how to compile a torch/tensorflow version of Rosetta

[ning-2022]

Hi Guys,

Very happy to get these wonderful protein design tools.  Thanks so much for your efforts. Recently, I need to install the torch/tensorflow version for Rosetta.  I run this commands: ./scons.py  -j 14 bin mode=release extras=pytorch,tensorflow

But it complained this error as following:

g++ -o build/src/release/linux/5.15/64/x86/gcc/7/pytorch/protocols/inverse_folding/MIFST.os -c -ffor-scope -isystem external/boost_submod/ -isystem external/ -isystem external/include/ -isystem external/dbio/ -isystem external/libxml2/include -isystem external/rdkit -std=c++1y -pipe -Wall -Wextra -pedantic -Wno-long-long -Wno-strict-aliasing -march=core2 -mtune=generic -O3 -ffast-math -fno-finite-math-only -funroll-loops -finline-functions -finline-limit=20000 -s -Wno-unused-variable -Wno-unused-parameter -fPIC -DBOOST_ERROR_CODE_HEADER_ONLY -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_MATH_NO_LONG_DOUBLE_MATH_FUNCTIONS -DBOOST_DISABLE_THREADS -DPTR_STD -DNDEBUG -DUSE_PYTORCH -DCXX14 -DCXX14_OR_LATER -Isrc -Iexternal/include -Isrc/platform/linux/64/gcc/7 -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isrc/platform/linux -Iexternal/libtorch/include src/protocols/inverse_folding/MIFST.cc
In file included from src/protocols/inverse_folding/MIFST.cc:17:0:
src/protocols/inverse_folding/MIFST.hh:41:10: fatal error: torch/script.h: No such file or directory
#include <torch/script.h>
^~~~~~~~~~~~~~~~
compilation terminated.
scons: *** [build/src/release/linux/5.15/64/x86/gcc/7/pytorch/protocols/inverse_folding/MIFST.os] Error 1
scons: building terminated because of errors.

Please help me to fix this bug. I also tried to find the installation guide on the documentation page (https://www.rosettacommons.org/docs/latest/build_documentation/Building-Rosetta-with-TensorFlow-and-PyTorch), but it told me that I don't have right to access. If you have any suggestions for this, please help me. I really appreciates.

Best regards,
Ning

[ning-2022]

Sorry to forget to give the version of Rosetta I used. It's 3.14 version.

Ning

[roccomoretti]

The URL for the documentation is https://docs.rosettacommons.org/docs/latest/build_documentation/Building-Rosetta-with-TensorFlow-and-Torch

Relevant, the reason for the move is that we changed "pytorch" to simply "torch" with respect to Rosetta. (As we just use the underlying C++ library libtorch, and don't use the python wrappers.) For recent versions of Rosetta you'd use extras=torch,tensorflow to compile, but with Rosetta 3.14, you'd still use extras=pytorch,tensorflow (adjust the documentation as appropriate.)

[ning-2022]

Thanks so much for your help. Great, it works!
I always learn a lot from your comments when beginning to study Rosetta.

Ning