[Debichem-devel] espresso updated to v6.3

[Michael Banck]

Hi,

On Thu, Aug 23, 2018 at 10:04:45AM +0300, Andrius Merkys wrote:
> I have updated the Debian package for espresso to the latest upstream
> release (6.3), at the same time bumping debhelper and policy versions.
> 5 tests out of 184 fail seemingly due to problems with reading
> pseudopotential files (mostly O.pz-rrkjus.UPF). I have reported this
> issue to the upstream (https://gitlab.com/QEF/q-e/issues/56). Please
> review the package and let me know should you spot other deficiencies.

I've test-built it in an unstable chroot and got this failure:

|ranlib libpw.a
|mpif90 -Wl,-z,relro -o pw.x \
|   pwscf.o  libpw.a ../../Modules/libqemod.a
|  ../../KS_Solvers/Davidson/libdavid.a ../../KS_Solvers/CG/libcg.a
|  ../../FFTXlib/libqefft.a ../../LAXlib/libqela.a ../../UtilXlib/libutil.a
|  ../../dft-d3/libdftd3qe.a /<<PKGBUILDDIR>>//clib/clib.a
|  /<<PKGBUILDDIR>>//iotk/src/libiotk.a  -lelpa -lscalapack-openmpi
|  -lblacs-openmpi -lblacsF77init-openmpi -llapack  -lblas
|  -L/<<PKGBUILDDIR>>//FoX/lib  -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common
|  -lFoX_utils -lFoX_fsys  -lfftw3  -lblas     
|/usr/bin/ld: cannot find -lblacs-openmpi
|/usr/bin/ld: cannot find -lblacsF77init-openmpi
|collect2: error: ld returned 1 exit status
|make[4]: *** [Makefile:257: pw.x] Error 1
|make[4]: Leaving directory '/<<PKGBUILDDIR>>/PW/src'
|make[3]: *** [Makefile:9: pw] Error 1

Did you see that as well, or is this a new issue?


Michael