Skip to content

Commit e38b615

Browse files
committed
Add Fortran example
1 parent a0b69d7 commit e38b615

16 files changed

Lines changed: 1094 additions & 9 deletions

File tree

.github/workflows/examples.yml

Lines changed: 5 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -17,7 +17,7 @@ jobs:
1717
matrix:
1818
toolchain: ["openmp", "mpi"]
1919
gauxc: ["release", "main"]
20-
example: ["cpp/gauxc_integration", "c/gauxc_integration"]
20+
example: ["cpp", "c", "fortran"]
2121

2222
steps:
2323
- uses: actions/checkout@v4
@@ -27,7 +27,7 @@ jobs:
2727
- name: Setup micromamba
2828
uses: mamba-org/setup-micromamba@v1
2929
with:
30-
environment-file: skala/examples/cpp/gauxc_integration/environment-${{ matrix.toolchain }}.yml
30+
environment-file: skala/examples/${{ matrix.example }}/gauxc_integration/environment-${{ matrix.toolchain }}.yml
3131
environment-name: gauxc-dev
3232
cache-environment: true
3333
cache-downloads: true
@@ -49,7 +49,8 @@ jobs:
4949
-DGAUXC_ENABLE_MPI=${{ matrix.toolchain == 'mpi' }}
5050
-DGAUXC_ENABLE_CUDA=${{ matrix.toolchain == 'cuda' }}
5151
-DGAUXC_ENABLE_ONEDFT=ON
52-
-DGAUXC_ENABLE_C=ON
52+
-DGAUXC_ENABLE_C=${{ matrix.example == 'c' || matrix.example == 'fortran' }}
53+
-DGAUXC_ENABLE_FORTRAN=${{ matrix.example == 'fortran' }}
5354
-DBUILD_SHARED_LIBS=ON
5455
-DCMAKE_INSTALL_PREFIX=$CONDA_PREFIX
5556
shell: micromamba-shell {0}
@@ -68,7 +69,7 @@ jobs:
6869
run: >-
6970
cmake
7071
-B build_example
71-
-S skala/examples/${{ matrix.example }}
72+
-S skala/examples/${{ matrix.example }}/gauxc_integration
7273
-G Ninja
7374
-DSkala_GauXC_ENABLE_OPENMP=${{ matrix.toolchain == 'openmp' }}
7475
-DSkala_GauXC_ENABLE_MPI=${{ matrix.toolchain == 'mpi' }}

0 commit comments

Comments
 (0)