Cannot compile the current version of Bagel

[bzhang25]

I am having trouble compiling the current version of Bagel pulled from GitHub.

This is the error I get:

/bin/sh ../../libtool  --tag=CXX   --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../..    -I../.. -mkl -std=c++11 -MT get_energy.lo -MD -MP -MF .deps/get_energy.Tpo -c -o get_energy.lo get_energy.cc
libtool: compile:  mpicxx -DHAVE_CONFIG_H -I. -I../.. -I../.. -mkl -std=c++11 -MT get_energy.lo -MD -MP -MF .deps/get_energy.Tpo -c get_energy.cc  -fPIC -DPIC -o .libs/get_energy.o
get_energy.cc(81): error: class "bagel::Smith" has no member "algo"
      else if (title == "smith")   { auto m = make_shared<Smith>(itree, geom, ref);     m->compute();   out = m->algo()->energy(target);   ref = m->conv_to_ref(); }
                                                                                                                 ^

get_energy.cc(82): error: class "bagel::RelSmith" has no member "algo"
      else if (title == "relsmith"){ auto m = make_shared<RelSmith>(itree, geom, ref);  m->compute();   out = m->algo()->energy(target);   ref = m->conv_to_ref(); }
                                                                                                                 ^

compilation aborted for get_energy.cc (code 2)
make[3]: *** [get_energy.lo] Error 1
make[3]: Leaving directory `/home/vulcan/vadmin/programs/bagel/bagel_1/src/wfn'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/vulcan/vadmin/programs/bagel/bagel_1/src'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/home/vulcan/vadmin/programs/bagel/bagel_1'
make: *** [all] Error 2

Do you have suggestions for how I can fix this problem?

Thank you!

[shiozaki]

Boyi, can you do

cd /home/vulcan/vadmin/programs/bagel/bagel_1/
autoreconf

and then compile again? Sorry, this is due to the change of configure flags. Now, you don't have to specify --enable-smith as it is automatically added, but this change might have confused your build.

Also, if your input has "nact_cas", replace them with "nact". See all the options at nubakery.org.

[shiozaki]

FYI: http://nubakery.org/quickstart/installation_guide.html#build-bagel

[bzhang25]

That seems to have fixed the issue. Thank you!