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package/gromacs: simd optimizations autodetection for more versions (#12402)

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* gromacs: fix simd detection for pre 2018 versions

* pre 2018 the cmake file was named differently
* fixed up post 2018 patch file which was non pretty

* Trim patch
This commit is contained in:
Ricardo Silva
2019-08-14 02:21:59 +02:00
committed by Adam J. Stewart
parent 5429713eef
commit 5116312ca2
3 changed files with 14 additions and 2 deletions
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2
var/spack/repos/builtin/packages/gromacs/gmxDetectCpu-cmake-3.14.patch
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@@ -1,4 +1,4 @@
/cmake/gmxDetectCpu.cmake
--- a/cmake/gmxDetectCpu.cmake
+++ b/cmake/gmxDetectCpu.cmake
@@ -83,7 +83,7 @@ function(gmx_run_cpu_detection TYPE)
set(GCC_INLINE_ASM_DEFINE "-DGMX_X86_GCC_INLINE_ASM=0")

11
var/spack/repos/builtin/packages/gromacs/gmxDetectSimd-cmake-3.14.patch Normal file
View File

@@ -0,0 +1,11 @@
--- a/cmake/gmxDetectSimd.cmake
+++ b/cmake/gmxDetectSimd.cmake
@@ -77,7 +77,7 @@ function(gmx_suggest_simd _suggested_simd)
else()
set(GMX_TARGET_X86_VALUE 0)
endif()
- set(_compile_definitions "${GCC_INLINE_ASM_DEFINE} -I${CMAKE_SOURCE_DIR}/src -DGMX_CPUINFO_STANDALONE ${GMX_STDLIB_CXX_FLAGS} -DGMX_TARGET_X86=${GMX_TARGET_X86_VALUE}")
+ set(_compile_definitions ${GCC_INLINE_ASM_DEFINE} -I${CMAKE_SOURCE_DIR}/src -DGMX_CPUINFO_STANDALONE ${GMX_STDLIB_CXX_FLAGS} -DGMX_TARGET_X86=${GMX_TARGET_X86_VALUE})
# Prepare a default suggestion
set(OUTPUT_SIMD "None")

3
var/spack/repos/builtin/packages/gromacs/package.py
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@@ -74,7 +74,8 @@ class Gromacs(CMakePackage):
depends_on('cmake@3.4.3:3.99.99', type='build', when='@2018:')
depends_on('cuda', when='+cuda')
patch('gmxDetectCpu-cmake-3.14.patch', when='^cmake@3.14.0:')
patch('gmxDetectCpu-cmake-3.14.patch', when='@2018:^cmake@3.14.0:')
patch('gmxDetectSimd-cmake-3.14.patch', when='@:2017.99^cmake@3.14.0:')
def patch(self):
if '+plumed' in self.spec: