Merge pull request #2371 from tkittel/ncrystal_powdern

First attempt at making PowderN load NCMAT data directly via NCrystal

Author: willend

.github/workflows/mcstas-conda-basictest.yml

@@ -85,6 +85,27 @@ jobs:
       run: |
            ./src/devel/bin/mccode-build-conda -m mcstas -s $PWD/src -b $PWD/build_mcstas
 
+    - name: Validate build output
+      id: build-validation
+      if: always()
+      run: |
+           set -e
+           set -u
+           set -x
+           if [ "$RUNNER_OS" == "Windows" ];
+           then
+             echo "Validating Windows build output..."
+             echo "CONDA_PREFIX: $CONDA_PREFIX"
+             echo "Checking for mcstas executable..."
+             test -f ${CONDA_PREFIX}/bin/mcstas || test -f ${CONDA_PREFIX}/bin/mcstas.bat || { echo "ERROR: mcstas not found"; exit 1; }
+             echo "Checking for mctest executable..."
+             test -f ${CONDA_PREFIX}/bin/mctest.bat || { echo "ERROR: mctest.bat not found"; ls -la ${CONDA_PREFIX}/bin/ | grep -i mctest || echo "No mctest found"; exit 1; }
+           else
+             echo "Validating Unix build output..."
+             test -f ${CONDA_PREFIX}/bin/mcstas || { echo "ERROR: mcstas not found"; exit 1; }
+             test -f ${CONDA_PREFIX}/bin/mctest || { echo "ERROR: mctest not found"; exit 1; }
+           fi
+
     - name: Post install openmpi hacks macOS
       id: post-install-openmpi-hacks-macOS
       if: runner.os == 'macOS' 
@@ -225,6 +246,17 @@ jobs:
            export MCTEST_EXECUTABLE="mctest"
            export PERMISSIVE=" "
            export PATH=${PATH}:${PWD}/install_mcstas/bin/:${PWD}/install_mcstas/mcstas/3.99.99/bin/
+           
+           if [ "$RUNNER_OS" == "Windows" ];
+           then
+             echo "Windows build - debugging environment:"
+             echo "PATH: $PATH"
+             echo "CONDA_PREFIX: $CONDA_PREFIX"
+             echo "Available mctest files:"
+             find ${CONDA_PREFIX}/bin/ -name "*mctest*" -type f || echo "No mctest found"
+             ls -la ${CONDA_PREFIX}/bin/ | grep -i mctest || echo "No mctest in bin directory"
+           fi
+           
            # Check if any instr files were modified during last commit
            cd src
            export CHANGEDCOMPS=`git diff --name-only HEAD HEAD~1| grep \.comp\$ | grep mcstas-comps | xargs -n1 basename | sed s/\.comp//g | xargs echo`
@@ -239,9 +271,9 @@ jobs:
                  if [ "$NUMMATCH" -gt "0" ];
                  then
                    if [ "$RUNNER_OS" != "Windows" ]; then
-                     mctest --mpi=2 --testdir run_${comp} --comp=${comp} --suffix=CHANGES_${{ matrix.mpi }} $PERMISSIVE --verbose
+                     mctest --mpi=2 --testdir run_${comp} --comp=${comp} --suffix=CHANGES_${{ matrix.mpi }} $PERMISSIVE --verbose || { echo "mctest failed with exit code $?"; exit 1; }
                    else
-                     mctest.bat --mpi=2 --testdir run_${comp} --comp=${comp} --suffix=CHANGES_${{ matrix.mpi }}  $PERMISSIVE --verbose
+                     mctest.bat --mpi=2 --testdir run_${comp} --comp=${comp} --suffix=CHANGES_${{ matrix.mpi }}  $PERMISSIVE --verbose || { echo "mctest.bat failed with exit code $?"; exit 1; }
                    fi
                  else
                    echo No matching tests found
@@ -272,10 +304,10 @@ jobs:
              fi
              mkdir run_mctest && cd run_mctest
              if [ "$RUNNER_OS" != "Windows" ]; then
-               mctest --mpi=2 --testdir $PWD $SCOPE --suffix=CHANGES_${{ matrix.mpi }} $PERMISSIVE
+               mctest --mpi=2 --testdir $PWD $SCOPE --suffix=CHANGES_${{ matrix.mpi }} $PERMISSIVE || { echo "mctest failed with exit code $?"; exit 1; }
                mcviewtest --nobrowse $PWD
              else
-               mctest.bat --mpi=2 --testdir $PWD $SCOPE --suffix=CHANGES_${{ matrix.mpi }}  $PERMISSIVE
+               mctest.bat --mpi=2 --testdir $PWD $SCOPE --suffix=CHANGES_${{ matrix.mpi }}  $PERMISSIVE || { echo "mctest.bat failed with exit code $?"; exit 1; }
                mcviewtest.bat --nobrowse $PWD
              fi
            fi
@@ -303,4 +335,4 @@ jobs:
       uses: mxschmitt/action-tmate@v3
       if: always() && (inputs.manual-debugging == true)
       with:
-        limit-access-to-actor: true
+        limit-access-to-actor: true

mcstas-comps/examples/Tests_samples/Test_PowderN/Test_PowderN.instr

@@ -20,6 +20,7 @@
 * %Example: lambda=1 directbeam=1 SPLITS=5 Detector: Sph_mon_I=4.77847e+09
 * %Example: lambda=1 directbeam=1 SPLITS=10 Detector: Sph_mon_I=4.77847e+09
 * %Example: lambda=1 directbeam=1 SPLITS=20 Detector: Sph_mon_I=4.77847e+09
+* %Example: lambda=5 reflections="stdlib::ZnO_sg186_ZincOxide.ncmat;temp=300K" directbeam=1 SPLITS=20 Detector: Sph_mon_I=2.03816e+8
 *
 * %Parameters
 * lambda:     [Angs] Wavelength emitted from source, 1% wl-interval around.