[Debichem-devel] Bug#769297: nwchem: basis sets not found

[Michael Banck]

Package: nwchem
Version: 6.5+r26243-1
Severity: important

Since 6.5, the basis sets are no longer found when run:

|  warning:::::::::::::: from_compile
|  NWCHEM_BASIS_LIBRARY is:
|</build/nwchem-8nohmr/nwchem-6.5+r26243/src/basis/libraries/>
|  but file does not exist or you do not have access to it !
| Attempting to read a basis set from a  non-existing file:
| /build/nwchem-8nohmr/nwchem-6.5+r26243/src/basis/libraries/6-31g
|
| ------------------------------------------------------------------------
| bas_tag_lib: failed opening basis file                   0
| ------------------------------------------------------------------------
| input error at line   14: at end of line looking for character string
|   O library 6-31g*

This is apparently due to 01_hardcode_basis-sets_location.patch not
being ported forward from 6.3


Michael