* added NOMINMAX flag for Windows builds
* fix link paths for Windows conda
* add C++ 17 standard to the python library compilation as well
* Revert "add C++ 17 standard to the python library compilation as well"
This reverts commit c69b68a073.
* fix the c++17 flag for Windows
* modify setup.py to fix issues for Windows
* change setup.py again
* fix for dll detection on Windows
* handle at feedstock
* windows cuda fixes
* undo CUDA patches which were not working
* try to manually point the linker to cuda.lib
* make the string raw
* Changes needed for wheels
* Remove version pin
* Update version number
* Set version number in CMake
* Store version number in CMake cache
* Fixed typo
* Try to fix CI on Linux
* Don't install POCL on Mac
* Don't install khronos-opencl-icd-loader
* Update OpenMM version
* Updated tested versions
* Fixed version number
* Install correct packages for CUDA 12
* Debugging
* Debugging
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* Debugging
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* Debugging
* Try different method of installing CUDA
* Try not installing CUDA packages from conda
* Debugging
* Debugging
* Debugging
* Debugging
* Debugging
* Don't build OpenCL on Mac
* Don't try to run tests that can't run correctly
* Update C++ version and minimum macOS version
* Debugging
* Debugging
* Debugging
* Debugging
* Debugging
* Debugging
* Fixed working directory for tests
* Fixes to testing
* Try using PyTorch 2.3
* Try using PyTorch 2.2
* Switch back to PyTorch 2.1
* Add version number as a member to TorchForceProxy
* Encode the model file contents when serializing TorchForce
* Add tests for new TorchForce serialization
* Fix test not finding Python executable
* Format include directives correctly
* Hardcode TorchForceProxy version number
* Fix formatting issues
* Move Python serialization test to the correct place
* Make function encodeFromFileName static
* Update serialization python test to correctly remove temporary files after executing
* Use the base64 encoding capabilities of openssl to serialize model file
* Update TorchForce serializer
* Add a constructor to TorchForce that takes a torch::jit::Module.
TorchForce(string fileName) is implemented by delegating to the new
constructor.
Update serialization test accordingly to compare the module file name
and the module itself.
* Remove unnecessary include
* Change i_file to file in TorchForce constructor
* Add swig typemaps to new TorchForce constructor
* Add setup.py as a dependency for the PythonInstall CMake rule
* Fix swig out typemap for torch::jit::Module
Now it is possible to call getModule() on a TorchForce object from
Python, which will return a module of the same type as, for instance, torch.jit.load()
* Remove commented line in CMakeLists.txt
* Remove unnecessary dependency in setup.py
* Add more tests for new constructor
* Add some comments for the new constructor
* Updates to TorchForce serialization
* Use hex encoding instead of base64 for serialization.
SSL no longer a direct dependency.
* Remove unnecessary header
* Update Python serialization test
* Minor changes
* Improve temporary path handling in python serialization tests
* More informative exception when failing to serialize TorchForce
* Remove unnecessary check in TorchForce serialization
* Changes to C++ serialization tests
* Changes to C++ serialization tests
