Specify versions of all the dependncies used in the CI - Githubissues

fangohr / octopus-in-spack

Develop Octopus in spack (software packaging)

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

3 stars 4 forks source link

Specify versions of all the dependncies used in the CI #75

Closed iamashwin99 closed 1 year ago

iamashwin99 commented 1 year ago

It might be a good idea to fully specify the versions of the dependencies we use in our CI. for eg :

octopus@12.1%gcc@11.3.0+mpi+netcdf+parmetis+arpack+cgal+pfft+python+likwid+libyaml+elpa+nlopt \
   ^parmetis@4.0.3 \
   ^cgal@5.0.3 \
   ^pfft@1.0.8-alpha \
   ^elpa@2021.11.001 \
   ^nlopt@2.7.0 \
   ^openmpi@4.1.4\
   ^netlib-scalapack@2.1.0 \
   ^fftw@3.3.10+openmp \
   ^hdf5@1.12.2+fortran

It shows users which verions of which depency is tested and expected to work,
We can mimic the versions of dependencies from easybuild toolchains for comparision.
Latest versions of some package might not be caches in the spack mirrors ( like libxc6 for eg ) and when their sources disappear (due to website outage for eg ) we will still be able to use the spack mirror ( for eg. libxc@5.2.3 is cached )

fangohr commented 1 year ago

Not sure. The link to easybuild toolchains is an MPSD-Octopus-team specific view.

The purpose of this repo is to provide Octopus through spack for everybody. For everybody, we should see if the compilation works with the versions that spack considers best at the time.