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| author | Marty Kandes <mkandes@sdsc.edu> | 2020-10-23 16:58:13 -0700 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2020-10-23 18:58:13 -0500 |
| commit | 4cf85ed5f715fc93fe88cabeed08f8dc94fc8e68 (patch) | |
| tree | e9b768d5770f3f300cd50227ab156a51199b8285 | |
| parent | 978d8ad0af3958f74b5c61e8cc4fa22c3ff0d622 (diff) | |
| download | spack-4cf85ed5f715fc93fe88cabeed08f8dc94fc8e68.tar.gz spack-4cf85ed5f715fc93fe88cabeed08f8dc94fc8e68.tar.bz2 spack-4cf85ed5f715fc93fe88cabeed08f8dc94fc8e68.tar.xz spack-4cf85ed5f715fc93fe88cabeed08f8dc94fc8e68.zip | |
Fix GROMACS to require FFTW when using cuda (#19505)
GROMACS still requires a version of FFTW when compiling it to utilize
NVIDIA GPUs. In fact, the type of calculation that depends on FFTW --
Particle-Mesh Ewald (PME) -- is generally run on the host system's CPUs,
even when GPUs are available.
| -rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index bd6649aca1..d33d0cdaf1 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -90,7 +90,7 @@ class Gromacs(CMakePackage): depends_on('plumed@2.5.0:2.5.9~mpi', when='@2018.6+plumed~mpi') depends_on('plumed+mpi', when='+plumed+mpi') depends_on('plumed~mpi', when='+plumed~mpi') - depends_on('fftw-api@3', when='~cuda') + depends_on('fftw-api@3') depends_on('mkl', when='fft=mkl') depends_on('cmake@2.8.8:3.99.99', type='build') depends_on('cmake@3.4.3:3.99.99', type='build', when='@2018:') |