diff options
| author | Taillefumier Mathieu <29380261+mtaillefumier@users.noreply.github.com> | 2023-07-10 14:02:52 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-07-10 14:02:52 +0200 |
| commit | 64c6d63675f8e45e0be12a9c55acb4b7969e383a (patch) | |
| tree | 4df941e88510fbfeab23eaaa6b554db8015a1775 /bin/spack_pwsh.ps1 | |
| parent | 0ed6ff38230a8625af27d1ab01ac9961a2ca33d9 (diff) | |
| download | spack-64c6d63675f8e45e0be12a9c55acb4b7969e383a.tar.gz spack-64c6d63675f8e45e0be12a9c55acb4b7969e383a.tar.bz2 spack-64c6d63675f8e45e0be12a9c55acb4b7969e383a.tar.xz spack-64c6d63675f8e45e0be12a9c55acb4b7969e383a.zip | |
Update cp2k recipe to use cmake or the current build system (#35718)
* Update cp2k recipe to use cmake or the current build system
Offers the possibility to build cp2k with the new cmake build system. commands like this are now supported
spack install cp2k@master build_system=cmake +.....
the recipe supports the following optional functionalities
- superlu, cosma, sirius, spglib, metis, spglib, libxc, libint, cuda/rocm, mkl/openblas/sci (and others), mpi, openmp, dbcsr
- dbcsr is built separately using the currently available recipe.
Two PRs need to be merged to be fully functional (cosma update in spack + one PR in cp2k github).
* Fix indentation
* Fix indentation
* Update libvori
* More typos
* Simplify BLAS/LAPACK
* Simplify BLAS/LAPACK
* Add A100 gpu value
* Fix typo
* Add the enable_regtests option
if -DCP2K_ENABLE_REGTESTS=ON (+enable_regtests with spack) then the location of the binary executables will be in the cp2k root directory under exe/build-cmake-*. This option is needed to run the regtests afterwards.
* Minor update
* more fixes
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* small changes
* Remove any reference to nvidia architecture in the rocm list
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Final reformating
* Update py-fypp
---------
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
Diffstat (limited to 'bin/spack_pwsh.ps1')
0 files changed, 0 insertions, 0 deletions