* fix remaining flake8 errors
* imports: sort imports everywhere in Spack
We enabled import order checking in #23947, but fixing things manually drives
people crazy. This used `spack style --fix --all` from #24071 to automatically
sort everything in Spack so PR submitters won't have to deal with it.
This should go in after #24071, as it assumes we're using `isort`, not
`flake8-import-order` to order things. `isort` seems to be more flexible and
allows `llnl` mports to be in their own group before `spack` ones, so this
seems like a good switch.
- [x] add `concretize.lp`, `spack.yaml`, etc. to licensed files
- [x] update all licensed files to say 2013-2021 using
`spack license update-copyright-year`
- [x] appease mypy with some additions to package.py that needed
for oneapi.py
* cp2k: locate correct include dir when using intel-parallel-studio+mkl for fftw-api
* libxc: drop arch-specific intel opt. flags
fixes#17794
* libint: drop arch-specific intel opt. flags, always build Fortran example with FC
fixes#17509
* libint: switch to 2-stage build for 2.6.0+
* libint: add tune and fortran variants
* cp2k: add support for libint >= 2.0
* cp2k: use pkg-config for linking libxc
* cp2k: archive the Makefile after a successful installation
* cp2k: all checksums are now sha256
* libint: all checksums are now sha256 + added versions 2.4.X
* libxc: all checksums are now sha256 + added version 4.3.2
* cp2k: os.path.join instead of join_path + simplified openmp flags
* cp2k: turned into a MakefilePackage
* cp2k: refactored edit method so that Makefile writing happens last
- remove the old LGPL license headers from all files in Spack
- add SPDX headers to all files
- core and most packages are (Apache-2.0 OR MIT)
- a very small number of remaining packages are LGPL-2.1-only
* Promote to Autotools for simplicity; broaden Intel CPU opt targeting from SSE4.2 to AVX2
* make Intel CPU opt targeting same as in ../libxc
* flake8 W291
* use canonical means to pass (ahem) the test phase, h/t @adamjstewart
* revert f25d598 (unrelated merge)
* re-merge
* Initial work on flag trapping using functions called <flag>_handler and default_flag_handler
* Update packages so they do not obliterate flags
* Added append to EnvironmentModifications class
* changed EnvironmentModifications to have append_flags method
* changed flag_val to be a tuple
* Increased test coverage
* added documentation of flag handling
* libint: updated version, ported to AutotoolsPackage
* elpa: updated version, ported to AutotoolsPackage
* wannier90: updated version, ported to MakefilePackage
* pexsi: updated version, ported to MakefilePackage
* cp2k: updated version, removed wannier 90 from dependencies if cp2k@4.1
* plumed: updated version
Modifications:
* modules has been turned into a single variant, as different versions
have different modules available
* added dictionaries for patches
* netlib-scalapack: ported to CMakePackage
* Add libint package
* Add Intel optimization flags recommended by CP2K
* Add new version and Intel compiler optimization flags for libxc
* Add older version of libint
* Libint depends on GMP C++ library
