adding openmc.

src/Argo/Args.hs

@@ -21,6 +21,7 @@ data StackArgs = StackArgs
   , workingDirectory       :: WorkingDirectory
   , shareDir               :: ShareDir
   , manifestName           :: ManifestName
+  , preludeCommand         :: PreludeCommand
   , daemon                 :: ProcessBehavior
   , cmdrun                 :: ProcessBehavior
   , cmdlisten              :: ProcessBehavior
@@ -39,6 +40,7 @@ newtype AppName = AppName Text deriving (IsString, Show, Read)
 newtype ContainerName = ContainerName Text deriving (IsString, Show, Read)
 newtype ShareDir = ShareDir FilePath deriving (IsString, Show)
 newtype ManifestName = ManifestName FilePath deriving (IsString, Show)
+newtype PreludeCommand = PreludeCommand Text deriving (IsString, Show, Read)
 data ProcessBehavior =
      Test TestText StdOutLog StdErrLog
    | JustRun StdOutLog StdErrLog
@@ -67,6 +69,7 @@ instance Default StackArgs where
     , workingDirectory = WorkingDirectory "_output"
     , shareDir = ShareDir "/tmp"
     , manifestName = ManifestName "basic.json"
+    , preludeCommand = PreludeCommand ""
     , daemon = DontRun
     , cmdrun = DontRun
     , cmdlisten = DontRun
@@ -117,6 +120,13 @@ parseExtendStackArgs sa = do
     <> showDefault
     <> value (manifestName sa)
     )
+  preludeCommand <- strOption
+    (  long "prelude_command"
+    <> metavar "COMMAND"
+    <> help "Command to run before executing the stack (after stack setup)"
+    <> showDefault
+    <> value (preludeCommand sa)
+    )
   daemon <- behaviorOption
     (  long "daemon"
     <> metavar "BEHAVIOR"

src/Argo/Stack.hs

@@ -7,6 +7,7 @@
 module Argo.Stack where
 import           Argo.Args
 
+import           Data.Coerce                    ( coerce )
 import           Turtle
 import           Turtle.Shell
 import           Prelude                 hiding ( FilePath )
@@ -54,13 +55,16 @@ prepareDaemon out stdErr test = do
   printInfo $ format ("Copied the configurator to " % fp) confPath'
   printInfo $ format "Trying to sudo chown and chmod argo_nodeos_config"
   sudoPath <- liftIO $ pack <$> getEnv "SUDO"
-  verboseShell (format (s%" chown root:root " % fp) sudoPath confPath') empty >>= \case
-    ExitSuccess -> printInfo "Chowned argo_nodeos_config to root:root."
-    ExitFailure n ->
-      die ("Failed to set argo_nodeos_config permissions " <> repr n)
-  verboseShell (format (s%" chmod u+sw " % fp) sudoPath confPath') empty >>= \case
-    ExitSuccess   -> printInfo "Set the suid bit."
-    ExitFailure n -> die ("Setting suid bit failed with exit code " <> repr n)
+  verboseShell (format (s % " chown root:root " % fp) sudoPath confPath') empty
+    >>= \case
+          ExitSuccess -> printInfo "Chowned argo_nodeos_config to root:root."
+          ExitFailure n ->
+            die ("Failed to set argo_nodeos_config permissions " <> repr n)
+  verboseShell (format (s % " chmod u+sw " % fp) sudoPath confPath') empty
+    >>= \case
+          ExitSuccess -> printInfo "Set the suid bit."
+          ExitFailure n ->
+            die ("Setting suid bit failed with exit code " <> repr n)
   cleanContainers confPath' 1 2
   export "ARGO_NODEOS_CONFIG" (format fp confPath')
   return $ Instrumentation (P.proc "daemon" []) out stdErr test
@@ -122,7 +126,12 @@ cmdRunI (AppName app) args (ContainerName cn) (ShareDir md) (ManifestName mn) pb
   = Just (Run, )
     <*> processBehaviorToI
           (  P.proc "cmd"
-          $  ["run", "-u", T.unpack cn, encodeString $ md <> "manifests" </> mn, T.unpack app]
+          $  [ "run"
+             , "-u"
+             , T.unpack cn
+             , encodeString $ md <> "manifests" </> mn
+             , T.unpack app
+             ]
           ++ fmap (T.unpack . argToText) args
           )
           pb
@@ -210,6 +219,8 @@ runStack sa@StackArgs {..} = do
         ]
       ilist = catMaybes milist
 
+  _ <- inshell ((coerce preludeCommand) :: Text) empty
+
   if verbosity == Verbose
     then do
       printInfo "Starting the following processes:"

src/argotk.hs

@@ -51,6 +51,7 @@ data TestType =
   | TestSTREAM
   | RunAMG
   | RunQMCPack
+  | RunOpenMC
   | RunSTREAM
   | RunLAMMPS deriving (Enum,Bounded,Show)
 
@@ -194,6 +195,31 @@ configureTest = \case
                     |]
     , isTest = IsTest
     }
+  RunOpenMC ->
+    TestSpec
+      { stackArgsUpdate = \sa -> sa
+        { app = AppName "mpiexec"
+        , preludeCommand = PreludeCommand "cp $OPENMC_PWD/* ."
+        , args =
+          let tc = coerce (hwThreadCount sa):: Int
+          in
+          [ AppArg "mpiexec"
+           , AppArg "-n"
+           , AppArg $ repr tc
+           , AppArg "openmc"
+           ]
+        , manifestName         = "parallel.json"
+        , daemon               = daemonBehavior
+        , cmdrun               = runBehavior
+        , cmdlistenperformance = JustRun (StdOutLog "performance.csv")
+                                         (StdErrLog "performance.log")
+        , cmdlistenpower = JustRun (StdOutLog "power.csv") (StdErrLog "power.log")
+        , cmdlistenprogress    = JustRun (StdOutLog "progress.csv")
+                                         (StdErrLog "progress.log")
+        }
+      , description     = "Run QMCPACK in the argo stack."
+      , isTest          = NotTest
+      }
   RunQMCPack ->
     TestSpec
       { stackArgsUpdate = \sa -> sa