diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml index 9c2558b9..6cb696d9 100644 --- a/.github/workflows/docs.yml +++ b/.github/workflows/docs.yml @@ -23,11 +23,6 @@ jobs: steps: - uses: actions/checkout@v4 - - name: setup rust - uses: actions-rs/toolchain@v1 - with: - profile: minimal - toolchain: stable - name: setup Python uses: actions/setup-python@v5 @@ -37,10 +32,6 @@ jobs: - name: install nox run: python -m pip install nox - - name: install cp2k - if: matrix.example-name == 'cp2k_run_batch' - run: sudo apt-get install -y cp2k - - name: build example run: nox -e ${{ matrix.example-name }} @@ -56,11 +47,7 @@ jobs: runs-on: ubuntu-latest steps: - uses: actions/checkout@v4 - - name: setup rust - uses: actions-rs/toolchain@v1 - with: - profile: minimal - toolchain: stable + - name: setup Python uses: actions/setup-python@v5 with: diff --git a/examples/gaas-map/environment.yml b/examples/gaas-map/environment.yml index e71f3f2b..fddeb7ca 100644 --- a/examples/gaas-map/environment.yml +++ b/examples/gaas-map/environment.yml @@ -1,6 +1,9 @@ +channels: + - conda-forge dependencies: - python=3.11 - pip + - rust - pip: - ase - chemiscope diff --git a/examples/lode-linear/environment.yml b/examples/lode-linear/environment.yml index 466cdff3..2a66a8ba 100644 --- a/examples/lode-linear/environment.yml +++ b/examples/lode-linear/environment.yml @@ -1,6 +1,9 @@ +channels: + - conda-forge dependencies: - python=3.11 - pip + - rust - pip: - ase - equisolve @ git+https://github.com/lab-cosmo/equisolve.git@c858bedef4b2799eb445e4c92535ee387224089a diff --git a/examples/roy-gch/environment.yml b/examples/roy-gch/environment.yml index a226a737..95bed51e 100644 --- a/examples/roy-gch/environment.yml +++ b/examples/roy-gch/environment.yml @@ -1,6 +1,9 @@ +channels: + - conda-forge dependencies: - python=3.11 - pip + - rust - pip: - ase - chemiscope diff --git a/examples/sample-selection/environment.yml b/examples/sample-selection/environment.yml index 0cccbca7..174b2733 100644 --- a/examples/sample-selection/environment.yml +++ b/examples/sample-selection/environment.yml @@ -1,6 +1,9 @@ +channels: + - conda-forge dependencies: - python=3.11 - pip + - rust - pip: - ase - chemiscope