rdkit conda-rdkit issues

rdkit / conda-rdkit

Conda build recipe for the rdkit

50 stars 30 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

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

#93 OrlaneZang closed 1 year ago
1
RDkit 2020.09.4 release issues with Conda-forge build and other modules (Python3-saml)

#92 AlDossetter opened 3 years ago
12
[WIP] Build RDKIT with python 3.8

#91 lilleswing closed 3 years ago
0
Issues with pandas on Ubuntu.

#90 alvesvm closed 4 years ago
2
Changed CMake parameter to RDK_OPTIMIZE_POPCNT (see rdkit PR #2865)

#89 ElianeBriand closed 4 years ago
1
remove things we never build

#88 greglandrum closed 4 years ago
2
ArgumentError: Python argument types in rdkit.Chem.rdMolDescriptors.CalcCrippenDescriptors(NoneType) did not match C++ signature:

#87 muammar closed 4 years ago
6
Fixes broken PostgreSQL cartridge build on Windows

#86 ptosco closed 4 years ago
9
Fixes broken PostgreSQL cartridge build on Windows

#85 ptosco closed 4 years ago
1
Default rdkit from conda uses outdated version

#84 vfscalfani closed 2 years ago
8
mirror development over to master

#83 greglandrum closed 4 years ago
3
Cannot import rdEHTTools

#82 ChayaSt closed 4 years ago
2
Error building conda-rdkit behind a firewall

#81 dvidmon closed 4 years ago
3
clean install of conda python 3.7 rdkit rdkit for postgres on ubuntu 18.04 has boost version issues

#79 dpwildboar opened 5 years ago
6
rdkit installs libboost 1.67.0 rdkit-postgresql wants 1.65.1

#78 dpwildboar opened 5 years ago
2
psql error

#80 ValeryPolyakov closed 5 years ago
5
Conda package rdkit-postgresql downgrades my rdkit conda package

#77 malteseunderdog closed 5 years ago
2
Fix runtime specification for boost

#76 bp-kelley closed 4 years ago
1
py-boost runtime should be = not >=

#75 bp-kelley opened 5 years ago
2
is it expected that boost is pulled from conda3 main channel and not rdkit?

#74 truatpasteurdotfr closed 5 years ago
2
be less specific about the boost version

#73 greglandrum closed 6 years ago
3
pin the runtime dependency from the boost libraries

#72 rvianello closed 6 years ago
0
Need some way to lock the version of boost to what we build against

#71 greglandrum opened 6 years ago
14
Adds travis-ci builds to conda-rdkit

#70 greglandrum closed 6 years ago
2
Merge development branch onto master

#69 greglandrum closed 6 years ago
1
remove the now obsolete rdkit-postgresql95 recipe

#68 rvianello closed 6 years ago
0
speed up postgresql builds

#67 greglandrum closed 6 years ago
0
fix unix boost version to 1.65.1

#66 markussitzmann closed 6 years ago
4
update the rdkit-postgresql recipe for release 2018.03

#65 rvianello closed 6 years ago
8
Updates for the new conda

#64 greglandrum closed 6 years ago
3
Failure with conda build rdkit in Linux

#63 yuj-umd opened 6 years ago
0
rdkit builds fail because of sourceforge.net downloads?

#62 markussitzmann closed 6 years ago
1
rdkit build fail

#61 mark-str opened 6 years ago
0
Import error in jupyter and pycharm (Windows10)

#60 tatabox2000 closed 6 years ago
1
Updates conda version to conda 3.0 compatible version

#59 bp-kelley closed 6 years ago
2
implemented alternative versioning mechanism to __conda_version__ (issue #53)

#58 ptosco closed 5 years ago
6
RuntimeError when using numpy <1.13

#57 marta-sd opened 6 years ago
6
Numerous updates

#56 greglandrum closed 6 years ago
2
review the dependency from ICU

#55 rvianello opened 6 years ago
0
merge development branch back over to master

#54 greglandrum closed 6 years ago
2
conda-build v3.0 breaks the rdkit recipes

#53 rvianello opened 7 years ago
9
- added recipes for Windows PostgreSQL dependencies

#52 ptosco closed 7 years ago
3
- enable conda-rdkit builds on all platforms

#51 ptosco closed 7 years ago
4
Conda Docker build fails

#50 markussitzmann opened 7 years ago
2
conda build fails with latest anaconda on Windows 10

#49 bfunchess opened 7 years ago
2
Package not found on macOS: rdkit-postgresql

#48 akokai opened 7 years ago
3
RDKit for python 3.6

#47 Dgelemi closed 7 years ago
1
Test in `conda build rdkit` fails in Ubuntu 14.04

#46 delta2323 closed 7 years ago
4
update boost build to symlink python lib for all 3.x

#45 lewisacidic closed 6 years ago
1
consider porting to conda-forge?

#44 pstjohn closed 1 year ago
2