"installing" 5.0.2 + more output for the tests

plumed · May 28, 2024 · 286834f · 286834f
1 parent 820d195
commit 286834f
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Showing 2 changed files with 16 additions and 3 deletions.
diff --git 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
@@ -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