Ecosyste.ms: Issues

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GitHub / rdkit/conda-rdkit issues and pull requests

#93 - Explicit valence for atom # 1 O, 3, is greater than permitted

Issue - State: closed - Opened by OrlaneZang over 1 year ago - 1 comment

#93 - Explicit valence for atom # 1 O, 3, is greater than permitted

Issue - State: closed - Opened by OrlaneZang over 1 year ago - 1 comment

#91 - [WIP] Build RDKIT with python 3.8

Pull Request - State: closed - Opened by lilleswing about 4 years ago

#91 - [WIP] Build RDKIT with python 3.8

Pull Request - State: closed - Opened by lilleswing about 4 years ago

#90 - Issues with pandas on Ubuntu.

Issue - State: closed - Opened by alvesvm over 4 years ago - 2 comments

#90 - Issues with pandas on Ubuntu.

Issue - State: closed - Opened by alvesvm over 4 years ago - 2 comments

#89 - Changed CMake parameter to RDK_OPTIMIZE_POPCNT (see rdkit PR #2865)

Pull Request - State: closed - Opened by ElianeBriand almost 5 years ago - 1 comment

#89 - Changed CMake parameter to RDK_OPTIMIZE_POPCNT (see rdkit PR #2865)

Pull Request - State: closed - Opened by ElianeBriand almost 5 years ago - 1 comment

#88 - remove things we never build

Pull Request - State: closed - Opened by greglandrum almost 5 years ago - 2 comments

#88 - remove things we never build

Pull Request - State: closed - Opened by greglandrum almost 5 years ago - 2 comments

#86 - Fixes broken PostgreSQL cartridge build on Windows

Pull Request - State: closed - Opened by ptosco almost 5 years ago - 9 comments

#86 - Fixes broken PostgreSQL cartridge build on Windows

Pull Request - State: closed - Opened by ptosco almost 5 years ago - 9 comments

#85 - Fixes broken PostgreSQL cartridge build on Windows

Pull Request - State: closed - Opened by ptosco almost 5 years ago - 1 comment

#85 - Fixes broken PostgreSQL cartridge build on Windows

Pull Request - State: closed - Opened by ptosco almost 5 years ago - 1 comment

#84 - Default rdkit from conda uses outdated version

Issue - State: closed - Opened by vfscalfani almost 5 years ago - 8 comments

#84 - Default rdkit from conda uses outdated version

Issue - State: closed - Opened by vfscalfani almost 5 years ago - 8 comments

#83 - mirror development over to master

Pull Request - State: closed - Opened by greglandrum about 5 years ago - 3 comments

#83 - mirror development over to master

Pull Request - State: closed - Opened by greglandrum about 5 years ago - 3 comments

#82 - Cannot import rdEHTTools

Issue - State: closed - Opened by ChayaSt about 5 years ago - 2 comments

#82 - Cannot import rdEHTTools

Issue - State: closed - Opened by ChayaSt about 5 years ago - 2 comments

#81 - Error building conda-rdkit behind a firewall

Issue - State: closed - Opened by dvidmon about 5 years ago - 3 comments

#81 - Error building conda-rdkit behind a firewall

Issue - State: closed - Opened by dvidmon about 5 years ago - 3 comments

#80 - psql error

Issue - State: closed - Opened by ValeryPolyakov over 5 years ago - 5 comments

#80 - psql error

Issue - State: closed - Opened by ValeryPolyakov over 5 years ago - 5 comments

#78 - rdkit installs libboost 1.67.0 rdkit-postgresql wants 1.65.1

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

#78 - rdkit installs libboost 1.67.0 rdkit-postgresql wants 1.65.1

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

#77 - Conda package rdkit-postgresql downgrades my rdkit conda package

Issue - State: closed - Opened by malteseunderdog over 5 years ago - 2 comments

#77 - Conda package rdkit-postgresql downgrades my rdkit conda package

Issue - State: closed - Opened by malteseunderdog over 5 years ago - 2 comments

#76 - Fix runtime specification for boost

Pull Request - State: closed - Opened by bp-kelley almost 6 years ago - 1 comment

#76 - Fix runtime specification for boost

Pull Request - State: closed - Opened by bp-kelley almost 6 years ago - 1 comment

#75 - py-boost runtime should be = not >=

Issue - State: open - Opened by bp-kelley almost 6 years ago - 2 comments

#75 - py-boost runtime should be = not >=

Issue - State: open - Opened by bp-kelley almost 6 years ago - 2 comments

#73 - be less specific about the boost version

Pull Request - State: closed - Opened by greglandrum over 6 years ago - 3 comments

#73 - be less specific about the boost version

Pull Request - State: closed - Opened by greglandrum over 6 years ago - 3 comments

#72 - pin the runtime dependency from the boost libraries

Pull Request - State: closed - Opened by rvianello over 6 years ago

#72 - pin the runtime dependency from the boost libraries

Pull Request - State: closed - Opened by rvianello over 6 years ago

#71 - Need some way to lock the version of boost to what we build against

Issue - State: open - Opened by greglandrum over 6 years ago - 14 comments
Labels: bug

#71 - Need some way to lock the version of boost to what we build against

Issue - State: open - Opened by greglandrum over 6 years ago - 14 comments
Labels: bug

#70 - Adds travis-ci builds to conda-rdkit

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

#70 - Adds travis-ci builds to conda-rdkit

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

#69 - Merge development branch onto master

Pull Request - State: closed - Opened by greglandrum over 6 years ago - 1 comment

#69 - Merge development branch onto master

Pull Request - State: closed - Opened by greglandrum over 6 years ago - 1 comment

#68 - remove the now obsolete rdkit-postgresql95 recipe

Pull Request - State: closed - Opened by rvianello over 6 years ago

#68 - remove the now obsolete rdkit-postgresql95 recipe

Pull Request - State: closed - Opened by rvianello over 6 years ago

#67 - speed up postgresql builds

Pull Request - State: closed - Opened by greglandrum over 6 years ago
Labels: enhancement

#67 - speed up postgresql builds

Pull Request - State: closed - Opened by greglandrum over 6 years ago
Labels: enhancement

#66 - fix unix boost version to 1.65.1

Pull Request - State: closed - Opened by markussitzmann over 6 years ago - 4 comments

#66 - fix unix boost version to 1.65.1

Pull Request - State: closed - Opened by markussitzmann over 6 years ago - 4 comments

#65 - update the rdkit-postgresql recipe for release 2018.03

Pull Request - State: closed - Opened by rvianello over 6 years ago - 8 comments

#65 - update the rdkit-postgresql recipe for release 2018.03

Pull Request - State: closed - Opened by rvianello over 6 years ago - 8 comments

#64 - Updates for the new conda

Pull Request - State: closed - Opened by greglandrum over 6 years ago - 3 comments

#64 - Updates for the new conda

Pull Request - State: closed - Opened by greglandrum over 6 years ago - 3 comments

#63 - Failure with conda build rdkit in Linux

Issue - State: open - Opened by yuj-umd over 6 years ago

#63 - Failure with conda build rdkit in Linux

Issue - State: open - Opened by yuj-umd over 6 years ago

#62 - rdkit builds fail because of sourceforge.net downloads?

Issue - State: closed - Opened by markussitzmann over 6 years ago - 1 comment

#62 - rdkit builds fail because of sourceforge.net downloads?

Issue - State: closed - Opened by markussitzmann over 6 years ago - 1 comment

#61 - rdkit build fail

Issue - State: open - Opened by mark-str almost 7 years ago

#61 - rdkit build fail

Issue - State: open - Opened by mark-str almost 7 years ago

#60 - Import error in jupyter and pycharm (Windows10)

Issue - State: closed - Opened by tatabox2000 almost 7 years ago - 1 comment

#60 - Import error in jupyter and pycharm (Windows10)

Issue - State: closed - Opened by tatabox2000 almost 7 years ago - 1 comment

#59 - Updates conda version to conda 3.0 compatible version

Pull Request - State: closed - Opened by bp-kelley about 7 years ago - 2 comments

#59 - Updates conda version to conda 3.0 compatible version

Pull Request - State: closed - Opened by bp-kelley about 7 years ago - 2 comments

#58 - implemented alternative versioning mechanism to __conda_version__ (issue #53)

Pull Request - State: closed - Opened by ptosco about 7 years ago - 6 comments

#58 - implemented alternative versioning mechanism to __conda_version__ (issue #53)

Pull Request - State: closed - Opened by ptosco about 7 years ago - 6 comments

#57 - RuntimeError when using numpy <1.13

Issue - State: open - Opened by marta-sd about 7 years ago - 6 comments

#57 - RuntimeError when using numpy <1.13

Issue - State: open - Opened by marta-sd about 7 years ago - 6 comments

#56 - Numerous updates

Pull Request - State: closed - Opened by greglandrum about 7 years ago - 2 comments

#56 - Numerous updates

Pull Request - State: closed - Opened by greglandrum about 7 years ago - 2 comments

#55 - review the dependency from ICU

Issue - State: open - Opened by rvianello about 7 years ago

#55 - review the dependency from ICU

Issue - State: open - Opened by rvianello about 7 years ago

#54 - merge development branch back over to master

Pull Request - State: closed - Opened by greglandrum over 7 years ago - 2 comments

#54 - merge development branch back over to master

Pull Request - State: closed - Opened by greglandrum over 7 years ago - 2 comments

#53 - conda-build v3.0 breaks the rdkit recipes

Issue - State: open - Opened by rvianello over 7 years ago - 9 comments
Labels: bug

#53 - conda-build v3.0 breaks the rdkit recipes

Issue - State: open - Opened by rvianello over 7 years ago - 9 comments
Labels: bug

#52 - - added recipes for Windows PostgreSQL dependencies

Pull Request - State: closed - Opened by ptosco over 7 years ago - 3 comments

#52 - - added recipes for Windows PostgreSQL dependencies

Pull Request - State: closed - Opened by ptosco over 7 years ago - 3 comments

#51 - - enable conda-rdkit builds on all platforms

Pull Request - State: closed - Opened by ptosco over 7 years ago - 4 comments
Labels: enhancement

#51 - - enable conda-rdkit builds on all platforms

Pull Request - State: closed - Opened by ptosco over 7 years ago - 4 comments
Labels: enhancement

#50 - Conda Docker build fails

Issue - State: open - Opened by markussitzmann over 7 years ago - 2 comments

#50 - Conda Docker build fails

Issue - State: open - Opened by markussitzmann over 7 years ago - 2 comments

#49 - conda build fails with latest anaconda on Windows 10

Issue - State: open - Opened by bfunchess over 7 years ago - 2 comments

#49 - conda build fails with latest anaconda on Windows 10

Issue - State: open - Opened by bfunchess over 7 years ago - 2 comments

#48 - Package not found on macOS: rdkit-postgresql

Issue - State: open - Opened by akokai over 7 years ago - 3 comments

#48 - Package not found on macOS: rdkit-postgresql

Issue - State: open - Opened by akokai over 7 years ago - 3 comments

#47 - RDKit for python 3.6

Issue - State: closed - Opened by Dgelemi over 7 years ago - 1 comment

#47 - RDKit for python 3.6

Issue - State: closed - Opened by Dgelemi over 7 years ago - 1 comment

#46 - Test in `conda build rdkit` fails in Ubuntu 14.04

Issue - State: closed - Opened by delta2323 over 7 years ago - 4 comments
Labels: question

#46 - Test in `conda build rdkit` fails in Ubuntu 14.04

Issue - State: closed - Opened by delta2323 over 7 years ago - 4 comments
Labels: question

#45 - update boost build to symlink python lib for all 3.x

Pull Request - State: closed - Opened by lewisacidic almost 8 years ago - 1 comment

#45 - update boost build to symlink python lib for all 3.x

Pull Request - State: closed - Opened by lewisacidic almost 8 years ago - 1 comment

#44 - consider porting to conda-forge?

Issue - State: closed - Opened by pstjohn almost 8 years ago - 2 comments

#44 - consider porting to conda-forge?

Issue - State: closed - Opened by pstjohn almost 8 years ago - 2 comments