From 577a88880ed63b832bc2b463cf0c5d5e36acd2c0 Mon Sep 17 00:00:00 2001
From: Gilles Gouaillardet <ggouaillardet@users.noreply.github.com>
Date: Wed, 24 Jun 2020 20:47:55 +0900
Subject: [PATCH] gromacs: fix fftw and update cmake dependencies (#17226)
* 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.
---
var/spack/repos/builtin/packages/gromacs/package.py | 5 ++++-
1 file changed, 4 insertions(+), 1 deletion(-)
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py
index 1aec480723..31b5d701fe 100644
--- a/var/spack/repos/builtin/packages/gromacs/package.py
+++ b/var/spack/repos/builtin/packages/gromacs/package.py
@@ -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
--
GitLab