Revamp CI with dependency and Python caching for efficient installs

.github/workflows/ci.yml

@@ -21,54 +21,28 @@ env:
   GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
 
 jobs:
+  setup: 
+    runs-on: ubuntu-22.04
+    outputs:
+      matrix: ${{ steps.read-json.outputs.matrix }}
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Read JSON
+        id: read-json
+        shell: bash
+        run: |
+            echo "matrix<<EOF" >> $GITHUB_OUTPUT
+            cat $GITHUB_WORKSPACE/tools/ci/matrix.json >> $GITHUB_OUTPUT
+
   main:
     runs-on: ubuntu-22.04
+    needs: setup
     strategy:
-      matrix:
-        python-version: ["3.10"]
-        mpi: [n, y]
-        omp: [n, y]
-        dagmc: [n]
-        ncrystal: [n]
-        libmesh: [n]
-        event: [n]
-        vectfit: [n]
-
-        include:
-          - python-version: "3.11"
-            omp: n
-            mpi: n
-          - python-version: "3.12"
-            omp: n
-            mpi: n
-          - dagmc: y
-            python-version: "3.10"
-            mpi: y
-            omp: y
-          - ncrystal: y
-            python-version: "3.10"
-            mpi: n
-            omp: n
-          - libmesh: y
-            python-version: "3.10"
-            mpi: y
-            omp: y
-          - libmesh: y
-            python-version: "3.10"
-            mpi: n
-            omp: y
-          - event: y
-            python-version: "3.10"
-            omp: y
-            mpi: n
-          - vectfit: y
-            python-version: "3.10"
-            omp: n
-            mpi: y
-    name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
-      mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }}, ncrystal=${{ matrix.ncrystal }},
-      libmesh=${{ matrix.libmesh }}, event=${{ matrix.event }}
-      vectfit=${{ matrix.vectfit }})"
+      matrix: "${{ fromJSON( needs.setup.outputs.matrix ) }}"
+
+    name: "${{ matrix.job-name }}"
 
     env:
       MPI: ${{ matrix.mpi }}
@@ -94,6 +68,15 @@ jobs:
         with:
           python-version: ${{ matrix.python-version }}
 
+      - name: Restore Python cache
+        uses: actions/cache@v4
+        with:
+          path: ${{ env.pythonLocation }}
+          key:  py-${{ matrix.python-version }}-(omp=${{ matrix.omp }} 
+            mpi=${{ matrix.mpi }} dagmc=${{ matrix.dagmc }} ncrystal=${{ matrix.ncrystal }} 
+            libmesh=${{ matrix.libmesh }} event=${{ matrix.event }} 
+            vectfit=${{ matrix.vectfit }})
+
       - name: Environment Variables
         run: |
           echo "DAGMC_ROOT=$HOME/DAGMC"
@@ -125,19 +108,67 @@ jobs:
         if: ${{ matrix.vectfit == 'y' }}
         run: sudo apt install -y libblas-dev liblapack-dev
 
+      - name: Hash dependencies to check caches
+        run: |
+          $GITHUB_WORKSPACE/tools/ci/gha-caches.sh
+
+      - name: Restore NJOY2016
+        uses: actions/cache@v4
+        with:
+          path: ~/NJOY2016
+          key: NJOY2016-${{ env.NJOY_HASH }} 
+
+      - name: Restore DAGMC
+        if: ${{ matrix.dagmc == 'y' }}
+        uses: actions/cache@v4
+        with:
+          path: |
+            ~/DAGMC
+            ~/MOAB
+          key: DAGMC-${{ env.DAGMC_HASH }}/MOAB-${{ env.MOAB_HASH }}
+
+      - name: Restore NCrystal
+        if: ${{ matrix.ncrystal == 'y' }}
+        uses: actions/cache@v4
+        with:
+          path: |
+            ~/ncrystal_src
+            ~/ncrystal_bld
+            ~/ncrystal_inst
+          key: NCrystal-${{ env.NC_HASH }} 
+
+      - name: Restore vectfit
+        if: ${{ matrix.vectfit == 'y' }} 
+        uses: actions/cache@v4
+        with:
+          path: |
+            ~/pybind11
+            ~/xtl
+            ~/xtensor-python
+            ~/xtensor-blas
+            ~/vectfit
+          key: vectfit-${{ env.VF_HASH }}/pybind-${{ env.PYBIND_HASH }}
+
+      - name: Restore libmesh
+        if: ${{ matrix.libmesh == 'y' }} 
+        uses: actions/cache@v4
+        with:
+          path: |
+            ~/LIBMESH
+          key: libmesh-mpi-${{matrix.mpi}}-${{ env.NC_HASH }} 
+
       - name: install
         shell: bash
         run: |
-          echo "$HOME/NJOY2016/build" >> $GITHUB_PATH
           $GITHUB_WORKSPACE/tools/ci/gha-install.sh
 
-      - name: cache-xs
+      - name: Restore endf-b-vii.1 cache
         uses: actions/cache@v4
         with:
           path: |
             ~/nndc_hdf5
             ~/endf-b-vii.1
-          key: ${{ runner.os }}-build-xs-cache
+          key: endf-b-vii.1-cache
 
       - name: before
         shell: bash

tools/ci/gha-caches.sh

@@ -0,0 +1,31 @@
+#!/bin/bash
+set -ex
+
+echo "NJOY_HASH=$(git ls-remote https://github.com/njoy/NJOY2016.git | cut -f 1 |\
+    head -c 15)" >> $GITHUB_ENV
+
+if [[ $DAGMC = 'y' ]]; then
+    echo "MOAB_HASH=$(git ls-remote https://bitbucket.org/fathomteam/moab.git \
+    --branch Version5.1.0 | cut -f 1 | head -c 15)" >> $GITHUB_ENV
+
+    echo "DAGMC_HASH=$(git ls-remote https://github.com/svalinn/dagmc.git |\
+    cut -f 1 | head -c 15)" >> $GITHUB_ENV
+fi
+
+if [[ $NCRYSTAL = 'y' ]]; then
+    echo "NC_HASH=$(git ls-remote https://github.com/mctools/ncrystal \
+    --branch develop | cut -f 1 | head -c 15)" >> $GITHUB_ENV
+fi
+
+if [[ $VECTFIT = 'y' ]]; then
+    echo "PYBIND_HASH=$(git ls-remote https://github.com/pybind/pybind11 \
+    --branch master | cut -f 1 | head -c 15)" >> $GITHUB_ENV
+
+    echo "VF_HASH=$(git ls-remote https://github.com/liangjg/vectfit.git |\
+    cut -f 1 | head -c 15)" >> $GITHUB_ENV
+fi
+
+if [[ $LIBMESH = 'y' ]]; then
+    echo "NC_HASH=$(git ls-remote https://github.com/libmesh/libmesh \
+    --branch v1.7.1 | cut -f 1 | head -c 15)" >> $GITHUB_ENV
+fi

tools/ci/gha-install-libmesh.sh

@@ -13,7 +13,8 @@ if [[ $MPI == 'y' ]]; then
     ../libmesh/configure --prefix=$HOME/LIBMESH CXX=mpicxx CC=mpicc FC=mpifort F77=mpif77 \
         --enable-exodus --disable-netcdf-4 --disable-eigen --disable-lapack
 else
-    ../libmesh/configure --prefix=$HOME/LIBMESH --enable-exodus --disable-netcdf-4 --disable-eigen --disable-lapack --disable-mpi
+    ../libmesh/configure --prefix=$HOME/LIBMESH --enable-exodus --disable-netcdf-4 \
+    --disable-eigen --disable-lapack --disable-mpi
 fi
 make -j4 install
 export LIBMESH_PC=$HOME/LIBMESH/lib/pkgconfig/

tools/ci/gha-install-mcpl.sh

@@ -1,7 +1,12 @@
 #!/bin/bash
 set -ex
+
+# MCPL variables
+MCPL_REPO='https://github.com/mctools/mcpl'
+
 cd $HOME
-git clone https://github.com/mctools/mcpl
+git clone $MCPL_REPO
 cd mcpl
 mkdir build && cd build
-cmake .. && make 2>/dev/null && sudo make install
+cmake .. -DCMAKE_INSTALL_PREFIX=$MCPL_INSTALL_DIR &&
+make 2>/dev/null && sudo make install

tools/ci/gha-install-ncrystal.sh

@@ -34,7 +34,6 @@ make install
 #      yet. If it appears in the future, we should add it here.
 
 # Output the configuration to the log
-
 "${INST_DIR}/bin/ncrystal-config" --setup
 
 # Change environmental variables

tools/ci/gha-install-njoy.sh

@@ -1,7 +1,13 @@
 #!/bin/bash
 set -ex
+
+# NJOY variables
+NJOY_REPO='https://github.com/njoy/NJOY2016'
+NJOY_INSTALL_DIR=$HOME/NJOY2016
+
 cd $HOME
-git clone https://github.com/njoy/NJOY2016
+git clone $NJOY_REPO
 cd NJOY2016
 mkdir build && cd build
-cmake -Dstatic=on .. && make 2>/dev/null && sudo make install
+cmake -Dstatic=on .. -DCMAKE_INSTALL_PREFIX=$NJOY_INSTALL_DIR &&
+make 2>/dev/null && sudo make install

tools/ci/gha-install.py

@@ -11,6 +11,8 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrys
 
     # Build in debug mode by default with support for MCPL
     cmake_cmd = ['cmake', '-DCMAKE_BUILD_TYPE=Debug', '-DOPENMC_USE_MCPL=on']
+    mcpl_cmake_path = os.environ.get('HOME') + '/mcpl/lib/cmake/MCPL'
+    cmake_cmd.append(f'-DMCPL_DIR={mcpl_cmake_path}')
 
     # Turn off OpenMP if specified
     if not omp:

tools/ci/gha-install.sh

@@ -7,30 +7,56 @@ pip install --upgrade pytest
 pip install --upgrade numpy
 
 # Install NJOY 2016
-./tools/ci/gha-install-njoy.sh
+if [[ ! -d "$HOME/NJOY2016" ]]; then
+    ./tools/ci/gha-install-njoy.sh
+fi
+echo "$HOME/NJOY2016/build" >> $GITHUB_PATH
 
 # Install DAGMC if needed
 if [[ $DAGMC = 'y' ]]; then
-    ./tools/ci/gha-install-dagmc.sh
+    if [ ! -d "$HOME/DAGMC" ] || [ ! -d "$HOME/MOAB" ]
+    then
+        ./tools/ci/gha-install-dagmc.sh
+    fi
 fi
 
 # Install NCrystal if needed
 if [[ $NCRYSTAL = 'y' ]]; then
-    ./tools/ci/gha-install-ncrystal.sh
+    if [ ! -d "$HOME/ncrystal_bld" ]
+    then
+        ./tools/ci/gha-install-ncrystal.sh
+    else
+        cd $HOME/ncrystal_bld
+        eval $( "$HOME/ncrystal_inst/bin/ncrystal-config" --setup )
+        cd $GITHUB_WORKSPACE
+    fi
 fi
 
 # Install vectfit for WMP generation if needed
-if [[ $VECTFIT = 'y' ]]; then
-    ./tools/ci/gha-install-vectfit.sh
+if [[ $VECTFIT = 'y' ]]; then 
+    if [ ! -d "$HOME/vectfit" ]
+    then
+        ./tools/ci/gha-install-vectfit.sh
+    fi
 fi
 
 # Install libMesh if needed
 if [[ $LIBMESH = 'y' ]]; then
-    ./tools/ci/gha-install-libmesh.sh
+    if [ ! -d "$HOME/libmesh" ]
+    then
+        ./tools/ci/gha-install-libmesh.sh
+    else
+        pip install $HOME/pybind11
+        pip install wheel
+        pip install --no-build-isolation ./vectfit
+    fi
 fi
 
 # Install MCPL
-./tools/ci/gha-install-mcpl.sh
+if [[ ! -d "$HOME/mcpl" ]]; then
+    ./tools/ci/gha-install-mcpl.sh
+fi
+
 
 # For MPI configurations, make sure mpi4py and h5py are built against the
 # correct version of MPI