Tiziano Müller

> > CP2K will build DBCSR via the toolchain > > I'm sorry, I have a very naive question: given that [cp2k is available in Spack](https://spack.readthedocs.io/en/latest/package_list.html#cp2k), > > * in...

> Yes, I agree that Spack is the right way forward. > > > The challenge with the Spack CP2K package is that there does not seem a way to...

> A common use-case I'd expect is a developer who wants to use all dependencies from Spack except for one package, because he/she wants to upgrade that one. Once Spack...

> Given that we all seem to believe that Spack is the way forward, I'm not sure the effort of integrating DBCSR to the toolchain is worth the effort now....

Yes, I still plan to replace it with Spack. Nevertheless, reporting bugs is a good way to figure out what we have to test the new toolchain for.

Wrt plans for Spack: They've introduced a new feature called "Environments" where they can pick up a package configuration (packages to install with defined options) from a working directory without...

> Is there a way to call Spack several times and have it only install a few packages? Then we could make each of these invocations a Docker Layer and...

Not yet unfortunately. When trying to upgrade a toolchain with a942b54 to the latest `master` I see the following in `install/toolchain.env` (build not yet finished): ``` ... declare -x PATH="/users/tiziano/work/cp2k/cp2k/tools/toolchain/install/cmake-3.18.5/bin:/users/tiziano/work/cp2k/cp2k/tools/toolchain/install/cmake-3.18.0/bin:/users/tiziano/.pyenv/shims:/users/tiziano/.pyenv/bin:/data/tiziano/anaconda3/condabin:/users/tiziano/.gem/ruby/2.5.0/bin:/users/tiziano/bin:/users/tiziano/.cargo/bin:/users/tiziano/.local/bin:/sbin:/usr/sbin:/users/tiziano/.poetry/bin:/usr/lib64/mpi/gcc/openmpi3/bin:/users/tiziano/bin:/usr/local/bin:/usr/bin:/bin:/usr/lib/mit/bin:/usr/lib/mit/sbin"...

This means that `en_US.UTF-8` is missing on that system and unrelated to the original issue reported here. Note: some systems have by default the `C.UTF-8` locale instead of the `en_US.UTF-8`...

@Pibemanden can you possibly share your code (just the cp2k interface would be enough) and some more info (e.g. which compiler and Fortran standard you are using)? The f77_interface is...