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gromacs: fix fftw and update cmake dependencies (#17226)

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* gromacs: fix fftw dependency

Only depend on fftw+mpi when gromacs is built with mpi,
and depend on fftw~mpi otherwise.

* gromacs: fix cmake dependency

master branch depends on cmake 3.11 (as specified in CMakeLists.txt
cmake dependency is also bumped to 3.11 when fj compilers are used
in order to fix OpenMP detection.
This commit is contained in:
Gilles Gouaillardet
2020-06-24 20:47:55 +09:00
committed by GitHub
parent fe0d3c22c6
commit 577a88880e
1 changed files with 4 additions and 1 deletions
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5
var/spack/repos/builtin/packages/gromacs/package.py
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@@ -73,9 +73,12 @@ class Gromacs(CMakePackage):
depends_on('mpi', when='+mpi')
depends_on('plumed+mpi', when='+plumed+mpi')
depends_on('plumed~mpi', when='+plumed~mpi')
depends_on('fftw')
depends_on('fftw+mpi', when='+mpi')
depends_on('fftw~mpi', when='~mpi')
depends_on('cmake@2.8.8:3.99.99', type='build')
depends_on('cmake@3.4.3:3.99.99', type='build', when='@2018:')
depends_on('cmake@3.13.0:3.99.99', type='build', when='@master')
depends_on('cmake@3.13.0:3.99.99', type='build', when='%fj')
depends_on('cuda', when='+cuda')
# TODO: openmpi constraint; remove when concretizer is fixed