Add caching for dependencies and pip to CI

.github/workflows/ci.yml

@@ -146,24 +146,93 @@ jobs:
           sudo update-alternatives --set mpirun /usr/bin/mpirun.mpich
           sudo update-alternatives --set mpi-x86_64-linux-gnu /usr/include/x86_64-linux-gnu/mpich
 
+      - name: cache-xs
+        uses: actions/cache@v6
+        with:
+          path: |
+            ~/nndc_hdf5
+            ~/endf-b-vii.1
+          key: ${{ runner.os }}-build-xs-cache-${{ hashFiles('tools/ci/download-xs.sh') }}
+
+      - name: get cache keys from commits, scripts, and mpi-dep versions
+        shell: bash
+        run: $GITHUB_WORKSPACE/tools/ci/gha-cache-keys.sh
+
+      - name: Restore pip cache according to mpi-deps
+        uses: actions/cache@v6
+        with:
+          path: ~/.cache/pip
+          key: >-
+            pip-${{ runner.os }}-
+            py${{ matrix.python-version }}-
+            mpi-${{ matrix.mpi }}-
+            ${{ hashFiles(format('tools/ci/requirements-mpi-{0}.txt', matrix.mpi)) }}-
+            ${{ hashFiles('tools/ci/mpi-deps.txt') }}
+
+      - name: Restore NJOY2016
+        id: njoy
+        uses: actions/cache@v6
+        with:
+          path: |
+            ~/NJOY2016/metaconfigure
+            ~/NJOY2016/build/njoy
+            ~/NJOY2016/build/libnjoy.so
+          key: >-
+            NJOY2016-${{ env.NJOY_HASH }}-
+            ${{ runner.os }}-
+            ${{ hashFiles('tools/ci/gha-install-njoy.sh') }}
+
+      - name: Restore MOAB
+        id: moab
+        if: ${{ matrix.dagmc == 'y' }}
+        uses: actions/cache@v6
+        with:
+          path: |
+            ~/MOAB
+          key: >-
+            MOAB-${{ env.MOAB_HASH }}-
+            ${{ runner.os }}-
+            ${{ hashFiles('tools/ci/gha-install-moab.sh') }}
+
+      - name: Restore DAGMC
+        id: dagmc
+        if: ${{ matrix.dagmc == 'y' }}
+        uses: actions/cache@v6
+        with:
+          path: |
+            ~/DAGMC
+          key: >-
+            DAGMC-${{ env.DAGMC_HASH }}-
+            ${{ runner.os }}-
+            ${{ hashFiles('tools/ci/gha-install-dagmc.sh') }}
+
+      - name: Restore libmesh
+        id: libmesh
+        if: ${{ matrix.libmesh == 'y' }} 
+        uses: actions/cache@v6
+        with:
+          path: |
+            ~/LIBMESH
+          key: >-
+            libmesh-mpi-${{ matrix.mpi }}-
+            ${{ env.LB_HASH }}-
+            ${{ runner.os }}-
+            ${{ hashFiles('tools/ci/gha-install-libmesh.sh') }}
+
       - name: install
+        env: 
+          NJOY_HIT: ${{ steps.njoy.outputs.cache-hit }}
+          MOAB_HIT: ${{ steps.moab.outputs.cache-hit }}
+          DAGMC_HIT: ${{ steps.dagmc.outputs.cache-hit }}
+          LIBMESH_HIT: ${{ steps.libmesh.outputs.cache-hit }}
         shell: bash
         run: |
           echo "$HOME/NJOY2016/build" >> $GITHUB_PATH
           $GITHUB_WORKSPACE/tools/ci/gha-install.sh
 
       - name: display-config
         shell: bash
-        run: |
-          openmc -v
-
-      - name: cache-xs
-        uses: actions/cache@v5
-        with:
-          path: |
-            ~/nndc_hdf5
-            ~/endf-b-vii.1
-          key: ${{ runner.os }}-build-xs-cache-${{ hashFiles(format('{0}/tools/ci/download-xs.sh', github.workspace)) }}
+        run: openmc -v
 
       - name: before
         shell: bash
@@ -174,13 +243,13 @@ jobs:
         run: |
           CTEST_OUTPUT_ON_FAILURE=1 make test -C $GITHUB_WORKSPACE/build/
           $GITHUB_WORKSPACE/tools/ci/gha-script.sh
-
+ 
       - name: Setup tmate debug session
         continue-on-error: true
         if: ${{ failure() && contains(env.COMMIT_MESSAGE, '[gha-debug]') }}
         uses: mxschmitt/action-tmate@v3
         timeout-minutes: 10
-
+ 
       - name: Generate C++ coverage (gcovr)
         shell: bash
         run: |
@@ -198,13 +267,13 @@ jobs:
             --merge-mode-functions=separate \
             --print-summary \
             --lcov -o coverage-cpp.lcov || true
-
+ 
       - name: Merge C++ and Python coverage
         shell: bash
         run: |
           # Merge C++ and Python LCOV into a single file for upload
           cat coverage-cpp.lcov coverage-python.lcov > coverage.lcov
-
+ 
       - name: Upload coverage to Coveralls
         if: ${{ hashFiles('coverage.lcov') != '' }}
         uses: coverallsapp/github-action@v2
@@ -214,7 +283,7 @@ jobs:
           flag-name: C++ and Python
           path-to-lcov: coverage.lcov
           fail-on-error: false
-
+ 
   coverage:
     needs: [filter-changes, main]
     if: ${{ always() }}
@@ -227,7 +296,7 @@ jobs:
           github-token: ${{ secrets.GITHUB_TOKEN }}
           parallel-finished: true
           fail-on-error: false
-
+ 
   ci-pass:
     needs: [filter-changes, main, coverage]
     name: Check CI status

tools/ci/gha-cache-keys.sh

@@ -0,0 +1,29 @@
+#!/bin/bash
+set -ex
+
+echo "NJOY_HASH=$(git ls-remote https://github.com/njoy/NJOY2016.git \
+    --tags 2016.78 )" >> $GITHUB_ENV
+
+if [[ "$DAGMC" == 'y' ]]; then
+    echo "MOAB_HASH=$(git ls-remote https://bitbucket.org/fathomteam/moab.git \
+    --tags 5.5.1 )" >> $GITHUB_ENV
+
+    echo "DAGMC_HASH=$(git ls-remote https://github.com/svalinn/dagmc.git \
+    --branches develop )" >> $GITHUB_ENV
+fi
+
+if [[ "$LIBMESH" == 'y' ]]; then
+    echo "LB_HASH=$(git ls-remote https://github.com/libmesh/libmesh \
+    --tags v1.7.1 )" >> $GITHUB_ENV
+fi
+
+if [[ "$MPI" == 'y' ]]; then
+    dpkg-query -W libmpich-dev libhdf5-mpich-dev > $GITHUB_WORKSPACE/tools/ci/mpi-deps.txt
+    cat $GITHUB_WORKSPACE/tools/ci/mpi-deps.txt
+    sha256sum $GITHUB_WORKSPACE/tools/ci/requirements-mpi-y.txt
+    sha256sum $GITHUB_WORKSPACE/tools/ci/mpi-deps.txt
+else
+    touch $GITHUB_WORKSPACE/tools/ci/mpi-deps.txt
+    sha256sum $GITHUB_WORKSPACE/tools/ci/requirements-mpi-n.txt
+    sha256sum $GITHUB_WORKSPACE/tools/ci/mpi-deps.txt
+fi

tools/ci/gha-install-dagmc.sh

@@ -1,4 +1,3 @@
-
 #!/bin/bash
 set -ex
 
@@ -14,15 +13,6 @@ DAGMC_INSTALL_DIR=$HOME/DAGMC/
 
 CURRENT_DIR=$(pwd)
 
-# MOAB Install
-cd $HOME
-mkdir MOAB && cd MOAB
-git clone -b $MOAB_BRANCH $MOAB_REPO
-mkdir build && cd build
-cmake ../moab -DENABLE_HDF5=ON -DENABLE_NETCDF=ON -DBUILD_SHARED_LIBS=ON -DCMAKE_INSTALL_PREFIX=$MOAB_INSTALL_DIR
-make -j && make -j install
-rm -rf $HOME/MOAB/moab $HOME/MOAB/build
-
 # DAGMC Install
 cd $HOME
 mkdir DAGMC && cd DAGMC

tools/ci/gha-install-libmesh.sh

@@ -17,5 +17,7 @@ else
 fi
 make -j4 install
 rm -rf $HOME/LIBMESH/build
+rm -rf $HOME/LIBMESH/libmesh
+rm -rf $HOME/LIBMESH/examples
 
 popd

tools/ci/gha-install-moab.sh

@@ -0,0 +1,20 @@
+#!/bin/bash
+set -ex
+
+# MOAB Variables
+MOAB_BRANCH='5.5.1'
+MOAB_REPO='https://bitbucket.org/fathomteam/moab/'
+MOAB_INSTALL_DIR=$HOME/MOAB/
+
+CURRENT_DIR=$(pwd)
+
+# MOAB Install
+cd $HOME
+mkdir MOAB && cd MOAB
+git clone -b $MOAB_BRANCH $MOAB_REPO
+mkdir build && cd build
+cmake ../moab -DENABLE_HDF5=ON -DENABLE_NETCDF=ON -DBUILD_SHARED_LIBS=ON -DCMAKE_INSTALL_PREFIX=$MOAB_INSTALL_DIR
+make -j && make -j install
+rm -rf $HOME/MOAB/moab $HOME/MOAB/build
+
+cd $CURRENT_DIR

tools/ci/gha-install-njoy.sh

@@ -5,3 +5,8 @@ git clone -b 2016.78 https://github.com/njoy/NJOY2016
 cd NJOY2016
 mkdir build && cd build
 cmake -Dstatic=on .. && make 2>/dev/null && sudo make install
+find "$HOME/NJOY2016/build" -maxdepth 1 \
+  ! -name njoy \
+  ! -name libnjoy.so \
+  -type f \
+  -delete

tools/ci/gha-install.sh

@@ -7,28 +7,38 @@ pip install --upgrade pytest
 pip install --upgrade numpy
 
 # Install NJOY 2016
-./tools/ci/gha-install-njoy.sh
+if [[ "$NJOY_HIT" != "true" ]]; then
+    ./tools/ci/gha-install-njoy.sh
+fi
 
 # Install DAGMC if needed
-if [[ $DAGMC = 'y' ]]; then
-    ./tools/ci/gha-install-dagmc.sh
+if [[ "$DAGMC" == "y" ]]; then
+    if [[ "$MOAB_HIT" != "true" ]]; then
+        ./tools/ci/gha-install-moab.sh
+    fi
+
+    if [[ "$DAGMC_HIT" != "true" ]]; then
+        ./tools/ci/gha-install-dagmc.sh
+    fi
 fi
 
 # Install NCrystal and verify installation
 pip install 'ncrystal>=4.1.0'
 nctool --test
 
 # Install libMesh if needed
-if [[ $LIBMESH = 'y' ]]; then
-    ./tools/ci/gha-install-libmesh.sh
+if [[ "$LIBMESH" == "y" ]]; then
+    if [[ "$LIBMESH_HIT" != "true" ]]; then
+        ./tools/ci/gha-install-libmesh.sh
+    fi
 fi
 
 # Install MCPL
 pip install mcpl
 
 # For MPI configurations, make sure mpi4py and h5py are built against the
 # correct version of MPI
-if [[ $MPI == 'y' ]]; then
+if [[ "$MPI" == "y" ]]; then
     pip install --no-binary=mpi4py mpi4py
 
     export CC=mpicc

tools/ci/requirements-mpi-n.txt

@@ -0,0 +1,18 @@
+# requirements-mpi-n.txt
+numpy
+h5py
+scipy
+ipython
+matplotlib
+pandas
+lxml
+uncertainties
+endf
+packaging
+pytest
+pytest-cov>=4.0
+pytest-rerunfailures
+colorama
+openpyxl
+coverage>=7.4
+gcovr>=7.2

tools/ci/requirements-mpi-y.txt

@@ -0,0 +1,7 @@
+# requirements-mpi-y.txt
+-r requirements-mpi-n.txt
+mpi4py
+setuptools
+Cython
+pkgconfig
+h5py