@@ -121,6 +121,7 @@ def parse_input():
121
121
default = False ,
122
122
help = 'enable SGI MPT [default: %(default)s]' )
123
123
group .add_argument ('--omp' ,
124
+ # at present, there's no way to turn this off. recc switch to on/off
124
125
action = 'store_true' ,
125
126
default = True ,
126
127
help = 'enable OpenMP [default: %(default)s]' )
@@ -260,36 +261,39 @@ def parse_input():
260
261
group = parser .add_argument_group ('External quantum chemistry libraries' )
261
262
# ERD package
262
263
group .add_argument ('--erd' ,
263
- action = 'store_true' ,
264
- default = False ,
264
+ action = 'store' ,
265
+ choices = ('on' , 'off' ),
266
+ default = 'off' ,
265
267
help = 'Add support for the ERD integral package [default: %(default)s]' )
266
268
#JK_Factory
267
269
group .add_argument ('--jkfactory' ,
268
- action = 'store_true' ,
269
- default = False ,
270
+ action = 'store' ,
271
+ choices = ('on' , 'off' ),
272
+ default = 'off' ,
270
273
help = 'enable distributed J and K builds [default: %(default)s]' )
271
274
# GPU_DFCC package
272
275
group .add_argument ('--gpu-dfcc' ,
273
- action = 'store_true' ,
274
- default = False ,
276
+ action = 'store' ,
277
+ choices = ('on' , 'off' ),
278
+ default = 'off' ,
275
279
help = 'Enable GPU_DFCC external project [default: %(default)s]' )
276
280
# Dummy plugin
277
281
group .add_argument ('--dummy-plugin' ,
278
- action = 'store_true' ,
279
- default = False ,
282
+ action = 'store' ,
283
+ choices = ('on' , 'off' ),
284
+ default = 'off' ,
280
285
help = 'Enable dummy plugin external project [default: %(default)s]' )
281
286
# PCMSolver package
282
287
group .add_argument ('--pcmsolver' ,
283
- action = 'store_true' ,
284
- default = False ,
288
+ action = 'store' ,
289
+ choices = ('on' , 'off' ),
290
+ default = 'off' ,
285
291
help = 'Enable PCMSolver [default: %(default)s]' )
286
292
# CheMPS2 package
287
293
group .add_argument ('--chemps2' ,
288
- action = 'store_false' ,
289
- default = True ,
290
- #action='store',
291
- #choices=('on', 'off'),
292
- #default='on',
294
+ action = 'store' ,
295
+ choices = ('on' , 'off' ),
296
+ default = 'on' ,
293
297
help = 'Enable CheMPS2 external project [default: %(default)s]' )
294
298
group .add_argument ('--chemps2-dir' ,
295
299
action = 'store' ,
@@ -489,7 +493,7 @@ def gen_cmake_command(args):
489
493
command += ' -DZLIB_ROOT={0}' .format (args .zlib_dir )
490
494
491
495
if args .gsl_dir :
492
- command += ' -DGSL_ROOT ={0}' .format (args .gsl_dir )
496
+ command += ' -DGSL_ROOT_DIR ={0}' .format (args .gsl_dir )
493
497
494
498
if args .hdf5_dir :
495
499
command += ' -DHDF5_ROOT={0}' .format (args .hdf5_dir )
0 commit comments