Re: [Rdkit-discuss] (no subject)

[Jan H. J. <ja...@bi...>]

:: Building the RDKit PG cartridge on Windows, 64-bit.
:: Open a Visual Studio x64 Command Prompt window, then run make.bat in that window.

:: Based on the Makefile for the PG cartridge as in RDKit 2012_09_1.
:: This one is built without InChI support for simplicity.

@echo off

set RDBASE=C:\RDKit_2012_09_1
set RDKIT=%RDBASE%
set BOOSTHOME=C:\boost\boost_1_51_x64

set PG_INCL_ROOT=C:\pg_incl
set PG_INCL_SERVER=%PG_INCL_ROOT%\server\
set PG_INCL_WIN32=%PG_INCL_ROOT%\server\port\win32\

set PG_ALL_INCLUDES=/I %PG_INCL_SERVER% /I %PG_INCL_WIN32%

set INCLUDES=/I %BOOSTHOME% /I %RDKIT%\Code %PG_ALL_INCLUDES%

:: According to
::  http://exodusdb.googlecode.com/svn-history/r278/trunk/exodus/pgexodus/src/pgnaturalorder.cpp
::  https://exodusdb.googlecode.com/svn-history/r641/trunk/exodus/libpgexodus/src/pgexodus.c
:: it is important to define WIN32 and BUILDING_MODULE.
::
:: WIN32 to avoid the following errors originating in pg_config_os.h:
::  error C2011: 'timezone' : 'struct' type redefinition
::  error C2011: 'itimerval' : 'struct' type redefinition
::
:: BUILDING_MODULE to "ensure that Pg_module_function and friends are declared __declspec(dllexport)".
::
:: NOMINMAX is to suppress macro generation in WinDef.h that confuses the compiler so std::min() won't
:: be recognized, see e.g. http://www.suodenjoki.dk/us/archive/2010/min-max.htm
set DEFINES=/D WIN32 /D BUILDING_MODULE /D NOMINMAX /D RDKITVER=\"006000\"

set SRC_FILE_LIST=*.c *.cpp
:: For testing compile options etc. it can be useful to have an explicit list instead, as below.
:: set SRC_FILE_LIST=bfp_op.c cache.c guc.c mol_op.c low_gist.c rdkit_gist.c rdkit_io.c sfp_op.c adapter.cpp

:: /TP - compile in C++ mode since MSVC's C support is quite out-dated (not C99 compliant).
:: /MD - runtime linking. Omit this, and you will get tons of linking errors later.
:: /EHsc - enable unwind semantics since the C++ code handles exceptions.
for %%f in (%SRC_FILE_LIST%) do (
  cl /TP /MD /EHsc /c %INCLUDES% %DEFINES% %%f
  if errorlevel 1 goto :error
)

:: Linker setup.
set LINK_DIRS=/LIBPATH:%BOOSTHOME%\lib\ /LIBPATH:%PG_INCL_ROOT%\lib\ /LIBPATH:%RDBASE%\build\lib\Release
:: boost lib names prefixes and suffixes.
set BOPRE=boost_
set BOSUF=-vc100-mt-1_51.lib
set BOOST_LINK_LIBS=%BOPRE%system%BOSUF% %BOPRE%filesystem%BOSUF% %BOPRE%thread%BOSUF% %BOPRE%date_time%BOSUF% %BOPRE%chrono%BOSUF%
::
set PG_LINK_LIBS=postgres.lib
set RDKIT_LINK_LIBS=FileParsers.lib SmilesParse.lib Fingerprints.lib Subgraphs.lib SubstructMatch.lib Descriptors.lib PartialCharges.lib GraphMol.lib DataStructs.lib RDGeometryLib.lib RDGeneral.lib
::
set ALL_LINK_LIBS=%BOOST_LINK_LIBS% %PG_LINK_LIBS% %RDKIT_LINK_LIBS%

:: NOTE: Do not list rdkit_op.obj here, even though rdkit_op.c exists. It should not be linked in (see Linux Makefile).
set OBJ_FILE_LIST=rdkit_io.obj mol_op.obj bfp_op.obj sfp_op.obj rdkit_gist.obj low_gist.obj guc.obj cache.obj adapter.obj

link /DLL %LINK_DIRS% %ALL_LINK_LIBS% %OBJ_FILE_LIST% /out:rdkit.dll
if errorlevel 1 goto :error


goto :exit_ok


:error
echo "******** ERROR occurred **********"
goto :end

:exit_ok
goto :end

:end