diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index 62a09eb90..acb0583b7 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -100,6 +100,12 @@ jobs: run: | qcore --accept-license + - name: Special Config - QCElemental Dep + if: (matrix.cfg.label == 'ADCC') + run: | + conda remove qcelemental --force + python -m pip install qcelemental>=0.26.0 --no-deps + # note: conda remove --force, not mamba remove --force b/c https://github.com/mamba-org/mamba/issues/412 # alt. is micromamba but not yet ready for setup-miniconda https://github.com/conda-incubator/setup-miniconda/issues/75 - name: Special Config - QCEngine Dep diff --git a/devtools/conda-envs/adcc.yaml b/devtools/conda-envs/adcc.yaml index 60389d811..133d30bb0 100644 --- a/devtools/conda-envs/adcc.yaml +++ b/devtools/conda-envs/adcc.yaml @@ -1,20 +1,17 @@ name: test channels: #- adcc - - psi4/label/dev - conda-forge - - defaults + - nodefaults dependencies: - - conda-forge::adcc>=0.15.7 - - psi4 - - blas=*=mkl # not needed but an example of disuading solver from openblas and old psi + - adcc>=0.15.7 + - psi4>=1.8.1 # Core - python - - pyyaml - py-cpuinfo - psutil - - qcelemental >=0.26.0 + - qcelemental >=0.24.0 - pydantic>=2 - msgpack-python