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cp2k-2022.1.local.sdbg.patch
cp2k-2022.1.local.sdbg.patch 7.87 KiB
--- tools/toolchain/install/arch/local.sdbg 2022-09-24 20:28:47.000000000 +0300
+++ arch/local.sdbg 2022-09-24 22:11:03.000000000 +0300
@@ -9,11 +9,11 @@
WFLAGS =
#
FCDEBFLAGS =
-CFLAGS = -nofor-main -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -wd279 -I'/root/build/cp2k-2022.1/tools/toolchain/install/openblas-0.3.20/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/fftw-3.3.10/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/libxc-5.2.3/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/libxsmm-1.17/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/COSMA-2.5.1/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/gsl-2.7/include' -I/root/build/cp2k-2022.1/tools/toolchain/install/hdf5-1.12.0/include -I/root/build/cp2k-2022.1/tools/toolchain/install/spglib-1.16.2/include -I'/root/build/cp2k-2022.1/tools/toolchain/install/SpFFT-1.0.6/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/SpLA-1.5.4/include/spla' -std=c11 -Wall -Wextra -Werror -Wno-vla-parameter -Wno-deprecated-declarations $(DFLAGS)
-FCFLAGS = -nofor-main -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -wd279 -I'/root/build/cp2k-2022.1/tools/toolchain/install/openblas-0.3.20/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/fftw-3.3.10/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/libxc-5.2.3/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/libxsmm-1.17/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/COSMA-2.5.1/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/gsl-2.7/include' -I/root/build/cp2k-2022.1/tools/toolchain/install/hdf5-1.12.0/include -I/root/build/cp2k-2022.1/tools/toolchain/install/spglib-1.16.2/include -I'/root/build/cp2k-2022.1/tools/toolchain/install/SpFFT-1.0.6/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/SpLA-1.5.4/include/spla' $(FCDEBFLAGS) $(WFLAGS) $(DFLAGS)
-CXXFLAGS = -O2 -fPIC -fno-omit-frame-pointer -fopenmp -g -march=native -mtune=native --std=c++11 $(DFLAGS) -Wno-deprecated-declarations
+CFLAGS = -nofor-main -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -wd279 -I'/root/build/cp2k-2022.1/tools/toolchain/install/openblas-0.3.20/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/fftw-3.3.10/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/libxc-5.2.3/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/libxsmm-1.17/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/COSMA-2.5.1/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/gsl-2.7/include' -I/root/build/cp2k-2022.1/tools/toolchain/install/hdf5-1.12.0/include -I/root/build/cp2k-2022.1/tools/toolchain/install/spglib-1.16.2/include -I'/root/build/cp2k-2022.1/tools/toolchain/install/SpFFT-1.0.6/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/SpLA-1.5.4/include/spla' -std=c11 -Wall -Wextra -Werror -Wno-vla-parameter -Wno-deprecated-declarations $(DFLAGS) -I/root/build/cp2k-2022.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include -I/opt/software/libint-v2.6.0-cp2k-lmax-5-intel/include
+FCFLAGS = -nofor-main -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -wd279 -I'/root/build/cp2k-2022.1/tools/toolchain/install/openblas-0.3.20/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/fftw-3.3.10/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/libxc-5.2.3/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/libxsmm-1.17/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/COSMA-2.5.1/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/gsl-2.7/include' -I/root/build/cp2k-2022.1/tools/toolchain/install/hdf5-1.12.0/include -I/root/build/cp2k-2022.1/tools/toolchain/install/spglib-1.16.2/include -I'/root/build/cp2k-2022.1/tools/toolchain/install/SpFFT-1.0.6/include' -I'/root/build/cp2k-2022.1/tools/toolchain/install/SpLA-1.5.4/include/spla' $(FCDEBFLAGS) $(WFLAGS) $(DFLAGS) -I/root/build/cp2k-2022.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include -I/opt/software/libint-v2.6.0-cp2k-lmax-5-intel/include
+CXXFLAGS = -O2 -fPIC -fno-omit-frame-pointer -fopenmp -g -march=native -mtune=native --std=c++11 $(DFLAGS) -Wno-deprecated-declarations -I/root/build/cp2k-2022.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include -I/opt/software/libint-v2.6.0-cp2k-lmax-5-intel/include
#
-LDFLAGS = $(FCFLAGS) -Wl,--enable-new-dtags -L'/root/build/cp2k-2022.1/tools/toolchain/install/openblas-0.3.20/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/openblas-0.3.20/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/fftw-3.3.10/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/fftw-3.3.10/lib' -L'/opt/software/libint-v2.6.0-cp2k-lmax-5-intel/lib' -Wl,-rpath='/opt/software/libint-v2.6.0-cp2k-lmax-5-intel/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/libxc-5.2.3/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/libxc-5.2.3/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/libxsmm-1.17/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/libxsmm-1.17/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/COSMA-2.5.1/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/COSMA-2.5.1/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/gsl-2.7/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/gsl-2.7/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/hdf5-1.12.0/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/hdf5-1.12.0/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/spglib-1.16.2/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/spglib-1.16.2/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/libvori-220621/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/libvori-220621/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/SpFFT-1.0.6/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/SpFFT-1.0.6/lib'
+LDFLAGS = $(FCFLAGS) -Wl,--enable-new-dtags -L'/root/build/cp2k-2022.1/tools/toolchain/install/openblas-0.3.20/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/openblas-0.3.20/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/fftw-3.3.10/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/fftw-3.3.10/lib' -L'/opt/software/libint-v2.6.0-cp2k-lmax-5-intel/lib' -Wl,-rpath='/opt/software/libint-v2.6.0-cp2k-lmax-5-intel/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/libxc-5.2.3/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/libxc-5.2.3/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/libxsmm-1.17/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/libxsmm-1.17/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/COSMA-2.5.1/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/COSMA-2.5.1/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/gsl-2.7/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/gsl-2.7/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/hdf5-1.12.0/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/hdf5-1.12.0/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/spglib-1.16.2/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/spglib-1.16.2/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/libvori-220621/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/libvori-220621/lib' -L'/root/build/cp2k-2022.1/tools/toolchain/install/SpFFT-1.0.6/lib' -Wl,-rpath='/root/build/cp2k-2022.1/tools/toolchain/install/SpFFT-1.0.6/lib' -L/root/build/cp2k-2022.1/tools/toolchain/install/SpLA-1.5.4/lib/
LIBS = -lsymspg -lxsmmf -lxsmm -ldl -lpthread -lxcf03 -lxc -lint2 -lfftw3 -lfftw3_omp -lopenblas -lvori -lstdc++ -lstdc++
#
FYPPFLAGS = -n --line-marker-format=gfortran5