diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 353e0a7..8d1c976 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -106,6 +106,17 @@ jobs: plumed patch --engine qespresso-${{ matrix.qePlumedVersion }} -p make pw make install + - name: Install qe 5.0.2 + # qe 5.* does not make install + if: contains( matrix.qeVersion, '5.0.2' ) + run: | + prefix=$HOME/opt + cd $prefix + ln -s $HOME/q-e/PW/src/pw.x pw.x + ln -s $HOME/q-e/PW/src/generate_vdW_kernel_table.x generate_vdW_kernel_table.x + ln -s $HOME/q-e/S3DE/iotk/tools/iotk iotk + ln -s $HOME/q-e/S3DE/iotk/src/iotk_print_kinds.x iotk_print_kinds.x + ln -s $HOME/q-e/S3DE/iotk/src/iotk.x iotk.x - name: Check files run: | prefix=$HOME/opt diff --git a/run_tests.sh b/run_tests.sh index 4d93505..72cad50 100755 --- a/run_tests.sh +++ b/run_tests.sh @@ -1,5 +1,5 @@ #!/bin/bash - +exitcode=0 for testDir in test_Si test_H2O; do cd "${testDir}" || exit 1 @@ -17,14 +17,16 @@ for testDir in test_Si test_H2O; do echo FAILURE echo "Diff for ${file%.reference}:" echo "$out" - exit 1 + exitcode=1 } else echo FAILURE echo "FILE $new does not exist" - exit 1 + exitcode=1 fi done cd ../ done + +exit $exitcode