Skip to content

Conda Docker build fails #50

@markussitzmann

Description

@markussitzmann

Hi,

If I checkout and either use master or develop, the Docker build ("docker build .") breaks (Docker runs on Fedora):

[...]
[100%] Built target rdMolDescriptors
[100%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
[100%] Built target rdChemReactions
[100%] Linking CXX executable testReaction
[100%] Built target testReaction
++ uname


Ran 4 tests in 0.031s

OK
......

Ran 6 tests in 0.031s

OK
....[16:07:34]


Pre-condition Violation
valence not defined for atoms not associated with molecules
Violation occurred on line 267 in file /home/rdkit/bld/rdkit_1494777495800/work/Code/GraphMol/Atom.cpp
Failed Expression: dp_mol


.

Ran 5 tests in 0.007s

OK
....

Ran 4 tests in 0.006s

OK
..

Ran 2 tests in 0.007s

OK
......................

Ran 22 tests in 0.025s

OK
.....s.................ss

Ran 25 tests in 0.102s

OK (skipped=3)
..s

Ran 3 tests in 0.125s

OK (skipped=1)
...................................

Ran 35 tests in 1.056s

OK
....

Ran 4 tests in 0.013s

OK
.

Ran 1 test in 0.007s

OK
......

Ran 6 tests in 0.025s

OK
...

Ran 3 tests in 0.045s

OK
.ss.ss.......

Ran 13 tests in 0.786s

OK (skipped=4)
...[16:07:38] WARNING: More than one matching pattern found - picking one
[16:07:38] WARNING: More than one matching pattern found - picking one
.[16:07:38] WARNING: More than one matching pattern found - picking one
..

Ran 6 tests in 0.061s

OK
........

Ran 8 tests in 0.084s

OK
.....

Ran 5 tests in 3.380s

OK
[16:07:42] WARNING: Omitted undefined stereo
[16:07:42] WARNING: Proton(s) added/removed
.....

Ran 5 tests in 8.343s

OK

InChI write Summary: 1164 identical, 0 suffix variance, 17 reasonable

InChI read Summary: 620 identical, 0 variance, 561 reasonable variance
....

Ran 4 tests in 2.088s

OK
......

Ran 6 tests in 0.286s

OK
Traceback (most recent call last):
File "UnitTestPandasTools.py", line 12, in
from rdkit.Chem import PandasTools
File "/home/rdkit/bld/rdkit_1494777495800/work/rdkit/Chem/PandasTools.py", line 154, in
from pandas.core import format as fmt # older versions
ImportError: cannot import name format
..

Ran 2 tests in 0.000s

OK
UnitTestDocTestsChem.py:5: DeprecationWarning: The rdkit.Chem.MCS module is deprecated; please use rdkit.Chem.rdFMCS instead.
from rdkit.Chem import MCS, FragmentMatcher, MACCSkeys, Descriptors, TemplateAlign
/home/rdkit/bld/rdkit_1494777495800/work/rdkit/Chem/MCS.py:1: DeprecationWarning: The rdkit.Chem.MCS module is deprecated; please use rdkit.Chem.rdFMCS instead.

This work was funded by Roche and generously donated to the free

.............[16:07:55] WARNING: More than one matching pattern found - picking one
[16:07:55] WARNING: More than one matching pattern found - picking one
........

Ran 21 tests in 0.731s

OK
..

Ran 2 tests in 0.061s

OK
..................

Ran 18 tests in 0.837s

OK
...

Ran 3 tests in 0.073s

OK
........

Ran 8 tests in 0.019s

OK
..

Ran 2 tests in 0.014s

OK
..

Ran 2 tests in 0.011s

OK
.

Ran 1 test in 0.056s

OK
........

Ran 8 tests in 0.001s

OK
...

Ran 3 tests in 0.004s

OK
...

Ran 3 tests in 0.001s

OK
....

Ran 4 tests in 0.003s

OK
......

Ran 6 tests in 0.009s

OK
....

Ran 4 tests in 0.012s

OK
....

Ran 4 tests in 2.571s

OK
..........

Ran 10 tests in 0.037s

OK
.

Ran 1 test in 0.000s

OK
..........

Ran 10 tests in 0.004s

OK
.....

Ran 5 tests in 0.051s

OK
.....................

Ran 21 tests in 3.186s

OK
.

Ran 1 test in 0.000s

OK
...[16:08:05]


Pre-condition Violation
molecule has no conformers
Violation occurred on line 37 in file /home/rdkit/bld/rdkit_1494777495800/work/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp
Failed Expression: dp_mol->getNumConformers()


.

Ran 4 tests in 0.018s

OK
..

Ran 2 tests in 6.986s

OK
..

Ran 2 tests in 0.075s

OK
...

Ran 3 tests in 0.008s

OK
....

Ran 4 tests in 0.015s

OK
..........

Ran 10 tests in 0.278s

OK
ssssss...s.....

Ran 15 tests in 0.159s

OK (skipped=7)
s

Ran 1 test in 0.000s

OK (skipped=1)
..........

Ran 10 tests in 0.425s

OK
..[16:08:14] reaction has no reactants
[16:08:14] reaction has no products
[16:08:14] initialization failed
[16:08:14] reaction has no reactants
[16:08:14] reaction has no products
.

Ran 3 tests in 0.020s

OK
................[16:08:14] ERROR:
[16:08:14] ERROR:
.

Ran 17 tests in 0.026s

OK
!!! TEST FAILURE: python UnitTestPandasTools.py {}
Exception TypeError: "'NoneType' object is not callable" in <function _removeHandlerRef at 0x7f4b48a6b668> ignored

99% tests passed, 1 tests failed out of 118

Total Test time (real) = 115.91 sec

The following tests FAILED:
118 - pythonTestDirChem (Failed)
BUILD START: rdkit-conda_version-np111py27_1
(actual version deferred until further download or env creation)

The following NEW packages will be INSTALLED:

boost:           1.56.0-py27_3      local
bzip2:           1.0.6-3                 
cairo:           1.14.6-nox_0       local [nox]
cmake:           3.6.3-0                 
curl:            7.52.1-0                
eigen:           3.2.8-2            local
expat:           2.1.0-0                 
fontconfig:      2.11.1-6                
freetype:        2.5.5-2                 
jbig:            2.1-0                   
jpeg:            9b-0                    
libiconv:        1.14-0                  
libpng:          1.6.27-0                
libtiff:         4.0.6-3                 
libxml2:         2.9.4-0                 
mkl:             2017.0.1-0              
ncurses:         5.9-10                  
nox:             1.0-0              local
numpy:           1.11.3-py27_0           
olefile:         0.44-py27_0             
openssl:         1.0.2k-2                
pandas:          0.20.1-np111py27_0      
pillow:          4.1.1-py27_0            
pip:             9.0.1-py27_1            
pixman:          0.32.6-0                
pkg-config:      0.28-1                  
python:          2.7.13-0                
python-dateutil: 2.6.0-py27_0            
pytz:            2017.2-py27_0           
readline:        6.2-2                   
requests:        2.14.2-py27_0           
setuptools:      27.2.0-py27_0           
six:             1.10.0-py27_0           
sqlite:          3.13.0-0                
tk:              8.5.18-0                
wheel:           0.29.0-py27_0           
xz:              5.2.2-1                 
zlib:            1.2.8-3                 

Applying patch: u'/home/rdkit/conda-rdkit/rdkit/rdpaths.patch'
Patch level ambiguous, selecting least deep
BUILD START (revised): rdkit-conda_version-np111py27_1
Package: rdkit-conda_version-np111py27_1
source tree in: /home/rdkit/bld/rdkit_1494777495800/work
Traceback (most recent call last):
File "/home/rdkit/miniconda/bin/conda-build", line 6, in
sys.exit(conda_build.cli.main_build.main())
File "/home/rdkit/miniconda/lib/python2.7/site-packages/conda_build/cli/main_build.py", line 334, in main
execute(sys.argv[1:])
File "/home/rdkit/miniconda/lib/python2.7/site-packages/conda_build/cli/main_build.py", line 325, in execute
noverify=args.no_verify)
File "/home/rdkit/miniconda/lib/python2.7/site-packages/conda_build/api.py", line 97, in build
need_source_download=need_source_download, config=config)
File "/home/rdkit/miniconda/lib/python2.7/site-packages/conda_build/build.py", line 1518, in build_tree
config=config)
File "/home/rdkit/miniconda/lib/python2.7/site-packages/conda_build/build.py", line 1143, in build
utils.check_call_env(cmd, env=env, cwd=src_dir)
File "/home/rdkit/miniconda/lib/python2.7/site-packages/conda_build/utils.py", line 628, in check_call_env
return _func_defaulting_env_to_os_environ(subprocess.check_call, *popenargs, **kwargs)
File "/home/rdkit/miniconda/lib/python2.7/site-packages/conda_build/utils.py", line 624, in _func_defaulting_env_to_os_environ
return func(_args, **kwargs)
File "/home/rdkit/miniconda/lib/python2.7/subprocess.py", line 186, in check_call
raise CalledProcessError(retcode, cmd)
subprocess.CalledProcessError: Command '['/bin/bash', '-x', '-e', '/home/rdkit/bld/rdkit_1494777495800/work/conda_build.sh']' returned non-zero exit status 8
The command '/bin/sh -c conda build boost --quiet --no-anaconda-upload && conda build nox --quiet --no-anaconda-upload && conda build cairo_nox --quiet --no-anaconda-upload && conda build cairocffi --quiet --no-anaconda-upload && conda build eigen --quiet --no-anaconda-upload && conda build rdkit --quiet --no-anaconda-upload && conda build ncurses --quiet --no-anaconda-upload && conda build postgresql --quiet --no-anaconda-upload && conda build rdkit-postgresql --quiet --no-anaconda-upload && conda build postgresql95 --quiet --no-anaconda-upload && conda build rdkit-postgresql95 --quiet --no-anaconda-upload && CONDA_PY=35 conda build boost --quiet --no-anaconda-upload && CONDA_PY=35 conda build nox --quiet --no-anaconda-upload && CONDA_PY=35 conda build cairo_nox --quiet --no-anaconda-upload && CONDA_PY=35 conda build cairocffi --quiet --no-anaconda-upload && CONDA_PY=35 conda build eigen --quiet --no-anaconda-upload && CONDA_PY=35 conda build rdkit --quiet --no-anaconda-upload && CONDA_PY=35 conda build postgresql --quiet --no-anaconda-upload && CONDA_PY=35 conda build rdkit-postgresql --quiet --no-anaconda-upload && CONDA_PY=35 conda build postgresql95 --quiet --no-anaconda-upload && CONDA_PY=35 conda build rdkit-postgresql95 --quiet --no-anaconda-upload && CONDA_NPY=110 conda build rdkit --quiet --no-anaconda-upload && CONDA_PY=35 CONDA_NPY=110 conda build rdkit --quiet --no-anaconda-upload' returned a non-zero code: 1
[sitzmann@green conda-rdkit]$

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions