update pypi_wheel.yml (pyscf#178)

* be compatible with pyscf 2.6

* delete csv files

* .gitignore

* verbose = 6

* remove dftd4 and dftd3

* suport DFT APIs in PySCF 2.6

* added one more smoke test

* dependencies for unit test

* updated benchmark script

* flake8

* updated recent benchmark data

* flake8

* improve the robustness of CPHF

* improve the robustness

* correct the comment in solve_mo1

* flake8

* fixed a bug in transpose_sum

* updated benchmark data

* support wb97m-d3bj

* ruff

* unit test

* keep auxmol in reset

* remove duplicated code

* release v0.8.1

* workaround due to EOL of centos7

* fixed build issue

* remove extra command

* remove sed in pypi_wheel.yml

.github/workflows/pypi_wheel.yml

@@ -22,8 +22,6 @@ jobs:
         docker run --rm -v ${{ github.workspace }}:/gpu4pyscf:rw --workdir=/gpu4pyscf \
         -e CMAKE_CONFIGURE_ARGS="-DBUILD_LIBXC=OFF" \
         ${{ env.img }} \
-        sed -i 's/mirrorlist/#mirrorlist/g' /etc/yum.repos.d/CentOS-* \
-        sed -i 's|#baseurl=http://mirror.centos.org|baseurl=http://vault.centos.org|g' /etc/yum.repos.d/CentOS-* \
         bash -exc 'sh /gpu4pyscf/builder/build_wheels.sh'
     - name: List available wheels
       run: |
@@ -47,8 +45,6 @@ jobs:
         docker run --rm -v ${{ github.workspace }}:/gpu4pyscf:rw --workdir=/gpu4pyscf \
         -e CMAKE_CONFIGURE_ARGS="-DBUILD_LIBXC=OFF" \
         ${{ env.img }} \
-        sed -i 's/mirrorlist/#mirrorlist/g' /etc/yum.repos.d/CentOS-* \
-        sed -i 's|#baseurl=http://mirror.centos.org|baseurl=http://vault.centos.org|g' /etc/yum.repos.d/CentOS-* \
         bash -exc 'sh /gpu4pyscf/builder/build_wheels.sh'
     - name: List available wheels
       run: |