spack/share
Harmen Stoppels 4bade7ef96
gromacs +cp2k: build in CI (#40494)
* gromacs +cp2k: build in CI

* libxsmm: x86 only

* attempt to fix dbcsr + new mpich

* use c11 standard

* gromacs: does not depend on dbcsr

* cp2k: build with cmake in CI, s.t. dbcsr is a separate package

* cp2k: cmake patches for config files and C/C++ std

* cp2k: remove unnecessary constraints due to patch
2023-10-20 16:20:20 +02:00
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spack gromacs +cp2k: build in CI (#40494) 2023-10-20 16:20:20 +02:00