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Merged
jan-janssen merged 1 commit into from
Jul 28, 2025
Merged

Remove manual .condarc #511

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5 changes: 2 additions & 3 deletions .github/workflows/deploy.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -19,13 +19,12 @@ 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: "3.12"
miniforge-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: .ci_support/environment.yml
- name: Convert dependencies
run: |
Expand Down
63 changes: 30 additions & 33 deletions .github/workflows/pipeline.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -52,13 +52,13 @@ jobs:
cp .ci_support/environment.yml environment.yml
tail --lines=+4 .ci_support/environment-lammps.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: '3.12'
miniforge-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -84,14 +84,13 @@ 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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: .ci_support/environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -110,13 +109,13 @@ 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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -137,13 +136,13 @@ jobs:
cp .ci_support/environment.yml environment.yml
tail --lines=+4 .ci_support/environment-lammps.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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Pip check
shell: bash -l {0}
Expand Down Expand Up @@ -179,20 +178,19 @@ jobs:
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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -211,13 +209,13 @@ 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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -240,13 +238,13 @@ 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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -267,13 +265,13 @@ jobs:
run: |
cp .ci_support/environment.yml environment.yml
tail --lines=+4 .ci_support/environment-sphinx.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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -292,13 +290,13 @@ 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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -320,13 +318,13 @@ 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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -348,13 +346,13 @@ jobs:
run: |
cp .ci_support/environment.yml environment.yml
tail --lines=+4 .ci_support/environment-orb.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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -373,13 +371,13 @@ jobs:
run: |
cp .ci_support/environment.yml environment.yml
tail --lines=+4 .ci_support/environment-grace.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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -398,13 +396,13 @@ 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: '3.12'
miniforge-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -429,13 +427,13 @@ 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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: environment.yml
- name: Test
shell: bash -l {0}
Expand All @@ -450,14 +448,13 @@ 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-version: latest
condarc-file: .condarc
channels: conda-forge
conda-remove-defaults: "true"
environment-file: .ci_support/environment-old.yml
- name: Test
shell: bash -l {0}
Expand Down
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