* 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
* openblas: enable parallel builds
* cp2k: enable parallel builds
* cp2k: fix building on multilib/Suse distros
use the actual directory path where files where installed to instead of
the default prefix+'/lib'
* cp2k: ensure we have a non-header-only libxsmm
* openblas: disable max num CPU detection on virtualized build
* cp2k: install data and set compiled-in DATA_DIR
* cp2k: make libxc an optional dependency (enabled by default)
* cp2k: link libint statically
* cp2k: declare statically linked library deps as type=build
* cp2k: add support for PGI compiler
* cp2k: rename smm=none to smm=blas for clarification
* cp2k: blacklist unsupported compilers
* cp2k: mark wannier90 a build-time dep since statically linked
* cp2k: make pexsi and elpa optional
* cp2k: add support for v6.1
* libxc: add version 4.2.3
* cp2k: use pkg-config to link properly to libxsmm
* cp2k: fix OpenMP support by making it explicit
Previously, CP2K accepted threaded ELPA or BLAS, leading to #(CPU) processes
being spawned even though no explicit OpenMP was requested. Now the
`popt` variant should truly be thread free while the `psmp` variant uses
threads also internally.
* cp2k: source tarballs moved to GitHub
- 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
* First version of Abinit package
* Ignore *.swp files
* Add libxc, etsf_io packages
* AtomPaw package
* Make Abinit depend on mpi@2: and external version of libxc, netcdf, hdf5, etsf_io
* etsf_io: install Fortran modules in prefix.include
* Remove etsf_io from abinit requirements
* Add libxc2.2.1 (required by Abinit and atompaw)
* Cleanup
* Run make check
* Cleanup
* Use ld_flags instead of hard-coded libs, fix pep8, add copyright
* Put scalapack before lapackblas
* 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
