zhangyiss/spack
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

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

Browse Source 
* 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
No known key found for this signature in database
GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 4 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

5
var/spack/repos/builtin/packages/gromacs/package.py
View File

@ -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