G03/09 parser: importing gaussian log file -- " Warning: This calculation does not have a valid basis set. Orbitals cannot be computed."

[ohlincha]

NOTE: Bug is triggered ONLY on importing a gaussian log file. I.e. if the calc is run and managed by ECCE it does not show up. This should indicate that the issue lies in parsers/Gaussian-03.expt

Triggering code:

%nprocshared=8
%Mem=800000000
%Chk=plaincctvz.chk
#P rPBE1PBE/GEN 5D 7F  NoSymm  Punch=(MO) Pop=(full) 

plaincctvz

0 1 ! charge and multiplicity
 C     0.00000     0.00000     0.00000
 H     -0.675500     -0.675500     0.675500
 H     0.675500     -0.675500     -0.675500
 H     -0.675500     0.675500     -0.675500
 C     0.889119     0.889119     0.889119
 H     0.213620     1.56462     1.56462
 H     1.56462     1.56462     0.213620
 C     1.77824     0.00000     1.77824
 H     2.45374     -0.675500     1.10274
 H     2.45374     0.675500     2.45374
 H     1.10274     -0.675500     2.45374

 C  H 0 
 cc-pvtz
****

Code that DOES NOT trigger the issue (also using cc-pvtz):

%nprocshared=8
%Mem=800000000
%Chk=plaincctvz.chk
#P rPBE1PBE/GEN 5D 7F  NoSymm  Punch=(MO) Pop=(full) 

plaincctvz

0 1 ! charge and multiplicity
 C     0.00000     0.00000     0.00000
 H     -0.675500     -0.675500     0.675500
 H     0.675500     -0.675500     -0.675500
 H     -0.675500     0.675500     -0.675500
 C     0.889119     0.889119     0.889119
 H     0.213620     1.56462     1.56462
 H     1.56462     1.56462     0.213620
 C     1.77824     0.00000     1.77824
 H     2.45374     -0.675500     1.10274
 H     2.45374     0.675500     2.45374
 H     1.10274     -0.675500     2.45374

 C  0
 S  10  1.00
    8236.00000000      0.00053100
    1235.00000000      0.00410800
     280.80000000      0.02108700
      79.27000000      0.08185300
      25.59000000      0.23481700
       8.99700000      0.43440100
       3.31900000      0.34612900
       0.90590000      0.03937800
       0.36430000     -0.00898300
       0.12850000      0.00238500
 S  10  1.00
    8236.00000000     -0.00011300
    1235.00000000     -0.00087800
     280.80000000     -0.00454000
      79.27000000     -0.01813300
      25.59000000     -0.05576000
       8.99700000     -0.12689500
       3.31900000     -0.17035200
       0.90590000      0.14038200
       0.36430000      0.59868400
       0.12850000      0.39538900
 S   1  1.00
       0.90590000      1.00000000
 S   1  1.00
       0.12850000      1.00000000
 P   5  1.00
      18.71000000      0.01403100
       4.13300000      0.08686600
       1.20000000      0.29021600
       0.38270000      0.50100800
       0.12090000      0.34340600
 P   1  1.00
       0.38270000      1.00000000
 P   1  1.00
       0.12090000      1.00000000
 D   1  1.00
       1.09700000      1.00000000
 D   1  1.00
       0.31800000      1.00000000
 F   1  1.00
       0.76100000      1.00000000
 ****
 H  0
 S   5  1.00
      33.87000000      0.00606800
       5.09500000      0.04530800
       1.15900000      0.20282200
       0.32580000      0.50390300
       0.10270000      0.38342100
 S   1  1.00
       0.32580000      1.00000000
 S   1  1.00
       0.10270000      1.00000000
 P   1  1.00
       1.40700000      1.00000000
 P   1  1.00
       0.38800000      1.00000000
 D   1  1.00
       1.05700000      1.00000000
****

[ohlincha]

Using 6-31G also triggers it if placed at the end:

C H 0
6-31g
****

HOWEVER, this does NOT trigger it:

%nprocshared=8
%Mem=800000000
%Chk=6-31g-1.chk
#P rPBE1PBE/6-31g 6D 10F  NoSymm  Punch=(MO) Pop=(full) 

6-31g-1

0 1 ! charge and multiplicity
 C     0.00000     0.00000     0.00000
 H     -0.675500     -0.675500     0.675500
 H     0.675500     -0.675500     -0.675500
 H     -0.675500     0.675500     -0.675500
 C     0.889119     0.889119     0.889119
 H     0.213620     1.56462     1.56462
 H     1.56462     1.56462     0.213620
 C     1.77824     0.00000     1.77824
 H     2.45374     -0.675500     1.10274
 H     2.45374     0.675500     2.45374
 H     1.10274     -0.675500     2.45374

Same goes for cc-pvtz -- if it's in the route section the bug is NOT triggered!

[ohlincha]

Key probably lies in
diff buggy/g03.g03out works/g03.g03out

>  Leave Link  202 at Fri Jun 30 09:32:35 2017, MaxMem=   800000000 cpu:         0.0
184,188c184
<  General basis read from cards:  (6D, 10F)
<  Centers:       1      5      8      2      3      4      6      7      9     10
<  Centers:      11
<  6-31g
<  ****
---
>  Standard basis: 6-31G (6D, 10F)

[ohlincha]

Gaussian-03.expt:

###############################################################################
# FILENAME:  Gaussian-03.expt
#
#
# SYNTAX: Gaussian-03.expt <outfile>
#
# PURPOSE:
#       Reads a Gaussian-03 output file and generates an ECCE' .frag,
#       .basis, and .param
#
# DESCRIPTION:
#
# LIMITATIONS:
#
###############################################################################

That's pretty clear. The rest of the file isn't -- because it's written in perl. It'd be nice if you could simply drop in python code in lieu of perl (might be worth testing).

Also says

## Base names supported and translations:
##  STO-3G                   *
##  3-21G                    * x ++
##  4-31G
##  6-31G                    ( | ++) x (* | **)) | (3df,3pd) (no +G**)
##  6-311G
##  D95V   -> DUNHAYSV
##  D95    -> DUNNINGDZ
##  LanL2MB
##  LanL2DZ
##  cc-pV*Z
## General Translations:
##  /(d)$/  -> *
##  /(d,p)/ -> **
##