From 72eef17ff965330a69d176359e72f0cc8ca61d58 Mon Sep 17 00:00:00 2001
From: Andras Wacha <awacha@users.noreply.github.com>
Date: Fri, 20 Dec 2019 16:49:35 +0100
Subject: [PATCH] Added hwloc dependency to gromacs (#14244)
---
var/spack/repos/builtin/packages/gromacs/package.py | 7 +++++++
1 file changed, 7 insertions(+)
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py
index 5df4bd907d..095a2ca12e 100644
--- a/var/spack/repos/builtin/packages/gromacs/package.py
+++ b/var/spack/repos/builtin/packages/gromacs/package.py
@@ -70,6 +70,7 @@ class Gromacs(CMakePackage):
' of libgromacs and/or the mdrun program')
variant('openmp', default=True, description='Enables OpenMP at configure time')
variant('double_precision', default=False, description='Enables a double-precision configuration')
+ variant('hwloc', default=True, description='Use the hwloc portable hardware locality library')
depends_on('mpi', when='+mpi')
depends_on('plumed+mpi', when='+plumed+mpi')
@@ -78,6 +79,7 @@ class Gromacs(CMakePackage):
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('cuda', when='+cuda')
+ depends_on('hwloc', when='+hwloc')
patch('gmxDetectCpu-cmake-3.14.patch', when='@2018:2019.3^cmake@3.14.0:')
patch('gmxDetectSimd-cmake-3.14.patch', when='@:2017.99^cmake@3.14.0:')
@@ -99,6 +101,11 @@ def cmake_args(self):
if '~shared' in self.spec:
options.append('-DBUILD_SHARED_LIBS:BOOL=OFF')
+ if '+hwloc' in self.spec:
+ options.append('-DGMX_HWLOC:BOOL=ON')
+ else:
+ options.append('-DGMX_HWLOC:BOOL=OFF')
+
if '+cuda' in self.spec:
options.append('-DGMX_GPU:BOOL=ON')
options.append('-DCUDA_TOOLKIT_ROOT_DIR:STRING=' +
--
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