{"id":15118794,"url":"https://github.com/rdkit/homebrew-rdkit","last_synced_at":"2025-04-12T13:33:05.882Z","repository":{"id":3026143,"uuid":"4046075","full_name":"rdkit/homebrew-rdkit","owner":"rdkit","description":"Homebrew formula for rdkit","archived":false,"fork":false,"pushed_at":"2022-06-22T08:12:35.000Z","size":95,"stargazers_count":45,"open_issues_count":5,"forks_count":19,"subscribers_count":10,"default_branch":"master","last_synced_at":"2025-03-26T08:22:13.919Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Ruby","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/rdkit.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null}},"created_at":"2012-04-16T21:25:56.000Z","updated_at":"2025-02-02T01:59:45.000Z","dependencies_parsed_at":"2022-08-26T03:02:15.597Z","dependency_job_id":null,"html_url":"https://github.com/rdkit/homebrew-rdkit","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rdkit%2Fhomebrew-rdkit","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rdkit%2Fhomebrew-rdkit/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rdkit%2Fhomebrew-rdkit/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rdkit%2Fhomebrew-rdkit/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/rdkit","download_url":"https://codeload.github.com/rdkit/homebrew-rdkit/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248573590,"owners_count":21126865,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":[],"created_at":"2024-09-26T01:53:38.289Z","updated_at":"2025-04-12T13:33:05.641Z","avatar_url":"https://github.com/rdkit.png","language":"Ruby","funding_links":[],"categories":["Ranked by starred repositories"],"sub_categories":[],"readme":"```\nWARNING: this repository is outdated. Please consider using the more recent brew formula\nWARNING: to install rdkit. The new formula does not require you to use the rdkit/rdkit tap\nWARNING: and installs python bindings.\nWARNING: pip might be able to install rdkit also: pip3 install rdkit\nWARNING: Cf. https://formulae.brew.sh/formula/rdkit#default (brew install rdkit).\n```\n\n[![Build status](https://travis-ci.org/rdkit/homebrew-rdkit.svg)](https://travis-ci.org/rdkit/homebrew-rdkit)\n\n# Homebrew-rdkit: tap-ready formula for rdkit\n\nFirst, make sure you Homebrew version is 0.9 or above (you can check your brew version with `brew --version`).\n\nAfter tapping this repo with\n\n    brew tap rdkit/rdkit\n\nYou can install [rdkit](http://rdkit.org) with just one line of command:\n\n    brew install rdkit --with-python3\n\nIf you want to stay on the edge and use the latest and greatest from GitHub:\n\n    brew install --HEAD rdkit --with-python3\n\n### Optional installs\n\n- `--with-python3` will install the Python 3 wrapper.\n- `--with-java` will install the Java wrapper.\n- `--with-inchi` will install the InChI support. This will download InChI from https://inchi-trust.org if necessary.\n- `--with-avalon` will install the Avalon toolkit support. This will download the Avalon Toolkit source.\n- `--with-postgresql` will install the PostgreSQL cartridge.\n- `--with-pycairo` if you want to draw molecules with Cairo.\n\n### Forcing brew to install rdkit and all its dependencies from scratch\n\nBrew is not a very smart or reliable package manager.\nIf you encounter any error, you might try the following to force installing\nrdkit:\n\n    # backup your brew installed packages list\n    brew list --formula \u003e my_brew_packages.txt\n    # uninstall all of them\n    brew uninstall --force $(cat my_brew_packages.txt)\n    # install rdkit from scratch\n    brew install rdkit --with-python3\n\n### Errors you might encounter\n\n- *Unsatisfied dependency: numpy*\n\nBy default, Homebrew will attempt to install and manage numpy for you, like all other dependencies. You may alternatively install and manage numpy separately, via `pip`:\n\n    pip3 install numpy\n    brew install rdkit --with-python3 --without-numpy\n\n- *Fatal Python error: Interpreter not initialized (version mismatch?)*\n\nThis indicates that rdkit or one of its dependencies (e.g. boost) was linked\nagainst a different version of Python than the one you are using it with.\nTry rebuilding boost from source:\n\n    brew uninstall boost\n    brew install boost --build-from-source\n\nIf that doesn't fix it, try comparing the output of these three commands:\n\n    python-config --prefix\n    find /usr/local/Cellar/rdkit -name rdBase.so -exec otool -L {} \\;\n    find /usr/local/Cellar/boost -name libboost_python-mt.dylib -exec otool -L {} \\;\n\n- *TypeError: No to_python (by-value) converter found for C++ type: boost::shared_ptr\u003cRDKit::ROMol\u003e*\n\nThis is likely due to a bug in boost-python v1.60, which has now been patched in the boost homebrew formula. To get the patch, run:\n\n    brew reinstall boost\n    brew reinstall rdkit\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frdkit%2Fhomebrew-rdkit","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Frdkit%2Fhomebrew-rdkit","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frdkit%2Fhomebrew-rdkit/lists"}