diff --git a/.github/workflows/publish-pypi.yml b/.github/workflows/publish-pypi.yml index 7061b5a3..252eb65e 100644 --- a/.github/workflows/publish-pypi.yml +++ b/.github/workflows/publish-pypi.yml @@ -43,6 +43,11 @@ jobs: run: | # Wheels are inside dist/ folder python -m build + # Check the contents, if psp exists + TMP_DIR=$(mktemp -d) + unzip dist/sparc_x_api-*.whl -d ${TMP_DIR} + find $TMP_DIR/sparc/psp -name "*.psp8" + - name: Publish package distributions to PyPI uses: pypa/gh-action-pypi-publish@release/v1 with: diff --git a/setup.py b/setup.py index 5972ee77..f492c9d8 100644 --- a/setup.py +++ b/setup.py @@ -25,7 +25,7 @@ setup( name="sparc-x-api", - version="1.0.4", + version="1.0.5", python_requires=">=3.8", description="Python API for the SPARC DFT Code", author="Tian Tian, Lucas R Timmerman, Ben Comer", @@ -33,7 +33,7 @@ url="https://github.com/SPARC-X/SPARC-X-API", packages=find_packages(), # ASE 3.22 dependency will be deprecated in 2.0+ release - install_requires=["ase>=3.23.0", "numpy>=1.23", "packaging>=20.0", "psutil>=5.0.0"], + install_requires=["ase>=3.22.0", "numpy>=1.23", "packaging>=20.0", "psutil>=5.0.0"], entry_points={ # The ioformats are only compatible with ase>=3.23 "ase.ioformats": [