[dft-dev-pe] Error building the stack

[Anton Kozhevnikov]

First attmpt to build the compilers.yaml

compilers:
  bootstrap:
    specs:
    - gcc@11
  gcc:
    specs:
    - gcc@11
  llvm:
    requires: gcc@11
    specs:
    - nvhpc@22.11
    - llvm@14

and packages.yaml

packages:
    gcc-env:
      compiler:
          toolchain: gcc
          spec: gcc@11
      unify: true
      specs:
      - cuda@11.8
      - py-mpi4py
      - python@3.10
      - py-numpy
      - py-pybind11
      - py-pip
      - cmake
      - intel-oneapi-mkl
      mpi:
          spec: cray-mpich-binary
          gpu: Null
    nvhpc-env:
      compiler:
          toolchain: gcc
          spec: nvhpc@22.11
      unify: true
      specs:
      - libxc
      mpi:
          spec: cray-mpich-binary
          gpu: Null

fails with the error

spack -e nvhpc-env/ concretize -f
==> Error: Detected 1 missing include path(s):
/scratch/e1000/antonk/dft-dev-pe/packages/nvhpc-env/compilers.yaml
Makefile:35: gcc-env/Makefile: No such file or directory
make[1]: *** [../Make.inc:20: nvhpc-env/spack.lock] Error 1
make[1]: *** Waiting for unfinished jobs....

[Anton Kozhevnikov]

the file dft-dev-pe/packages/nvhpc-env/compilers.yaml wasn't created

[Ben Cumming]

The problem is in packages.yaml

      compiler:
          toolchain: gcc
          spec: nvhpc@22.11

The toolchain should be llvm.
This is a problem with sstool, because it should report a better error message.