Mono bent complex update of header, and extension of string parsing system

.github/workflows/mcstas-autobuild.yml

@@ -35,12 +35,12 @@ jobs:
 
     steps:
     - name: Checkout
-      uses: actions/checkout@v5
+      uses: actions/checkout@v6
       with:
         path: McCode
 
     - name: Setup python
-      uses: actions/setup-python@v5
+      uses: actions/setup-python@v6
       with:
         python-version: ${{ matrix.python }}
 
@@ -122,7 +122,7 @@ jobs:
 
     - name: 'Upload Artifact'
       id: tar-upload
-      uses: actions/upload-artifact@v4
+      uses: actions/upload-artifact@v6
       if: always()
       with:
         name: mcstas-artefacts-${{ matrix.os }}

.github/workflows/mcstas-basictest.yml

@@ -20,7 +20,7 @@ jobs:
         include:
           - { os: ubuntu-24.04,   CC: gcc-13,   CXX: g++-13,     python: '3.12', mpi: 'openmpi' }
           - { os: ubuntu-24.04,   CC: clang,    CXX: clang++,    python: '3.12', mpi: 'openmpi' }
-          - { os: windows-11-arm, CC: cl.exe,   CXX: cl.exe,     python: "3.13", mpi: 'msmpi'   }
+          #- { os: windows-11-arm, CC: cl.exe,   CXX: cl.exe,     python: "3.13", mpi: 'msmpi'   }
           - { os: windows-latest, CC: gcc.exe,   CXX: g++.exe,     python: "3.13", mpi: 'msmpi'   }
 
     name: ${{ matrix.os }}.${{ matrix.CC }}.${{ matrix.mpi }}.python-${{ matrix.python }}
@@ -34,13 +34,13 @@ jobs:
 
     steps:
     - name: Checkout
-      uses: actions/checkout@v5
+      uses: actions/checkout@v6
       with:
         path: src
         fetch-depth: 2
 
     - name: Setup python
-      uses: actions/setup-python@v5
+      uses: actions/setup-python@v6
       with:
         python-version: ${{ matrix.python }}
 
@@ -81,7 +81,7 @@ jobs:
         choco install winflexbison3
         choco install wget
         if [ "$CC" == "gcc.exe" ]; then choco install mingw; fi
-        pip install mslex PyYAML ply ncrystal mcpl mcpl-extra
+        pip install mslex PyYAML ply ncrystal mcpl mcpl-extra psutil
 
     - name: Setup (Windows Intel)
       id: setup-Windows-intel
@@ -240,11 +240,11 @@ jobs:
            set -x
            if [ "$RUNNER_OS" == "macOS" ];
            then
-             python3 -mpip install PyYAML pyaml ply McStasScript ncrystal mcpl mcpl-extra jinja2 --break-system-packages
+             python3 -mpip install PyYAML pyaml ply McStasScript ncrystal mcpl mcpl-extra jinja2 psutil --break-system-packages
            fi
            if [ "$RUNNER_OS" == "Linux" ];
            then
-             python3 -mpip install PyYAML ply McStasscript ncrystal mcpl mcpl-extra jinja2
+             python3 -mpip install PyYAML ply McStasscript ncrystal mcpl mcpl-extra jinja2 psutil
            fi
 
     # Start of Unix tests
@@ -617,7 +617,7 @@ jobs:
 
     - name: 'Upload Artifact'
       id: tar-upload
-      uses: actions/upload-artifact@v4
+      uses: actions/upload-artifact@v6
       if: always()
       with:
         name: mcstas-artefacts-${{ matrix.os }}.${{ matrix.CC }}.${{ matrix.mpi }}.python-${{ matrix.python }}

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

@@ -44,7 +44,7 @@ jobs:
       if: runner.os == 'Windows'
       uses: ilammy/msvc-dev-cmd@v1
 
-    - uses: conda-incubator/setup-miniconda@v3
+    - uses: conda-incubator/setup-miniconda@v3.3.0
       with:
         activate-environment: mcstas
         auto-update-conda: true
@@ -293,7 +293,7 @@ jobs:
 
     - name: 'Upload Artifact'
       id: tar-upload
-      uses: actions/upload-artifact@v4
+      uses: actions/upload-artifact@v6
       if: always()
       with:
         name: mcstas-artefacts-${{ matrix.os }}.${{ matrix.mpi }}.python-${{ matrix.python }}

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

@@ -41,7 +41,7 @@ jobs:
       if: runner.os == 'Windows'
       uses: ilammy/msvc-dev-cmd@v1
 
-    - uses: conda-incubator/setup-miniconda@v3
+    - uses: conda-incubator/setup-miniconda@v3.3.0
       with:
         activate-environment: mcstas
         auto-update-conda: true
@@ -123,7 +123,7 @@ jobs:
 
     - name: 'Upload Artifact'
       id: tar-upload
-      uses: actions/upload-artifact@v4
+      uses: actions/upload-artifact@v6
       if: always()
       with:
         name: mcstas-artefacts-${{ matrix.os }}.${{ matrix.mpi }}.python-${{ matrix.python }}

.github/workflows/mcxtrace-autobuild.yml

@@ -35,12 +35,12 @@ jobs:
 
     steps:
     - name: Checkout
-      uses: actions/checkout@v5
+      uses: actions/checkout@v6
       with:
         path: McCode
 
     - name: Setup python
-      uses: actions/setup-python@v5
+      uses: actions/setup-python@v6
       with:
         python-version: ${{ matrix.python }}
 
@@ -122,7 +122,7 @@ jobs:
 
     - name: 'Upload Artifact'
       id: tar-upload
-      uses: actions/upload-artifact@v4
+      uses: actions/upload-artifact@v6
       if: always()
       with:
         name: mcxtrace-artefacts-${{ matrix.os }}

.github/workflows/mcxtrace-basictest.yml

@@ -20,7 +20,7 @@ jobs:
         include:
           - { os: ubuntu-24.04,  CC: gcc-13,   CXX: g++-13,     python: '3.12', mpi: 'openmpi' }
           - { os: ubuntu-24.04,  CC: clang,    CXX: clang++,    python: '3.12', mpi: 'openmpi'   }
-          - { os: windows-11-arm, CC: cl.exe,   CXX: cl.exe,     python: "3.13", mpi: 'msmpi'   }
+          #- { os: windows-11-arm, CC: cl.exe,   CXX: cl.exe,     python: "3.13", mpi: 'msmpi'   }
           - { os: windows-latest, CC: gcc.exe,   CXX: g++.exe,     python: "3.13", mpi: 'msmpi'   }
 
     name: ${{ matrix.os }}.${{ matrix.CC }}.${{ matrix.mpi }}.python-${{ matrix.python }}
@@ -34,13 +34,13 @@ jobs:
 
     steps:
     - name: Checkout
-      uses: actions/checkout@v5
+      uses: actions/checkout@v6
       with:
         path: src
         fetch-depth: 2
 
     - name: Setup python
-      uses: actions/setup-python@v5
+      uses: actions/setup-python@v6
       with:
         python-version: ${{ matrix.python }}
 
@@ -89,7 +89,7 @@ jobs:
         choco install winflexbison3
         choco install wget
         if [ "$CC" == "gcc.exe" ]; then choco install mingw; fi
-        pip install mslex PyYAML ply mcpl mcpl-extra
+        pip install mslex PyYAML ply mcpl mcpl-extra psutil
 
     - name: Setup (Windows Intel)
       id: setup-Windows-intel
@@ -248,11 +248,11 @@ jobs:
            set -x
            if [ "$RUNNER_OS" == "macOS" ];
            then
-             python3 -mpip install PyYAML pyaml ply McStasScript mcpl mcpl-extra jinja2 --break-system-packages
+             python3 -mpip install PyYAML pyaml ply McStasScript mcpl mcpl-extra jinja2 psutil --break-system-packages
            fi
            if [ "$RUNNER_OS" == "Linux" ];
            then
-             python3 -mpip install PyYAML ply McStasscript mcpl mcpl-extra jinja2
+             python3 -mpip install PyYAML ply McStasscript mcpl mcpl-extra jinja2 psutil
            fi
 
     # Start of Unix tests
@@ -533,7 +533,7 @@ jobs:
 
     - name: 'Upload Artifact'
       id: tar-upload
-      uses: actions/upload-artifact@v4
+      uses: actions/upload-artifact@v6
       if: always()
       with:
         name: mcxtrace-artefacts-${{ matrix.os }}.${{ matrix.CC }}.${{ matrix.mpi }}.python-${{ matrix.python }}

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

@@ -44,7 +44,7 @@ jobs:
       if: runner.os == 'Windows'
       uses: ilammy/msvc-dev-cmd@v1
 
-    - uses: conda-incubator/setup-miniconda@v3
+    - uses: conda-incubator/setup-miniconda@v3.3.0
       with:
         activate-environment: mcxtrace
         auto-update-conda: true
@@ -274,7 +274,7 @@ jobs:
 
     - name: 'Upload Artifact'
       id: tar-upload
-      uses: actions/upload-artifact@v4
+      uses: actions/upload-artifact@v6
       if: always()
       with:
         name: mcxtrace-artefacts-${{ matrix.os }}.${{ matrix.mpi }}.python-${{ matrix.python }}

.github/workflows/mcxtrace-conda-testsuite.yml

@@ -41,7 +41,7 @@ jobs:
       if: runner.os == 'Windows'
       uses: ilammy/msvc-dev-cmd@v1
 
-    - uses: conda-incubator/setup-miniconda@v3
+    - uses: conda-incubator/setup-miniconda@v3.3.0
       with:
         activate-environment: mcxtrace
         auto-update-conda: true
@@ -123,7 +123,7 @@ jobs:
 
     - name: 'Upload Artifact'
       id: tar-upload
-      uses: actions/upload-artifact@v4
+      uses: actions/upload-artifact@v6
       if: always()
       with:
         name: mcxtrace-artefacts-${{ matrix.os }}.${{ matrix.mpi }}.python-${{ matrix.python }}

cmake/support/run-scripts/mccode_errmsg.bat.in

@@ -3,4 +3,4 @@
 
 @set ERRMSG="@FLAVOR@: %*"
 
-@python -c "import os;import PyQt5.QtWidgets as w; app = w.QApplication(['infobox']); w.QMessageBox.information(None, 'Infobox', os.getenv('ERRMSG'))"
+@python -c "import os;import qtpy.QtWidgets as w; app = w.QApplication(['infobox']); w.QMessageBox.information(None, 'Infobox', os.getenv('ERRMSG'))"

cmake/support/run-scripts/mccode_errmsg.in

@@ -10,4 +10,4 @@ export PATH=$PREFIX/@DEST_BINDIR@:$PATH
 ERRMSG=`echo $* | sed s/\ /\\ /g`
 export ERRMSG="@FLAVOR@: $ERRMSG"
 
-python3 -c "import os;import PyQt5.QtWidgets as w; app = w.QApplication(['infobox']); w.QMessageBox.information(None, 'Infobox', os.getenv('ERRMSG'))"
+python3 -c "import os;import qtpy.QtWidgets as w; app = w.QApplication(['infobox']); w.QMessageBox.information(None, 'Infobox', os.getenv('ERRMSG'))"

common/lib/share/mccode-r.c

@@ -40,6 +40,8 @@
 /** Include header files to avoid implicit declarations (not allowed on LLVM) */
 #include <ctype.h>
 #include <sys/types.h>
+#include <dirent.h>
+#include <errno.h>
 
 // UNIX specific headers (non-Windows)
 #if defined(__unix__) || defined(__APPLE__)
@@ -61,6 +63,7 @@ static   long mcstartdate            = 0; /* start simulation time */
 static   int  mcdisable_output_files = 0; /* --no-output-files */
 mcstatic int  mcgravitation          = 0; /* use gravitation flag, for PROP macros */
 mcstatic int  mcusedefaults          = 0; /* assume default value for all parameters */
+mcstatic int  mcappend               = 0; /* flag to allow append mode on datasets/directories */
 mcstatic int  mcdotrace              = 0; /* flag for --trace and messages for DISPLAY */
 mcstatic int  mcnexus_embed_idf      = 0; /* flag to embed xml-formatted IDF file for Mantid */
 #pragma acc declare create ( mcdotrace )
@@ -2731,15 +2734,24 @@ mcuse_dir(char *dir)
 #ifdef USE_MPI
   if(mpi_node_rank == mpi_node_root) {
 #endif
+    int exists=0;
+    DIR* handle = opendir(dirname);
+    if (handle) {
+      /* Directory exists. */
+      closedir(handle);
+      exists=1;
+    }
     if(mkdir(dirname, 0777)) {
 #ifndef DANSE
-      fprintf(stderr, "Error: unable to create directory '%s' (mcuse_dir)\n", dir);
-      fprintf(stderr, "(Maybe the directory already exists?)\n");
+      if(!mcappend) {
+	fprintf(stderr, "Error: unable to create directory '%s' (mcuse_dir)\n", dir);
+	fprintf(stderr, "(Maybe the directory already exists?)\n");
 #endif
 #ifdef USE_MPI
-      MPI_Abort(MPI_COMM_WORLD, -1);
+	MPI_Abort(MPI_COMM_WORLD, -1);
 #endif
-    exit(-1);
+	exit(-1);
+      }
     }
 #ifdef USE_MPI
     }
@@ -4492,6 +4504,7 @@ mchelp(char *pgmname)
 "  -s SEED   --seed=SEED      Set random seed (must be != 0)\n"
 "  -n COUNT  --ncount=COUNT   Set number of particles to simulate.\n"
 "  -d DIR    --dir=DIR        Put all data files in directory DIR.\n"
+"  -a        --append         Append data files to those in directory DIR.\n"	  
 "  -t        --trace          Enable trace of " MCCODE_PARTICLE "s through instrument.\n"
 "                             (Use -t=2 or --trace=2 for modernised mcdisplay rendering)\n"
 "  -g        --gravitation    Enable gravitation for all trajectories.\n"
@@ -4745,6 +4758,10 @@ mcparseoptions(int argc, char *argv[])
       usedir=&argv[i][2];
     else if(!strcmp("--dir", argv[i]) && (i + 1) < argc)
       usedir=argv[++i];
+    else if(!strncmp("-a", argv[i], 2))
+      mcappend = 1;
+    else if(!strcmp("--append", argv[i]))
+      mcappend = 1;
     else if(!strncmp("--dir=", argv[i], 6))
       usedir=&argv[i][6];
     else if(!strcmp("-h", argv[i]))

devel/bin/mccode-create-conda-yml

@@ -21,17 +21,17 @@ def create_deplist( cfg ):
         return deps
 
     #The rest are run-time deps:
-    deps += ['python','c-compiler','pyaml','numpy']
+    deps += ['python','c-compiler','pyaml','numpy','psutil']
     if cfg.is_unix:
         deps += ['bash']
     if cfg.is_win:
         deps += ['mslex']
 
-    pyqt_with_version = 'pyqt >=5.10'
+    pyqt_with_version = 'pyqt >=5'
     if cfg.include_mcgui:
-        deps += [pyqt_with_version,'qscintilla2']
+        deps += [pyqt_with_version, 'qscintilla2']
     if cfg.include_vis:
-        deps += ['matplotlib',
+        deps += ['matplotlib-base',
                  'tornado >=5',
                  'scipy','pillow','pyqtgraph',
                  pyqt_with_version,

environment.yml

@@ -15,16 +15,17 @@ dependencies:
   - compilers
   - gsl
   - pyaml
+  - psutil
   - ply
-  - matplotlib
+  - matplotlib-base
   - numpy
   - tornado
   - scipy
   - pillow
   - pyqtgraph
   - pyqt
   - qtpy
-  - qscintilla2
+#  - qscintilla2
   - nexus
   - nexusformat
   - nexpy