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Merge pull request #1278 from edoapra/aocc60
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updates
This commit is contained in:
commit
11abfe35fb
3 changed files with 6 additions and 4 deletions
2
.github/workflows/docker_actions.yml
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2
.github/workflows/docker_actions.yml
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@ -28,7 +28,7 @@ jobs:
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fetch-depth: 5
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- name: Setup cache
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id: setup-cache
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uses: actions/cache@v5
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uses: actions/cache@v6
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with:
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path: |
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~/cache
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2
.github/workflows/github_actions.yml
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.github/workflows/github_actions.yml
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@ -478,7 +478,7 @@ jobs:
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shell: bash
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- name: Setup cache
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id: setup-cache
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uses: actions/cache@v5
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uses: actions/cache@v6
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with:
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path: |
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~/cache
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@ -3,8 +3,10 @@
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include ../../config/makefile.h
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OBJ_OPTIMIZE = nwc_sym_mod.o \
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dft_aoints.o wrt_dft_aoints.o int_1e_sifs.o \
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MAKEFLAGS = -j 1 --no-print-directory
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OBJ = nwc_sym_mod.o
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OBJ_OPTIMIZE = \
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dft_aoints.o wrt_dft_aoints.o int_1e_sifs.o \
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int_so_sifs.o int_2e_sifs.o int_2e_sifs_a.o \
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sifs_2e_task.o int_2e_sifs_b.o nadct_trace.o \
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rdhcid.o egrad_trace.o rd1mat.o sif2ga.o \
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