2021-rc.1: some test fail on i586

[junghans]

Related to #651 , using a patch from Debian I was able to make libint2 works on 32-bits, now some of our tests fail:

[ 2900s] The following tests FAILED:
[ 2900s] 	  7 - unit_test_aomatrix (Failed)
[ 2900s] 	 23 - unit_test_eris (Failed)
[ 2900s] 	 35 - unit_test_ppm (Failed)
[ 2900s] 	 43 - unit_test_aoshell (Failed)
[ 2900s] 	 68 - unit_test_dftengine (Failed)
[ 2900s] 	 69 - unit_test_bsecoupling (Failed)

Details here

[JensWehner]

did libint pass all of its own tests?

[JensWehner]

My guess and checking all the tests is that the kinetic integral from libint does not work correctly. Maybe more, but that at least accounts for aomatrix, ppm and dftengine. The rest I do not get at the moment. As a first start we should see if libint passes its own tests.

[JensWehner]

I am not sure if it is sensible to still support 32bit. The only reason this is still interesting, is because it can discover potential bugs in our stuff.

[junghans]

I am running the test suite right now.

[junghans]

The test suite doesn't even work on x86_64:

make[1]: *** No rule to make target '-lint2', needed by 'test'.  Stop.
[22679s] make[1]: Leaving directory '/home/abuild/rpmbuild/BUILD/libint-2.6.0/tests/eri'
[22679s] make: *** [Makefile:107: check] Error 1

[JensWehner]

hmmmm

[junghans]

My guess and checking all the tests is that the kinetic integral from libint does not work correctly. Maybe more, but that at least accounts for aomatrix, ppm and dftengine. The rest I do not get at the moment. As a first start we should see if libint passes its own tests.

@mbanck, it seems libint2 is not giving the right results on i586.

[JensWehner]

Which is not surprising the designers of libint specifically said not to support 32-bit.

[junghans]

@susilehtola did you ever test the 32-bit libint2 packages on Fedora?

[mbanck]

The CP2K folks seem

My guess and checking all the tests is that the kinetic integral from libint does not work correctly. Maybe more, but that at least accounts for aomatrix, ppm and dftengine. The rest I do not get at the moment. As a first start we should see if libint passes its own tests.

@mbanck, it seems libint2 is not giving the right results on i586.

What are the failures that you get?

[mbanck]

See evaleev/libint#196 (comment) for some analysis. To add to that, the other tests (unit tests and hf) also pass, I had to rebuild with eigen3 support to run those.

[susilehtola]

@susilehtola did you ever test the 32-bit libint2 packages on Fedora?

I'm not sure I've properly tested any of them, since there haven't been any programs using the library. The Fedora packages are also quite old; I'm waiting on a new stable release. Also, unlike libint v1, libint v2 can be compiled in several API incompatible ways due to the possible function orderings, which makes life hard....

[junghans]

Due libint not supporting 32-bit, we dropped support for 32-bit as well.