@@ -18,73 +18,8 @@ permissions:
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jobs :
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test :
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- strategy :
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- fail-fast : false
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- matrix :
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- os : [ubuntu-latest]
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- python-version : ["3.11"]
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-
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- runs-on : ${{ matrix.os }}
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-
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- env :
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- PMG_MAPI_KEY : ${{ secrets.PMG_MAPI_KEY }}
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- MPLBACKEND : Agg # https://github.com/orgs/community/discussions/26434
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- PMG_TEST_FILES_DIR : ${{ github.workspace }}/tests/files
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- GULP_LIB : ${{ github.workspace }}/cmd_line/gulp/Libraries
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- PMG_VASP_PSP_DIR : ${{ github.workspace }}/tests/files
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-
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- steps :
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- - uses : actions/checkout@v4
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- - name : Set up Python ${{ matrix.python-version }}
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- uses : actions/setup-python@v5
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- with :
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- python-version : ${{ matrix.python-version }}
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- cache : pip
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- cache-dependency-path : setup.py
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- - name : Copy GULP to bin
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- if : matrix.os == 'ubuntu-latest'
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- run : |
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- sudo cp cmd_line/gulp/Linux_64bit/* /usr/local/bin/
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- - name : Install Bader
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- if : matrix.os == 'ubuntu-latest'
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- run : |
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- wget http://theory.cm.utexas.edu/henkelman/code/bader/download/bader_lnx_64.tar.gz
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- tar xvzf bader_lnx_64.tar.gz
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- sudo mv bader /usr/local/bin/
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- continue-on-error : true # This is not critical to succeed.
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- - name : Install Enumlib
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- if : matrix.os == 'ubuntu-latest'
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- run : |
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- git clone --recursive https://github.com/msg-byu/enumlib.git
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- cd enumlib/symlib/src
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- export F90=gfortran
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- make
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- cd ../../src
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- make enum.x
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- sudo mv enum.x /usr/local/bin/
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- cd ..
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- sudo cp aux_src/makeStr.py /usr/local/bin/
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- continue-on-error : true # This is not critical to succeed.
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- - name : Install dependencies
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- run : |
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- python -m pip install --upgrade pip wheel
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-
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- # TODO remove next line installing ase from main branch until FrechetCellFilter is released
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- pip install git+https://gitlab.com/ase/ase
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-
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- python -m pip install numpy cython
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- python -m pip install -e '.[dev,optional]'
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- - name : pytest
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- if : github.event_name == 'release' || (github.event_name == 'workflow_dispatch' && inputs.task == 'release')
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- run : |
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- rm -rf .coverage* coverage*
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- pytest --cov=pymatgen tests
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- - name : Upload coverage reports to Codecov
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- if : github.event_name == 'release' || (github.event_name == 'workflow_dispatch' && inputs.task == 'release')
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- uses : codecov/codecov-action@v3
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- with :
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- token : ${{ secrets.CODECOV_TOKEN }}
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- verbose : true
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+ # run test.yml first to ensure that the test suite is passing
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+ uses : ./.github/workflows/test.yml
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build_sdist :
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needs : test
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