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new ci workflow #767

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merged 7 commits into from
Sep 19, 2022
Merged

new ci workflow #767

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78ca089
new ci workflow
toxa81 Sep 13, 2022
c9a883c
build with nlcglib
toxa81 Sep 13, 2022
1eee43a
build with clang
toxa81 Sep 13, 2022
422b308
build with clang; disable fortran
toxa81 Sep 13, 2022
a414381
build with clang
toxa81 Sep 14, 2022
092d63f
use old romc container atm; new contaier is taking long time to create
toxa81 Sep 14, 2022
b4f46f6
try new rocm container
toxa81 Sep 15, 2022
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build with nlcglib
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@toxa81
toxa81 committed Sep 13, 2022
commit c9a883cf45269d622778f430f64b9661305a7f35
20 changes: 20 additions & 0 deletions .github/workflows/build.yml
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Expand Up @@ -116,6 +116,26 @@ jobs:
cd ${GITHUB_WORKSPACE}/build
spack --color always -e sirius-build-env build-env $SPEC -- make

build_nlcglib:
runs-on: ubuntu-latest
container: electronicstructure/sirius
env:
SPEC: sirius@develop %gcc +tests +apps +vdwxc +scalapack +fortran +cuda cuda_arch=60 +nlcglib build_type=RelWithDebInfo ^openblas ^mpich ^nlcglib +cuda +wrapper cuda_arch=60 ^kokkos +wrapper cuda_arch=60
steps:
- uses: actions/checkout@v2
- name: Show the spec
run: spack --color always -e sirius-build-env spec -I $SPEC
- name: Configure SIRIUS
run: |
cd ${GITHUB_WORKSPACE}
mkdir build
cd build
spack --color always -e sirius-build-env build-env $SPEC -- cmake .. -DUSE_NLCGLIB=1 -DUSE_SCALAPACK=1 -DUSE_CUDA=1 -DUSE_VDWXC=1 -DBUILD_TESTING=1 -DCREATE_FORTRAN_BINDINGS=1 -DCMAKE_BUILD_TYPE=RelWithDebInfo
- name: Build SIRIUS
run: |
cd ${GITHUB_WORKSPACE}/build
spack --color always -e sirius-build-env build-env $SPEC -- make

# build_rocm:
# runs-on: ubuntu-latest
# container: stabbles/sirius-rocm
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