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hash cpptraj
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hainm committed Nov 23, 2024
1 parent ece330b commit 5f7f3fb
Showing 1 changed file with 15 additions and 6 deletions.
21 changes: 15 additions & 6 deletions .github/workflows/python-package-conda.yml
Original file line number Diff line number Diff line change
Expand Up @@ -36,6 +36,13 @@ jobs:
key: ${{ runner.os }}-netcdf-c-${{ hashFiles('.github/workflows/python-package-conda.yml') }}
restore-keys: |
${{ runner.os }}-netcdf-c-
- name: Cache cpptraj
uses: actions/cache@v4
with:
path: ~/cpptraj
key: ${{ runner.os }}-cpptraj-${{ hashFiles('https://github.com/Amber-MD/cpptraj/commits/main') }}
restore-keys: |
${{ runner.os }}-cpptraj-
- name: Set up Miniconda
uses: conda-incubator/setup-miniconda@v3
with:
Expand Down Expand Up @@ -70,12 +77,14 @@ jobs:
export PATH=$PATH:$HOME/netcdf-c/bin
- name: Install cpptraj
run: |
git clone https://github.com/Amber-MD/cpptraj
cd cpptraj
export CPPTRAJHOME=`pwd`
yes | ./configure -shared -openmp gnu
make libcpptraj
cd ../
if [ ! -d "$HOME/cpptraj" ]; then
git clone https://github.com/Amber-MD/cpptraj
cd cpptraj
export CPPTRAJHOME=`pwd`
yes | ./configure -shared -openmp gnu
make libcpptraj
cd ../
fi
- name: Install pytraj
run: |
which python3
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