python – Unable to install autodock vina (potentially due to boost)

As part of a script I am writing, I need to install the package autodock vina for the purpose of ligand and protein binding. Every time I attempt to “pip install vina”, I recieve an error message “ValueError: Boost library location was not found!”. Upon attempting to install boost manually, I have been unable to run the bootstrap file, as it does not make the b2 folder that online tutorials say it will make.

To resolve this issue, I installed conda, and made an active environment with every single prerequisite, including boost, installed. I have checked for the version of all of these prerequisites and confirmed their existence, as well as double and triple-checking that I am in the write active environment. Upon installation, I either get the same issue (using conda install vina) or when using “conda install -c bioconda autodock-vina”, I get a message saying that the package does not exist (despite adding cforge and bioconda as active package handlers , and the existence of said package is clearly documented online). Does anyone have any suggestions? I’ve been attempting to install this piece of software for 3 days and I’ve completely exhausted the documentation, as well as all other similar question answers, with nothing working.

Full error message:

Collecting vina Using cached vina-1.2.3.tar.gz (95 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 1.2.3 (from init.py) running egg_info creating vina.egg-info writing vina.egg-infoPKG-INFO writing dependency_links to vina.egg-infodependency_links.txt writing requirements to vina.egg-inforequires.txt writing top-level names to vina.egg-infotop_level.txt writing manifest file ‘vina.egg-infoSOURCES.txt’ Boost library is not installed in this conda environment. Traceback (most recent call last): File “C:UserschrisAppDataLocalProgramsPythonPython310libsite-packagespip_vendorpep517in_process_in_process.py”, line 363, in main() File “C:UserschrisAppDataLocalProgramsPythonPython310libsite-packagespip_vendorpep517in_process_in_process.py”, line 345, in main json_out[‘return_val’] = hook(**hook_input[‘kwargs’]) File “C:UserschrisAppDataLocalProgramsPythonPython310libsite-packagespip_vendorpep517in_process_in_process.py”, line 130, in get_requires_for_build_wheel hook(config_settings) File “C: UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptoolsbuild_meta.py”, line 177, in get_requires_for_build_wheel return self._get_build_requiresUs( File:”C: chrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptoolsbuild_meta.py”, line 159, in get_build_requires self.run_setup() File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptoolsbuild_meta.py”, line 174, in run_setupecec (compile(code, file‘exec’), locals()) File “setup.py”, line 346, in setup( File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLib site-packagessetuptools_init.py”, line 87, in setup return distutils.core.setup(**attrs) File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packages setuptools_distutilscore.py”, line 148, in setup return run_commands(dist) File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptools_distutils core.py”, line 163, in run_commands dist.run_commands() File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptools_distutilsdist .py”, line 967, in run_commands self.run_command(cmd) File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptoolsdist. py”, line 1214, in run_command super().run_command(command) File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptools_distutilsdist .py”, line 986, in run_command cmd_obj.run() File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptoolscommandegg_info .py”, line 308, in run self.find_sources() File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptoolscommandegg_info .py”, line 315, in find_sources mm.run() File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptoolscommandegg_info .py”, line 550, in run self.add_defaults() File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptoolscommandegg_info .py”, line 587, in add_defaults sdist.add_defaults(self) File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptools_distutilscommand sdist.py”, line 228, in add_defaults self._add_defaults_ext() File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite-packagessetuptools_distutilscommand sdist.py”, line 311, in _add_defaults_ext build_ext = self.get_finalized_command(‘build_ext’) File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibs ite-packagessetuptools_distutilscmd.py”, line 299, in get_finalized_command cmd_obj.ensure_finalized() File “C:UserschrisAppDataLocalTemppip-build-env-r7vbpka4overlayLibsite- packagessetuptools_distutilscmd.py”, line 107, in ensure_finalized self.finalize_options() File “setup.py”, line 247, in finalize_options raise ValueError(error_msg) 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.

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