conda-forge/rdkit-feedstock issues and pull requests

#190 - Add rdkit to global pinning

Issue - State: open - Opened by h-vetinari 2 days ago

#189 - rdkit v2024.09.4

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 1 month ago - 7 comments

#188 - rdkit v2024.09.3

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 2 months ago - 2 comments

#187 - rdkit v2024.09.2

Pull Request - State: closed - Opened by regro-cf-autotick-bot 3 months ago - 15 comments

#186 - Add compatible python to librdkit run_constrained

Pull Request - State: open - Opened by skearnes 3 months ago - 1 comment

#185 - Rebuild for libpq 17

Pull Request - State: closed - Opened by regro-cf-autotick-bot 4 months ago - 7 comments

#184 - Copy Contrib into the python package

Pull Request - State: closed - Opened by skearnes 4 months ago - 3 comments

#183 - The "Library/share/RDKit" directory is missing in newest conda releases

Issue - State: closed - Opened by kienerj 4 months ago - 6 comments
Labels: bug

#182 - Rebuild for libpq 17

Pull Request - State: closed - Opened by regro-cf-autotick-bot 4 months ago - 5 comments

#181 - Arch Migrator

Pull Request - State: closed - Opened by regro-cf-autotick-bot 4 months ago - 14 comments

#180 - Removing ancient builds with out-of-date version formulations

Issue - State: open - Opened by greglandrum 4 months ago - 1 comment
Labels: question

#179 - Rebuild for python 3.13

Pull Request - State: closed - Opened by regro-cf-autotick-bot 4 months ago - 1 comment

#178 - switch to 2024.09.1 release

Pull Request - State: closed - Opened by greglandrum 4 months ago - 4 comments

#177 - Rebuild for python 3.13

Pull Request - State: closed - Opened by regro-cf-autotick-bot 4 months ago - 2 comments
Labels: bot-rerun

#176 - Rebuild for python 3.13

Pull Request - State: closed - Opened by regro-cf-autotick-bot 4 months ago - 3 comments

#175 - Rebuild for libboost 1.86

Pull Request - State: closed - Opened by regro-cf-autotick-bot 4 months ago - 1 comment

#174 - Rebuild for python 3.13

Pull Request - State: closed - Opened by regro-cf-autotick-bot 4 months ago - 2 comments

#173 - rdkit v2024.03.6

Pull Request - State: closed - Opened by regro-cf-autotick-bot 5 months ago - 6 comments

#172 - Rebuild for libboost 1.86

Pull Request - State: closed - Opened by regro-cf-autotick-bot 5 months ago - 2 comments

#171 - add python, numpy, and boost deps to librdkit

Pull Request - State: open - Opened by greglandrum 5 months ago - 10 comments

#170 - python 3.12 builds reference python 3.10 in the RDKit cmake configuration

Issue - State: open - Opened by greglandrum 5 months ago - 5 comments
Labels: bug

#169 - Fix Windows DLL loading issue

Pull Request - State: closed - Opened by skearnes 6 months ago - 7 comments

#168 - DLL load failed while importing rdBase on Windows with RDKit 2024.03.5

Issue - State: closed - Opened by RMeli 6 months ago - 16 comments
Labels: bug

#167 - Many development headers missing for the 2024.03.5 rdkit-dev package

Issue - State: closed - Opened by lohedges 6 months ago - 14 comments
Labels: bug

#166 - Fixes for librdkit-dev and rdkit-postgresql

Pull Request - State: closed - Opened by skearnes 6 months ago - 9 comments

#165 - rdkit-postgresql is broken on OSX

Issue - State: closed - Opened by skearnes 6 months ago
Labels: bug

#164 - Future improvements

Issue - State: open - Opened by skearnes 6 months ago - 3 comments

#163 - 2024.03.5 Release

Pull Request - State: closed - Opened by greglandrum 6 months ago - 2 comments

#162 - New 2024.03.4 mac builds are broken

Issue - State: closed - Opened by greglandrum 6 months ago - 2 comments
Labels: bug

#161 - Switch to clang for osx, add pytest for test running

Pull Request - State: closed - Opened by bp-kelley 6 months ago - 3 comments

#160 - attempt numpy2 migration

Pull Request - State: closed - Opened by greglandrum 7 months ago - 7 comments

#159 - rdkit v2024.03.4

Pull Request - State: closed - Opened by regro-cf-autotick-bot 7 months ago - 1 comment

#158 - Refactor and add rdkit-postgresql output

Pull Request - State: closed - Opened by skearnes 7 months ago - 58 comments

#156 - Rebuild for numpy 2.0

Pull Request - State: closed - Opened by regro-cf-autotick-bot 8 months ago - 9 comments
Labels: bot-rerun

#154 - Improve packaging; split python bits from lib, add run-export; make `-dev` count

Issue - State: closed - Opened by h-vetinari 10 months ago - 6 comments

#140 - Arch Migrator

Pull Request - State: closed - Opened by regro-cf-autotick-bot over 1 year ago - 8 comments
Labels: bot-rerun

#128 - Adding rdkit-postgresql package

Issue - State: closed - Opened by peterbygrave almost 2 years ago - 10 comments
Labels: question

#111 - "undefined symbol" error when importing rdkit.Chem in fresh conda installation

Issue - State: open - Opened by mgarort over 2 years ago - 5 comments
Labels: bug

#103 - Remove rdkit-dev

Pull Request - State: open - Opened by n-elie over 2 years ago - 5 comments

#100 - aarch64 being skipped

Issue - State: open - Opened by jaimergp almost 3 years ago
Labels: bug

#100 - aarch64 being skipped

Issue - State: closed - Opened by jaimergp almost 3 years ago
Labels: bug

#99 - Rebuild for python310

Pull Request - State: closed - Opened by regro-cf-autotick-bot almost 3 years ago - 2 comments

#99 - Rebuild for python310

Pull Request - State: closed - Opened by regro-cf-autotick-bot almost 3 years ago - 2 comments

#98 - bump to version 2022.03.1

Pull Request - State: closed - Opened by greglandrum almost 3 years ago - 2 comments

#98 - bump to version 2022.03.1

Pull Request - State: closed - Opened by greglandrum almost 3 years ago - 2 comments

#97 - ImportError: DLL load failed: The specified procedure could not be found.

Issue - State: closed - Opened by mikemhenry almost 3 years ago - 1 comment
Labels: bug

#97 - ImportError: DLL load failed: The specified procedure could not be found.

Issue - State: closed - Opened by mikemhenry almost 3 years ago - 1 comment
Labels: bug

#96 - Rebuild for python310

Pull Request - State: closed - Opened by regro-cf-autotick-bot almost 3 years ago - 2 comments

#96 - Rebuild for python310

Pull Request - State: closed - Opened by regro-cf-autotick-bot almost 3 years ago - 2 comments

#95 - rdkit v2021.09.5

Pull Request - State: closed - Opened by regro-cf-autotick-bot almost 3 years ago - 2 comments

#95 - rdkit v2021.09.5

Pull Request - State: closed - Opened by regro-cf-autotick-bot almost 3 years ago - 2 comments

#94 - New build to fix broken 2021.09.4 package

Pull Request - State: closed - Opened by hadim almost 3 years ago - 8 comments

#94 - New build to fix broken 2021.09.4 package

Pull Request - State: closed - Opened by hadim almost 3 years ago - 8 comments

#93 - Latest build boost-cpp=1.74.0 causes "undefined symbol" error when importing rdkit.Chem from Python

Issue - State: closed - Opened by greglandrum almost 3 years ago - 4 comments

#93 - Latest build boost-cpp=1.74.0 causes "undefined symbol" error when importing rdkit.Chem from Python

Issue - State: closed - Opened by greglandrum almost 3 years ago - 4 comments

#92 - Rebuild for python310

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 4 comments

#92 - Rebuild for python310

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 4 comments

#91 - rdkit v2021.09.4

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 3 comments

#91 - rdkit v2021.09.4

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 3 comments

#90 - Rebuild for python310

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 2 comments
Labels: bot-rerun

#90 - Rebuild for python310

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 2 comments
Labels: bot-rerun

#89 - Question: most recent compiler versions available in conda-forge

Issue - State: closed - Opened by greglandrum about 3 years ago - 2 comments

#89 - Question: most recent compiler versions available in conda-forge

Issue - State: closed - Opened by greglandrum about 3 years ago - 2 comments

#88 - rdkit v2021.09.3

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 3 comments

#88 - rdkit v2021.09.3

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 3 comments

#87 - Rebuild for python310

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 2 comments

#87 - Rebuild for python310

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 2 comments

#86 - Switch to DLL builds on windows

Pull Request - State: closed - Opened by greglandrum about 3 years ago - 9 comments

#86 - Switch to DLL builds on windows

Pull Request - State: closed - Opened by greglandrum about 3 years ago - 9 comments

#85 - add previously vendored as explicit deps

Pull Request - State: closed - Opened by jaimergp about 3 years ago - 4 comments

#85 - add previously vendored as explicit deps

Pull Request - State: closed - Opened by jaimergp about 3 years ago - 4 comments

#84 - Unvendor some dependencies

Issue - State: open - Opened by jaimergp about 3 years ago - 1 comment

#84 - Unvendor some dependencies

Issue - State: open - Opened by jaimergp about 3 years ago - 1 comment

#83 - Rebuild for pypy37

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 2 comments

#83 - Rebuild for pypy37

Pull Request - State: closed - Opened by regro-cf-autotick-bot about 3 years ago - 2 comments

#82 - rdkit v2021.09.2

Pull Request - State: closed - Opened by regro-cf-autotick-bot over 3 years ago - 2 comments

#82 - rdkit v2021.09.2

Pull Request - State: closed - Opened by regro-cf-autotick-bot over 3 years ago - 2 comments

#81 - Rebuild for pypy37

Pull Request - State: closed - Opened by regro-cf-autotick-bot over 3 years ago - 2 comments

#81 - Rebuild for pypy37

Pull Request - State: closed - Opened by regro-cf-autotick-bot over 3 years ago - 2 comments

#80 - update to new release

Pull Request - State: closed - Opened by greglandrum over 3 years ago - 14 comments

#80 - update to new release

Pull Request - State: closed - Opened by greglandrum over 3 years ago - 14 comments

#79 - add freesasa build flag

Pull Request - State: closed - Opened by pstjohn over 3 years ago - 4 comments