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Miniforge releases will NOT build Mambaforge #773

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Nov 20, 2024
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30 changes: 16 additions & 14 deletions .github/workflows/cont_int.yml
Original file line number Diff line number Diff line change
Expand Up @@ -129,13 +129,15 @@ jobs:
path: ~/conda_pkgs_dir
key:
${{ runner.os }}-conda-${{ env.CACHE_NUMBER }}-${{ hashFiles('environment.yml') }}
- name: Setup ARC Env
uses: conda-incubator/setup-miniconda@v2

- name: Set up miniconda
uses: conda-incubator/setup-miniconda@v3
with:
miniforge-variant: Mambaforge
miniforge-version: latest
auto-update-conda: true
environment-file: environment.yml
activate-environment: arc_env
use-mamba: true
miniconda-version: latest
conda-solver: libmamba

- name: Cache ARC env
uses: actions/cache@v2
Expand All @@ -147,11 +149,11 @@ jobs:
CACHE_NUMBER: 0
id: cache-arc-env
- name: Update environment
run: mamba env update -n arc_env -f environment.yml
run: conda env update -n arc_env -f environment.yml
if: steps.cache-arc-env.outputs.cache-hit != 'true'

- name: Install codecov
run: mamba install -y -c conda-forge codecov
run: conda install --force-reinstall ld_impl_linux-64 -y && conda install -y -c conda-forge codecov

- name: Cythonize RMG-Py
run: |
Expand All @@ -177,9 +179,9 @@ jobs:
echo 'export PATH=$PATH:'"$(pwd)" >> $GITHUB_ENV
echo 'export PYTHONPATH=$PYTHONPATH:'"$(pwd)" >> ~/.bashrc
echo 'export PATH=$PATH:'"$(pwd)" >> ~/.bashrc
mamba env create -f environment.yml
conda env create -f environment.yml
# install pyaml
mamba install -n tst_env -c conda-forge -y pyyaml
conda install -n tst_env -c conda-forge -y pyyaml
cd ..

- name: Install TS-GCN
Expand All @@ -190,7 +192,7 @@ jobs:
echo 'export PYTHONPATH=$PYTHONPATH:'"$(pwd)" >> ~/.bashrc
echo 'export PATH=$PATH:'"$(pwd)" >> ~/.bashrc
bash devtools/create_env_cpu.sh
mamba env update -n ts_gcn -f environment.yml
conda env update -n ts_gcn -f environment.yml
cd ..

- name: Install KinBot
Expand All @@ -207,19 +209,19 @@ jobs:

- name: Install OpenBabel
run: |
mamba env create -f devtools/ob_environment.yml
conda env create -f devtools/ob_environment.yml

- name: Install Sella
run: |
mamba env create -f devtools/sella_environment.yml
conda env create -f devtools/sella_environment.yml

- name: Install Torch Ani
run: |
mamba env create -f devtools/tani_environment.yml
conda env create -f devtools/tani_environment.yml

- name: Install XTB
run: |
mamba env create -f devtools/xtb_environment.yml
conda env create -f devtools/xtb_environment.yml

- name: Test with pytest
shell: bash -el {0}
Expand Down
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