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authorMarty Kandes <mkandes@sdsc.edu>2020-10-23 16:58:13 -0700
committerGitHub <noreply@github.com>2020-10-23 18:58:13 -0500
commit4cf85ed5f715fc93fe88cabeed08f8dc94fc8e68 (patch)
treee9b768d5770f3f300cd50227ab156a51199b8285
parent978d8ad0af3958f74b5c61e8cc4fa22c3ff0d622 (diff)
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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.py2
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:')