* Fist pass at CDX support
* Enable CDX support for reading (also) in the CDXMLParser API
* Add cdxml test files
* Update swig wrappers for CDXMLFormat and Parameters
* Add constructor to ChemDrawParserParams
* Add Java SWIG support for ChemDraw
* Add chemdraw define to rdconfig
* Add missing chemdraw deps
* Remove direct expat link
* Fix Java linkages for ChemDraw
* Remove bad merge code
* Remove bad merge code
* Fix csharp builds
* Add sniffer for the ChemDraw DataStream
* Include filesystem
* Fix test on windows
* Add more CDX tests
* Ensure streams are open in binary mode to support CDX on windows
* Fix text to show that a Block is the text input, not a file
* Fix CSharp test
* Disable CDX tests when not building chemdraw
* Turn back on chemdraw
* Response to review
* Turn off chemdraw support for the limited external test
---------
Co-authored-by: Brian Kelley <bkelley@glysade.com>
* Add mono build back into C# build
* Add mono build back into C# build
* Add mono build back into C# build
* Don't do mono build on Linux if dotnet is used
* CSharp dotnet build always on windows. Enable dotnet testing in vs_build_swit
* Fix typos
* Dotnet core build and test for RDKit
* Cmake dot net build and ctest working on windows
* Remove old Linux mono build
* Update to net8 and create RDK_BUILD_DOTNET_CSHARP_TESTS flag
* add RDKIT_CFFI_STATIC option
minimallib cmake cleanup
* clean up a lot of boost::iostreams nonsense
* find_package(boost cleanup
* update the swig wrappers
* updates to psql
* get the Qt demo working again
* fix? coordgen
* only use std::regex in moldraw2d test
this is consistent with the other tests
* cleanup the serialization stuff too
* - setenv() should be defined also for MinGW builds, not just MSVC
- fixed getBestRMS signature (ROMol& should be const)
- expose normalizeDepiction(), straightenDepiction(), getBestRMS(), CalcRMS() and getBestAlignmentTransform() to SWIG wrappers
- expose MolFromSmiles() overload taking SmilesParserParams parameter to SWIG wrappers
- expose DoubleVector class to SWIG wrappers as it is needed by alignment functions
- replace std::string with const std::string& in several SWIG wrapper signatures
- build RDKit2DotNet.dll as a 64-bit library on MinGW 64-bit
- add Java tests for the newly exposed SWIG functions
- fixed inconsistent indentation in Chemv2Tests.java
* changes in response to review
* fix typo
* reverted file committed by mistake
Co-authored-by: Tosco, Paolo <paolo.tosco@novartis.com>
* - fixes MinGW build
- make sure that supplier istream is opened in binary mode or istream::tellg() will
report wrong offsets on MinGW builds (MSVC will make no difference)
- avoid that in MSVC conda DLL builds the libboost_*.lib static
libraries are picked by cmake instead of the boost_*.lib import libraries
by defining BOOST_ALL_DYN_LINK
* - make sure that C# wrappers build with MinGW compilers
- make sure that static builds work under Windows with both MSVC and
MinGW
* - disable building static libraries on Windows also when using MinGW compilers
- fix the C# wrapper build on Windows under both MSVC and MinGW
* reverted -DSWIGWORDSIZE64 as it was originally
* reverted -DSWIGWORDSIZE64 definition
Co-authored-by: Paolo Tosco <paolo.tosco@novartis.com>
* add linux_java build
* trigger azure pipelines builds on dev/ branches
* make sure boost::iostreams gets linked in the SWIG wrappers
* updates to get static boost builds working on mac
* update linux a bit and add mac build
* forgot to save the mac file
* install version of boost with -fPIC
* try to force use of the boost installed in /usr
* typo
* add library hint
* diagnosing a failing build
* be explicit about CXX version
* try to force use of the system compilers
instead of the ones from conda
* stop using conda
* typp
* re-enable full build
* disable the appveyor builds
* this is a rough first pass, needs to be finished and is a strong argument for changing the names of some of the #defines that are currently used
* rationalize the rest of the #defines
add something to the release notes about this
* Fixes csharp build for 64 bit systems
* Need to support make and make install stages
* switch to an alternate strategy and get it working for the java wrappers too
this now builds for me on 64bit win10 with MSVC14
* add missing files from that last commit
* Hopefully fixes unix and osx builds while maintaining msvc builds
* Fixes mono builds, removes python check
