When your psi4 binary through anaconda.org has been working and then conda update --psi4 behaves suspiciously or isn’t compiled to high enough angular momentum, report that here. I may have been testing a build that I oughtn’t to have allowed upload.
I updated the psi4 conda binary to py27_ga2a32a7 and run the suggested testing one-liner (stability2 test). Small numeric deviations are reported:
Stability eigenvalues with symmetry: computed value (0.094068) does not match (0.0940978061581).
@hokru Thats the one test case which seems to have issues. Were still not sure why this is happening, but as long as the eigenvalue is positive it should not effect any results. We should probably switch away from this as our example test case however.
No problem. I remember the stability test issue showing up in some github email.
Such small differences could stem from something simple as cutting of some decimals from atomic coordinates (not that I assume that this is the case).
just dutifully reporting as the miniconda output tells me 
@hokru More data is always appreciated! Thank you for the report.
Atomic coordinates should always be the same, so probably not the issue here. Im guessing this is something to do in the Davidson iterations. Davidson updates can deal with very small numbers in a denominator and care needs to be given so that this does not effect the results.
My psi4 binary through Miniconda works well, but when I try conda update --psi4, I get a number of error messages along the lines of:
The following packages will be UPDATED:
psi4: 1.0.24-py27_g45aac03 psi4 --> 1.0.54-py27_g8d4cec3 psi4
Proceed ([y]/n)? y
ERROR conda.core.link:_execute_actions(335): An error occurred while installing package 'psi4::psi4-1.0.54-py27_g8d4cec3'.
CondaError: Cannot link a source that does not exist. /home/limvt/local/miniconda2/pkgs/psi4-1.0.54-py27_g8d4cec3/bin/psi4
Attempting to roll back.
CondaError: Cannot link a source that does not exist. /home/limvt/local/miniconda2/pkgs/psi4-1.0.54-py27_g8d4cec3/bin/psi4
When I try conda --update all, this is a snippet of what I get:
CondaVerificationError: The package for psi4 located at /home/limvt/local/miniconda2/pkgs/psi4-1.0.54-py27_g8d4cec3
appears to be corrupted. The path 'share/psi4/python/qcdb/periodictable.py'
specified in the package manifest cannot be found.
CondaVerificationError: The package for psi4 located at /home/limvt/local/miniconda2/pkgs/psi4-1.0.54-py27_g8d4cec3
appears to be corrupted. The path 'share/psi4/quadratures/1_sqrtx/tabelle'
specified in the package manifest cannot be found.
CondaVerificationError: The package for psi4 located at /home/limvt/local/miniconda2/pkgs/psi4-1.0.54-py27_g8d4cec3
appears to be corrupted. The path 'share/psi4/scripts/valgrind-python.supp'
specified in the package manifest cannot be found.
Are you wanting the latest in the 1.0 series (1.0.54 vs. 1.0.24 which probably isn’t much of a change)? Or the latest development of psi4 (~1.1rc1)?
If the latter, there have been so many structural changes that you don’t want to update, you just want to fresh install into a new environment.
conda create -n p4env python=x.x psi4 psi4-deps -c psi4/label/devel -c psi4
Same for Mac/Linux. Substitute desired python version: 2.7, 3.5, 3.6. Only reason for psi4-deps is to get the qc runtime addons; could say “dftd3 gcp v2rdm_casscf” instead of “psi4-deps”; or leave them out if you don’t want them. Activate environment and make the adjustmets to PATH and PSI_SCRATCH that it suggests at the end. Test with psi4 --test.