Merge branch 'develop' into feature/tagging

LLNL · Feb 6, 2024 · 1084a54 · 1084a54
2 parents 8b56a20 + 292adb8
commit 1084a54
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Showing 5 changed files with 893 additions and 1 deletion.
diff --git a/.github/workflows/bin/license b/.github/workflows/bin/license
@@ -24,7 +24,7 @@ licensed_files = [
     r"^configs\/[^\/]*\/[^\/]*",
     r"^docs\/[^\/]*\.rst$",
     r"^experiments\/[^\/]*\/[^\/]*",
-    r"^repo\/[^\/]*\/[^\/]*",
+    r"^repo\/[^\/]*\/[^\/]*(?<!\.patch)$",
 ]
 
 

diff --git a/repo/gromacs/gmxDetectCpu-cmake-3.14.patch b/repo/gromacs/gmxDetectCpu-cmake-3.14.patch
@@ -0,0 +1,12 @@
+--- 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")
+             endif()
+
+-            set(_compile_definitions "${GCC_INLINE_ASM_DEFINE} -I${PROJECT_SOURCE_DIR}/src -DGMX_CPUINFO_STANDALONE ${GMX_STDLIB_CXX_FLAGS} -DGMX_TARGET_X86=${GMX_TARGET_X86_VALUE}")
++            set(_compile_definitions ${GCC_INLINE_ASM_DEFINE} -I${PROJECT_SOURCE_DIR}/src -DGMX_CPUINFO_STANDALONE ${GMX_STDLIB_CXX_FLAGS} -DGMX_TARGET_X86=${GMX_TARGET_X86_VALUE})
+             set(LINK_LIBRARIES "${GMX_STDLIB_LIBRARIES}")
+             try_compile(CPU_DETECTION_COMPILED
+                 "${PROJECT_BINARY_DIR}"
+
diff --git a/repo/gromacs/gmxDetectSimd-cmake-3.14.patch b/repo/gromacs/gmxDetectSimd-cmake-3.14.patch
@@ -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")