Update BerkeleyGW dependency version in Octopus package

fangohr / octopus-in-spack

Develop Octopus in spack (software packaging)

BSD 3-Clause "New" or "Revised" License

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Update BerkeleyGW dependency version in Octopus package #101

Closed iamashwin99 closed 8 months ago

iamashwin99 commented 9 months ago

Octopus dropped support for BerkeleyGW 2.1 in version 14. only BerkeleyGW 3 is supported from version 14 see https://gitlab.com/octopus-code/octopus/-/merge_requests/2257 Also note, that BerkeleyGW 2.1 is the last supported version until octopus@14.

This MR adds these constraints.

fangohr commented 8 months ago

Build fails because downloading of BerkeleyGW does not work.

Discussion today:

try BerkeleyGW@3.0.1: this may work because the source is in the global spack cache
report bug for spack BerkeleyGW package

iamashwin99 commented 8 months ago

Updated docker file to use berkeleygw@2.1 for octopus 13 and berkeleygw@3.0.1 for octopus@develop ( as the other versions fail to download see https://github.com/spack/spack/issues/43122)

iamashwin99 commented 8 months ago

Done, I did consider expanding the name before but the line

      spack add octopus@${OCT_VERSION} +mpi +netcdf+parmetis+arpack+cgal+pfft+pnfft+python+likwid+libyaml+elpa+nlopt+etsf-io+sparskit+berkeleygw+nfft~debug~cuda~metis~scalapack ^berkeleygw${BERKELEYGW_VER} && \

gets extremely long. Perhaps a longer name is a better tradeoff of the two options.