spack/var/spack
Daniel Ahlin 49fe67572e
gromacs: Intel oneapi 2023 fixes (#36555)
* gromacs: oneapi@2023 - g++-dependency and MKL path

Fixes to build with oneapi@2023 and MKL 2023.
* Depend on gcc and add GMX_GPLUSPLUS_PATH to it
* MKL seems to be picked up without explicit directives
  and the old directives fails (at least for my tests) with MKL
  2023.

* gromacs: oneapi@2023 fix - address style errors

* gromacs: add danielahlin as maintainer

Adding danielahlin as maintainer as discussed in https://github.com/spack/spack/pull/36555#issuecomment-1496224128 and https://github.com/spack/spack/pull/36555#issuecomment-1504682712

* Update package.py

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Co-authored-by: Christoph Junghans <christoph.junghans@gmail.com>
Co-authored-by: Christoph Junghans <junghans@lanl.gov>
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-04-12 19:19:42 -06:00
..
gpg
gpg.mock
repos gromacs: Intel oneapi 2023 fixes (#36555) 2023-04-12 19:19:42 -06:00