No module named oldnumeric

Bug #1640586 reported by Andreas E.
14
This bug affects 3 people
Affects Status Importance Assigned to Milestone
autodocktools (Ubuntu)
Confirmed
Undecided
Unassigned
mgltools-pmv (Debian)
Fix Released
Unknown
mgltools-pmv (Ubuntu)
Confirmed
Undecided
Unassigned

Bug Description

When running Autodock Tools scripts, one commonly gets the error "ImportError: No module named oldnumeric"

Example:
/usr/lib/python2.7/dist-packages/AutoDockTools/Utilities24/prepare_ligand4.py -l tmp.pdb -o ligand.pdbqt -A checkhydrogens

 Traceback (most recent call last):
  File "/usr/lib/python2.7/dist-packages/AutoDockTools/Utilities24/prepare_ligand4.py", line 11, in <module>
    from AutoDockTools.MoleculePreparation import AD4LigandPreparation
  File "/usr/lib/python2.7/dist-packages/AutoDockTools/MoleculePreparation.py", line 12, in <module>
    from MolKit.torTree import TorTree
  File "/usr/lib/python2.7/dist-packages/MolKit/torTree.py", line 12, in <module>
    from molecule import AtomSet, BondSet
  File "/usr/lib/python2.7/dist-packages/MolKit/molecule.py", line 26, in <module>
    from numpy.oldnumeric import sum, array, less_equal, take, nonzero, argsort
ImportError: No module named oldnumeric

The suggested workaround to downgrade numpy used to work in 16.04. (https://www.researchgate.net/post/Can_anyone_solve_prepare_Ligandpy_error_importerror_no_module_named_oldnumeric)

    sudo pip install numpy==1.8

But it fails in 16.10 with "RuntimeError: module compiled against API version 0xa but this version of numpy is 0x9"

If the autodocktools package is put into Ubuntu 16.10 repositories, it should be compiled against a compatible numpy version, and the repositories should also provide the appropriate numpy version.

ProblemType: Bug
DistroRelease: Ubuntu 16.10
Package: autodocktools 1.5.7-1
ProcVersionSignature: Ubuntu 4.8.0-26.28-generic 4.8.0
Uname: Linux 4.8.0-26-generic x86_64
ApportVersion: 2.20.3-0ubuntu8
Architecture: amd64
CurrentDesktop: Unity
Date: Wed Nov 9 20:21:40 2016
EcryptfsInUse: Yes
InstallationDate: Installed on 2016-11-05 (4 days ago)
InstallationMedia: Ubuntu 16.10 "Yakkety Yak" - Release amd64 (20161012.2)
PackageArchitecture: all
SourcePackage: autodocktools
UpgradeStatus: No upgrade log present (probably fresh install)

Revision history for this message
Andreas E. (andreas-e) wrote :
Changed in mgltools-pmv (Debian):
status: Unknown → New
Revision history for this message
Launchpad Janitor (janitor) wrote :

Status changed to 'Confirmed' because the bug affects multiple users.

Changed in autodocktools (Ubuntu):
status: New → Confirmed
Changed in mgltools-pmv (Ubuntu):
status: New → Confirmed
Revision history for this message
Bakary N'tji Diallo (diallobakary4) wrote :

Thank you.

I could solve the error installing numpy 1.8.

Changed in mgltools-pmv (Debian):
status: New → Fix Released
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