diff --git a/.github/workflows/coverage.yml b/.github/workflows/coverage.yml index 222c175c..523001b3 100644 --- a/.github/workflows/coverage.yml +++ b/.github/workflows/coverage.yml @@ -17,16 +17,14 @@ jobs: tail --lines=+4 .ci_support/environment-lammps.yml >> environment.yml tail --lines=+4 .ci_support/environment-qe.yml >> environment.yml sed -i 's/- scipy =1.13.0/- scipy =1.12.0/g' environment.yml + echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: python-version: '3.11' - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + miniforge-version: latest + condarc-file: .condarc environment-file: environment.yml - use-mamba: true - name: Test shell: bash -l {0} timeout-minutes: 30 diff --git a/.github/workflows/deploy.yml b/.github/workflows/deploy.yml index a72aa473..1fa488ff 100644 --- a/.github/workflows/deploy.yml +++ b/.github/workflows/deploy.yml @@ -19,14 +19,13 @@ jobs: id-token: write steps: - uses: actions/checkout@v4 + - name: Conda config + run: echo -e "channels:\n - conda-forge\n" > .condarc - uses: conda-incubator/setup-miniconda@v3 with: - python-version: 3.11 - mamba-version: "*" - channels: conda-forge - miniforge-variant: Mambaforge - channel-priority: strict - auto-update-conda: true + python-version: "3.12" + miniforge-version: latest + condarc-file: .condarc environment-file: .ci_support/environment.yml - name: Convert dependencies run: | diff --git a/.github/workflows/minimal.yml b/.github/workflows/minimal.yml index d34d2540..b27d8258 100644 --- a/.github/workflows/minimal.yml +++ b/.github/workflows/minimal.yml @@ -10,16 +10,15 @@ jobs: runs-on: ubuntu-latest steps: - uses: actions/checkout@v4 + - name: Conda config + run: echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: python-version: '3.12' - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + miniforge-version: latest + condarc-file: .condarc environment-file: .ci_support/environment.yml - use-mamba: true - name: Test shell: bash -l {0} timeout-minutes: 30 diff --git a/.github/workflows/notebooks.yml b/.github/workflows/notebooks.yml index 5f3acf45..8269b9cb 100644 --- a/.github/workflows/notebooks.yml +++ b/.github/workflows/notebooks.yml @@ -16,16 +16,14 @@ jobs: run: | cp .ci_support/environment.yml environment.yml tail --lines=+4 .ci_support/environment-notebooks.yml >> environment.yml + echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: python-version: "3.12" - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + miniforge-version: latest + condarc-file: .condarc environment-file: environment.yml - use-mamba: true - name: Test shell: bash -l {0} run: | diff --git a/.github/workflows/pypicheck.yml b/.github/workflows/pypicheck.yml index 70e1b7f1..8ab083ed 100644 --- a/.github/workflows/pypicheck.yml +++ b/.github/workflows/pypicheck.yml @@ -12,16 +12,15 @@ jobs: runs-on: ubuntu-latest steps: - uses: actions/checkout@v4 + - name: Conda config + run: echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: - python-version: '3.10' - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + python-version: '3.12' + miniforge-version: latest + condarc-file: .condarc environment-file: .ci_support/environment.yml - use-mamba: true - name: Pip check shell: bash -l {0} run: | diff --git a/.github/workflows/unittests.yml b/.github/workflows/unittests.yml index efbe6423..8e6445ae 100644 --- a/.github/workflows/unittests.yml +++ b/.github/workflows/unittests.yml @@ -30,23 +30,24 @@ jobs: - uses: actions/checkout@v4 - name: Setup environment (windows) if: matrix.operating-system == 'windows-latest' - run: cp .ci_support/environment.yml environment.yml + shell: bash -l {0} + run: | + cp .ci_support/environment.yml environment.yml + echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup environment (unix) if: matrix.operating-system != 'windows-latest' shell: bash -l {0} run: | cp .ci_support/environment.yml environment.yml tail --lines=+4 .ci_support/environment-lammps.yml >> environment.yml + echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: python-version: ${{ matrix.python-version }} - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + miniforge-version: latest + condarc-file: .condarc environment-file: environment.yml - use-mamba: true - name: Test shell: bash -l {0} timeout-minutes: 30 diff --git a/.github/workflows/unittests_abinit.yml b/.github/workflows/unittests_abinit.yml index e104a00d..b94251b6 100644 --- a/.github/workflows/unittests_abinit.yml +++ b/.github/workflows/unittests_abinit.yml @@ -14,16 +14,14 @@ jobs: run: | cp .ci_support/environment.yml environment.yml tail --lines=+4 .ci_support/environment-abinit.yml >> environment.yml + echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: python-version: '3.12' - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + miniforge-version: latest + condarc-file: .condarc environment-file: environment.yml - use-mamba: true - name: Test shell: bash -l {0} timeout-minutes: 30 diff --git a/.github/workflows/unittests_gpaw.yml b/.github/workflows/unittests_gpaw.yml index 652e5342..667b4a7e 100644 --- a/.github/workflows/unittests_gpaw.yml +++ b/.github/workflows/unittests_gpaw.yml @@ -14,16 +14,14 @@ jobs: run: | cp .ci_support/environment.yml environment.yml tail --lines=+4 .ci_support/environment-gpaw.yml >> environment.yml + echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: python-version: '3.12' - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + miniforge-version: latest + condarc-file: .condarc environment-file: environment.yml - use-mamba: true - name: Test shell: bash -l {0} timeout-minutes: 30 diff --git a/.github/workflows/unittests_mace.yml b/.github/workflows/unittests_mace.yml index c44821f0..0027e4b5 100644 --- a/.github/workflows/unittests_mace.yml +++ b/.github/workflows/unittests_mace.yml @@ -14,16 +14,14 @@ jobs: run: | cp .ci_support/environment.yml environment.yml tail --lines=+4 .ci_support/environment-mace.yml >> environment.yml + echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: python-version: '3.12' - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + miniforge-version: latest + condarc-file: .condarc environment-file: environment.yml - use-mamba: true - name: Test shell: bash -l {0} timeout-minutes: 60 diff --git a/.github/workflows/unittests_matgl.yml b/.github/workflows/unittests_matgl.yml index a9ce3164..ca858583 100644 --- a/.github/workflows/unittests_matgl.yml +++ b/.github/workflows/unittests_matgl.yml @@ -14,16 +14,14 @@ jobs: run: | cp .ci_support/environment.yml environment.yml tail --lines=+4 .ci_support/environment-matgl.yml >> environment.yml + echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: python-version: '3.11' - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + miniforge-version: latest + condarc-file: .condarc environment-file: environment.yml - use-mamba: true - name: Test shell: bash -l {0} timeout-minutes: 60 diff --git a/.github/workflows/unittests_old.yml b/.github/workflows/unittests_old.yml index 66062830..336cafb1 100644 --- a/.github/workflows/unittests_old.yml +++ b/.github/workflows/unittests_old.yml @@ -10,16 +10,15 @@ jobs: runs-on: ubuntu-latest steps: - uses: actions/checkout@v4 + - name: Conda config + run: echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: python-version: '3.9' - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + miniforge-version: latest + condarc-file: .condarc environment-file: .ci_support/environment-old.yml - use-mamba: true - name: Test shell: bash -l {0} timeout-minutes: 30 diff --git a/.github/workflows/unittests_qe.yml b/.github/workflows/unittests_qe.yml index d00bcf4d..cfef6e8f 100644 --- a/.github/workflows/unittests_qe.yml +++ b/.github/workflows/unittests_qe.yml @@ -14,16 +14,14 @@ jobs: run: | cp .ci_support/environment.yml environment.yml tail --lines=+4 .ci_support/environment-qe.yml >> environment.yml + echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: python-version: '3.11' - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + miniforge-version: latest + condarc-file: .condarc environment-file: environment.yml - use-mamba: true - name: Test shell: bash -l {0} timeout-minutes: 60 diff --git a/.github/workflows/unittests_siesta.yml b/.github/workflows/unittests_siesta.yml index daf9a6bc..76509e93 100644 --- a/.github/workflows/unittests_siesta.yml +++ b/.github/workflows/unittests_siesta.yml @@ -14,16 +14,14 @@ jobs: run: | cp .ci_support/environment.yml environment.yml tail --lines=+4 .ci_support/environment-siesta.yml >> environment.yml + echo -e "channels:\n - conda-forge\n" > .condarc - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: python-version: '3.12' - miniforge-variant: Mambaforge - channels: conda-forge - channel-priority: strict - activate-environment: my-env + miniforge-version: latest + condarc-file: .condarc environment-file: environment.yml - use-mamba: true - name: Test shell: bash -l {0} timeout-minutes: 30