From 669d0fdc0344ed5cc18d84a6046f1e4f41f84021 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Jan=20Jan=C3=9Fen?= <janssen@mpie.de>
Date: Tue, 27 Aug 2024 08:41:24 +0200
Subject: [PATCH 1/2] Remove conda default channel

---
 .github/workflows/coverage.yml         |  8 +++-----
 .github/workflows/deploy.yml           | 11 +++++------
 .github/workflows/minimal.yml          |  9 ++++-----
 .github/workflows/notebooks.yml        |  8 +++-----
 .github/workflows/pypicheck.yml        | 11 +++++------
 .github/workflows/unittests.yml        |  8 +++-----
 .github/workflows/unittests_abinit.yml |  8 +++-----
 .github/workflows/unittests_gpaw.yml   |  8 +++-----
 .github/workflows/unittests_mace.yml   |  8 +++-----
 .github/workflows/unittests_matgl.yml  |  8 +++-----
 .github/workflows/unittests_old.yml    |  9 ++++-----
 .github/workflows/unittests_qe.yml     |  8 +++-----
 .github/workflows/unittests_siesta.yml |  8 +++-----
 13 files changed, 45 insertions(+), 67 deletions(-)

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..9e7a816e 100644
--- a/.github/workflows/unittests.yml
+++ b/.github/workflows/unittests.yml
@@ -37,16 +37,14 @@ jobs:
       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

From a26c4155065fca17ed0b71f4dedf7ef347563480 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Jan=20Jan=C3=9Fen?= <janssen@mpie.de>
Date: Tue, 27 Aug 2024 08:46:54 +0200
Subject: [PATCH 2/2] windows fix

---
 .github/workflows/unittests.yml | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/unittests.yml b/.github/workflows/unittests.yml
index 9e7a816e..8e6445ae 100644
--- a/.github/workflows/unittests.yml
+++ b/.github/workflows/unittests.yml
@@ -30,7 +30,10 @@ 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}