labstructbioinf / rossmann-toolbox

Prediction and re-engineering of the cofactor specificity of Rossmann-fold proteins
MIT License
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Errors on install from github #9

Closed Rmadeye closed 11 months ago

Rmadeye commented 1 year ago
  1. Installing from pip:

    ERROR: Could not find a version that satisfies the requirement dgl==0.6.1 (from rossmann-toolbox) (from versions: 0.1.0, 0.1.2, 0.1.3, 1.0.0, 1.0.1, 1.0.4, 1.1.0, 1.1.1, 1.1.2)
    ERROR: No matching distribution found for dgl==0.6.1

    When dgl changed to 1.1.2, installing fails at bliss:

    
            /tmp/pip-install-ovktqweu/blis_571b05cef4074ec29d928282a71c916e/blis/_src/include/linux-x86_64/blis.h:4151:15: warning: ‘bli_is_odd’ defined but not used [-Wunused-function]
             static bool_t bli_is_odd( gint_t a )
                           ^~~~~~~~~~
            /tmp/pip-install-ovktqweu/blis_571b05cef4074ec29d928282a71c916e/blis/_src/include/linux-x86_64/blis.h:4132:16: warning: ‘bli_round_to_mult’ defined but not used [-Wunused-function]
             static guint_t bli_round_to_mult( guint_t val, guint_t mult )
                            ^~~~~~~~~~~~~~~~~
            /tmp/pip-install-ovktqweu/blis_571b05cef4074ec29d928282a71c916e/blis/_src/include/linux-x86_64/blis.h:4125:15: warning: ‘bli_round’ defined but not used [-Wunused-function]
             static double bli_round( double a )
                           ^~~~~~~~~
            /tmp/pip-install-ovktqweu/blis_571b05cef4074ec29d928282a71c916e/blis/_src/include/linux-x86_64/blis.h:1644:13: warning: ‘bli_obj_init_subpart_from’ defined but not used [-Wunused-function]
             static void bli_obj_init_subpart_from( obj_t* a, obj_t* b )
                         ^~~~~~~~~~~~~~~~~~~~~~~~~
            error: command '/usr/bin/gcc' failed with exit code 1
            [end of output]
    
        note: This error originates from a subprocess, and is likely not a problem with pip.
        ERROR: Failed building wheel for blis
        Running setup.py clean for blis
      Failed to build preshed thinc blis
      ERROR: Could not build wheels for preshed, thinc, blis, which is required to install pyproject.toml-based projects
      [end of output]

Installing bliss using pip (as well as python-dev) did not fix the issue
mktaylor4 commented 1 year ago

not sure if this is the ~best~ answer to your question (I only started coding a few months ago), but I looked at their .toml and .lock files for all the packages required, I found it best to make a venv or conda env with python =3.7. Then you can do

wget https://files.pythonhosted.org/packages/71/c4/ce24841375cf4393787dbf9a645e271c19a03d2d9a0e5770b08ba76bcfde/dgl-0.6.1-cp37-cp37m-manylinux1_x86_64.whl

then pip install dgl-0.6.1-cp37-cp37m-manylinux1_x86_64.whl to get the specific dgl you are looking for! There may be some other dependencies that come up that you have to specifically install prior to pip install git+https://github.com/labstructbioinf/rossmann-toolbox.git , but I hope that helps :-)