ccsb-scripps / AutoDock-Vina

AutoDock Vina
http://vina.scripps.edu
Apache License 2.0
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an error with pip install vina #260

Open tomlongcool opened 9 months ago

tomlongcool commented 9 months ago

Looking in indexes: https://pypi.tuna.tsinghua.edu.cn/simple Collecting vina Using cached https://pypi.tuna.tsinghua.edu.cn/packages/75/b2/1dad979aea28fcca8aa06832744aa1b62ab80cad08980115a580a4861b8d/vina-1.2.5.tar.gz (89 kB) Installing build dependencies ... done Getting requirements to build wheel ... error error: subprocess-exited-with-error

× Getting requirements to build wheel did not run successfully. │ exit code: 1 ╰─> [56 lines of output] Version found 1.2.5 (from init.py) running egg_info creating vina.egg-info writing vina.egg-info\PKG-INFO writing dependency_links to vina.egg-info\dependency_links.txt writing requirements to vina.egg-info\requires.txt writing top-level names to vina.egg-info\top_level.txt writing manifest file 'vina.egg-info\SOURCES.txt' Boost library is not installed in this conda environment. Traceback (most recent call last): File "C:\Users\zhaol.conda\envs\jupyter_dock\lib\site-packages\pip_vendor\pyproject_hooks_in_process_in_process.py", line 353, in main() File "C:\Users\zhaol.conda\envs\jupyter_dock\lib\site-packages\pip_vendor\pyproject_hooks_in_process_in_process.py", line 335, in main json_out['return_val'] = hook(hook_input['kwargs']) File "C:\Users\zhaol.conda\envs\jupyter_dock\lib\site-packages\pip_vendor\pyproject_hooks_in_process_in_process.py", line 118, in get_requires_for_build_wheel return hook(config_settings) File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools\build_meta.py", line 325, in get_requires_for_build_wheel return self._get_build_requires(config_settings, requirements=['wheel']) File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools\build_meta.py", line 295, in _get_build_requires self.run_setup() File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools\build_meta.py", line 311, in run_setup exec(code, locals()) File "", line 346, in File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools__init__.py", line 103, in setup return distutils.core.setup(attrs) File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools_distutils\core.py", line 185, in setup return run_commands(dist) File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools_distutils\core.py", line 201, in run_commands dist.run_commands() File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools_distutils\dist.py", line 969, in run_commands self.run_command(cmd) File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools\dist.py", line 963, in run_command super().run_command(command) File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools_distutils\dist.py", line 988, in run_command cmd_obj.run() File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools\command\egg_info.py", line 321, in run self.find_sources() File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools\command\egg_info.py", line 329, in find_sources mm.run() File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools\command\egg_info.py", line 551, in run self.add_defaults() File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools\command\egg_info.py", line 589, in add_defaults sdist.add_defaults(self) File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools\command\sdist.py", line 112, in add_defaults super().add_defaults() File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools_distutils\command\sdist.py", line 251, in add_defaults self._add_defaults_ext() File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools_distutils\command\sdist.py", line 335, in _add_defaults_ext build_ext = self.get_finalized_command('build_ext') File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools_distutils\cmd.py", line 305, in get_finalized_command cmd_obj.ensure_finalized() File "C:\Users\zhaol\AppData\Local\Temp\pip-build-env-dkc_93fy\overlay\Lib\site-packages\setuptools_distutils\cmd.py", line 111, in ensure_finalized self.finalize_options() File "", line 247, in finalize_options ValueError: Boost library location was not found! Directories searched: conda env, /usr/local/include and /usr/include. [end of output]

note: This error originates from a subprocess, and is likely not a problem with pip. error: subprocess-exited-with-error

× Getting requirements to build wheel did not run successfully. │ exit code: 1 ╰─> See above for output.

note: This error originates from a subprocess, and is likely not a problem with pip.

Solarrixs commented 7 months ago

I have the same error

diogomart commented 7 months ago

The error message says that boost is missing. One way to install it is with conda or mamba or micromamba

Solarrixs commented 7 months ago

Yes, I have installed boost. brew install boost. I simlinked it into the correct path as well.

diogomart commented 7 months ago

I see. The error is still there though. We have not gotten python bindings to work on windows, so maybe it's something else. Sorry, cant help much.