Merge branch 'v2.8' into v2.9

plumed · May 15, 2024 · cdfa322 · cdfa322 · PlumedBot · May 15, 2024
2 parents ad252bd + 0a6927d
commit cdfa322
Showing 1 changed file with 5 additions and 3 deletions.
diff --git a/regtest/basic/rt32b/config b/regtest/basic/rt32b/config
@@ -2,9 +2,11 @@ type=driver
 arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz ala12_trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f"
 
 function plumed_custom_skip() {
-   if test -n "$PLUMED_PYTHON_SELECT" ; then
-      export PLUMED_PYTHON_BIN="$PLUMED_PYTHON_SELECT"
-      return 1
+   if test -n "$PYTHON_BIN" ; then
+     if $PYTHON_BIN -c "import MDAnalysis; import mdtraj" 2>/dev/null ; then
+       export PLUMED_PYTHON_BIN=$PYTHON_BIN
+       return 1
+     fi
    fi
    for python_bin in python3 python3.12 python3.11 python3.10 python3.9 python3.8 python3.7 python ; do
      if $python_bin -c "import MDAnalysis; import mdtraj" 2>/dev/null ; then