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Update CI PSI4 install (#1266)
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* Update CI PSI4 install

* Switch windows to conda-forge

* Switch install as given by psicode.org

* Comment openmp install for Mac to see

* Comment openmp install for Mac to see

* Remove platform if's as all same now
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woodsp-ibm authored Nov 3, 2023
1 parent 1e17843 commit 0ec0930
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Showing 2 changed files with 8 additions and 25 deletions.
18 changes: 2 additions & 16 deletions .github/actions/install-psi4/action.yml
Original file line number Diff line number Diff line change
Expand Up @@ -25,20 +25,6 @@ runs:
- run : |
source "$CONDA/etc/profile.d/conda.sh"
conda activate psi4env
if [[ "${{ inputs.os }}" == "windows-2019" ]]; then
release=1.6
echo "installs psi4 release $release"
conda install -y psi4=$release python=${{ inputs.python-version }} -c psi4 -c conda-forge
elif [[ "${{ inputs.os }}" == "macos-latest" ]]; then
release=1.6
echo 'installs psi4 release $release'
conda install -y psi4=$release python=${{ inputs.python-version }} -c psi4
echo 'update intel-openmp'
conda update -y -c anaconda intel-openmp
echo 'update llvm-openmp'
conda update -y -c conda-forge llvm-openmp
else
echo 'installs psi4 stable release'
conda install -y psi4 python=${{ inputs.python-version }} -c psi4
fi
echo "installs psi4 stable release"
conda install -y psi4 python=${{ inputs.python-version }} -c conda-forge/label/libint_dev -c conda-forge
shell: bash
15 changes: 6 additions & 9 deletions .github/workflows/main.yml
Original file line number Diff line number Diff line change
Expand Up @@ -155,9 +155,9 @@ jobs:
python-version: 3.8
- os: macos-latest
python-version: 3.11
- os: windows-2019
- os: windows-latest
python-version: 3.8
- os: windows-2019
- os: windows-latest
python-version: 3.11
steps:
- uses: actions/checkout@v3
Expand Down Expand Up @@ -186,7 +186,6 @@ jobs:
with:
os: ${{ matrix.os }}
python-version: ${{ matrix.python-version }}
if: ${{ matrix.python-version != '3.11' && (matrix.os != 'windows-2019' || (matrix.os == 'windows-2019' && matrix.python-version != '3.11')) }}
- uses: ./.github/actions/install-main-dependencies
with:
os: ${{ matrix.os }}
Expand Down Expand Up @@ -259,10 +258,8 @@ jobs:
source "$CONDA/etc/profile.d/conda.sh"
conda activate psi4env
pip uninstall -y matplotlib pyscf sparse opt_einsum
if [[ "${{ matrix.python-version }}" != "3.11" && ("${{ matrix.os }}" != "windows-2019" || ("${{ matrix.os }}" == "windows-2019" && "${{ matrix.python-version }}" != "3.11")) ]]; then
echo 'Uninstall psi4'
conda remove -y --force psi4
fi
echo 'Uninstall psi4'
conda remove -y --force psi4
if [ "${{ github.event_name }}" == "schedule" ] || [ "${{ contains(github.event.pull_request.labels.*.name, 'run_slow') }}" == "true" ]; then
export QISKIT_TESTS="run_slow"
fi
Expand Down Expand Up @@ -390,11 +387,11 @@ jobs:
path: /tmp/m311
- uses: actions/download-artifact@v3
with:
name: windows-2019-3.8
name: windows-latest-3.8
path: /tmp/w38
- uses: actions/download-artifact@v3
with:
name: windows-2019-3.11
name: windows-latest-3.11
path: /tmp/w311
- name: Install Dependencies
run: pip install -U coverage coveralls diff-cover
Expand Down

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