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| author | AMD Toolchain Support <73240730+amd-toolchain-support@users.noreply.github.com> | 2023-03-01 15:17:42 +0530 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-03-01 10:47:42 +0100 |
| commit | bedcc5449adb88f208219b9bb99660ac7a485f2c (patch) | |
| tree | e01cd5a9a64e00e85df51adfc3179502cbc54cd7 /var | |
| parent | a1a54fa8b7a14ab4cd5a0fe7a642860ef5e5075e (diff) | |
| download | spack-bedcc5449adb88f208219b9bb99660ac7a485f2c.tar.gz spack-bedcc5449adb88f208219b9bb99660ac7a485f2c.tar.bz2 spack-bedcc5449adb88f208219b9bb99660ac7a485f2c.tar.xz spack-bedcc5449adb88f208219b9bb99660ac7a485f2c.zip | |
quantum-espresso: fix building with aocc (#35612)
Co-authored-by: Tooley, Phil <phil.tooley@amd.com>
Diffstat (limited to 'var')
| -rw-r--r-- | var/spack/repos/builtin/packages/quantum-espresso/configure_aocc.patch | 6 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/quantum-espresso/package.py | 11 |
2 files changed, 12 insertions, 5 deletions
diff --git a/var/spack/repos/builtin/packages/quantum-espresso/configure_aocc.patch b/var/spack/repos/builtin/packages/quantum-espresso/configure_aocc.patch index c6bea9a18b..c7ef8c6312 100644 --- a/var/spack/repos/builtin/packages/quantum-espresso/configure_aocc.patch +++ b/var/spack/repos/builtin/packages/quantum-espresso/configure_aocc.patch @@ -38,7 +38,7 @@ index 66337d1..d2c04af 100755 try_cflags="-O3" ;; +x86_64:* ) -+ try_cflags="-Ofast -Mstack_arrays" ++ try_cflags=" -Mstack_arrays" + try_dflags="-D__OPENMP" + ;; ppc64-bg:* ) @@ -49,9 +49,9 @@ index 66337d1..d2c04af 100755 have_cpp=0 ;; +*:*mpif90 ) -+ try_fflags="-Ofast -Mstack_arrays" ++ try_fflags="-Mstack_arrays" + try_fflags_openmp="-fopenmp" -+ try_f90flags=" \$(FFLAGS) -cpp -Ofast -Mpreprocess -Mstack_arrays" ++ try_f90flags=" \$(FFLAGS) -cpp -Mpreprocess -Mstack_arrays" + try_foxflags="-D__PGI" + try_fflags_noopt="-O0" + try_ldflags="" diff --git a/var/spack/repos/builtin/packages/quantum-espresso/package.py b/var/spack/repos/builtin/packages/quantum-espresso/package.py index 374d4ec3e2..fe53254cf8 100644 --- a/var/spack/repos/builtin/packages/quantum-espresso/package.py +++ b/var/spack/repos/builtin/packages/quantum-espresso/package.py @@ -254,6 +254,13 @@ class QuantumEspresso(CMakePackage, Package): # NOTE: *SOME* third-party patches will require deactivation of # upstream patches using `~patch` variant + # Only CMake will work for @6.8: %aocc + conflicts( + "build_system=generic", when="@6.8: %aocc", msg="Please use CMake to build with AOCC" + ) + + conflicts("~openmp", when="^amdlibflame", msg="amdlibflame requires OpenMP") + # QMCPACK converter patches for QE 6.8, 6.7, 6.4.1, 6.4, and 6.3 conflicts( "@:6.2,6.5:6.6", @@ -362,8 +369,8 @@ class QuantumEspresso(CMakePackage, Package): when="+patch@6.4.1:6.5.0", ) - # Configure updated to work with AOCC compilers - patch("configure_aocc.patch", when="@6.7:6.8 %aocc") + # Patch automake configure for AOCC compilers + patch("configure_aocc.patch", when="@6.7 %aocc") # Configure updated to work with NVIDIA compilers patch("nvhpc.patch", when="@6.5 %nvhpc") |