILURE_MESSAGE)
  /usr/share/cmake-3.13/Modules/FindFreetype.cmake:156 (find_package_handle_standard_args)
  Code/GraphMol/MolDraw2D/CMakeLists.txt:66 (find_package)

-- Configuring incomplete, errors occurred!
See also "/rdkit/build/CMakeFiles/CMakeOutput.log".
See also "/rdkit/build/CMakeFiles/CMakeError.log".
The command '/bin/sh -c cmake -Wno-dev  -DPYTHON_EXECUTABLE=/usr/bin/python3  -DRDK_INSTALL_INTREE=OFF  -DRDK_BUILD_INCHI_SUPPORT=ON  -DRDK_BUILD_AVALON_SUPPORT=ON  -DRDK_BUILD_PYTHON_WRAPPERS=ON  -DRDK_BUILD_SWIG_WRAPPERS=ON  -DRDK_BUILD_PGSQL=ON  -DPostgreSQL_ROOT=/usr/lib/postgresql/$POSTGRES_VERSION  -DPostgreSQL_TYPE_INCLUDE_DIR=/usr/include/postgresql/$POSTGRES_VERSION/server  -DCMAKE_INSTALL_PREFIX=/usr  -DCPACK_PACKAGE_RELOCATABLE=OFF  ..' returned a non-zero code: 1

Any idea of what is wrong ?

Running on Ubuntu 18.04 Docker 19.03.12

tdudgeon commented 3 years ago

I'm not really sure. I'm seeing the same error when building on the master branch so I suspect this is a temp glitch with the RDKit build that will get fixed soon. It's builds fine from the Release_2020_03 branch.

FabriceSABOT commented 3 years ago

Thanks @tdudgeon , works fine effectively