diff --git a/.github/workflows/quemb_unittest.yml b/.github/workflows/quemb_unittest.yml index 8d3f06ce..839c54b0 100644 --- a/.github/workflows/quemb_unittest.yml +++ b/.github/workflows/quemb_unittest.yml @@ -120,6 +120,8 @@ jobs: - name: Install quemb if: steps.restore-quemb-cache.outputs.cache-hit != 'true' run: | + conda init + conda install pip pip install -r tests/test_requirements.txt pip install . @@ -141,8 +143,6 @@ jobs: - name: Install block2 if: steps.restore-block2-cache.outputs.cache-hit != 'true' run: | - conda init - conda install pip pip install -r tests/test_opt_requirements.txt PYSCFHOME=$(pip show pyscf-dmrgscf | grep 'Location' | tr ' ' '\n' | tail -n 1) cp src/quemb/shared/external/dmrgscf_settings.py ${PYSCFHOME}/pyscf/dmrgscf/settings.py diff --git a/tests/test_opt_requirements.txt b/tests/test_opt_requirements.txt index 9ad5cf8c..34adb46d 100644 --- a/tests/test_opt_requirements.txt +++ b/tests/test_opt_requirements.txt @@ -1,4 +1,4 @@ -# Optional dependencies for QuEmb's unit tests. +# Optional dependencies for QuEmb's test suite. block2 --extra-index-url=https://block-hczhai.github.io/block2-preview/pypi/ git+https://github.com/pyscf/dmrgscf mkl \ No newline at end of file diff --git a/tests/test_requirements.txt b/tests/test_requirements.txt index 7b934dc7..180cca49 100644 --- a/tests/test_requirements.txt +++ b/tests/test_requirements.txt @@ -1,3 +1,3 @@ -# the additional (!) requirements for testing the code +# the additional (!) requirements for running the testsuite... # the dependencies of `quemb` itself are given in the setup.py pytest