Merge pull request #19 from ccdc-opensource/xmas_updates

Xmas updates

.devcontainer/Dockerfile

@@ -0,0 +1,29 @@
+FROM ubuntu:20.04
+
+RUN apt-get update && \
+  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
+    curl ca-certificates gpg && \
+  rm -rf /var/lib/apt/lists/*
+
+# repository to install Intel(R) oneAPI Libraries
+RUN curl -fsSL https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB | gpg --dearmor - | tee /usr/share/keyrings/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.gpg >/dev/null
+RUN echo "deb [signed-by=/usr/share/keyrings/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.gpg] https://apt.repos.intel.com/oneapi all main" > /etc/apt/sources.list.d/oneAPI.list
+
+# repository to install up to date cmake
+RUN curl -fsSL https://apt.kitware.com/keys/kitware-archive-latest.asc | gpg --dearmor - | tee /usr/share/keyrings/kitware-archive-keyring.gpg >/dev/null
+RUN echo "deb [signed-by=/usr/share/keyrings/kitware-archive-keyring.gpg] https://apt.kitware.com/ubuntu/ focal main" > /etc/apt/sources.list.d/kitware.list
+
+RUN apt-get update && \
+  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
+    curl ca-certificates gpg-agent software-properties-common openssh-client \
+    build-essential pkg-config \
+    \
+    git ninja-build cmake \
+    \
+    libx11-dev libxss-dev libxxf86vm-dev libxkbfile-dev libxv-dev libmotif-dev libxmu-dev libxinerama-dev \
+    \
+    intel-oneapi-compiler-fortran gfortran \
+    && \
+  rm -rf /var/lib/apt/lists/*
+
+ENV LANG=C.UTF-8

.devcontainer/devcontainer.json

@@ -0,0 +1,24 @@
+{
+    "name": "linux environment for developing dash, works on linux hosts only due to use of X11 files",
+    "dockerFile": "Dockerfile",
+    "postCreateCommand": "bash .devcontainer/fetch-winteracter.sh",
+    "extensions": [
+        "ms-vscode.cpptools",
+        "ms-vscode.cmake-tools",
+        "intel-corporation.oneapi-gdb-debug",
+        "krvajalm.linter-gfortran",
+        "mhutchie.git-graph"
+    ],
+    "containerEnv": {
+        "ARTIFACTORY_API_KEY": "${localEnv:ARTIFACTORY_API_KEY}",
+        "DISPLAY": "unix:0"
+    },
+    "mounts": [
+        "source=/tmp/.X11-unix,target=/tmp/.X11-unix,type=bind,consistency=cached"
+    ],
+    "runArgs": [
+        "--cap-add=SYS_PTRACE",
+        "--security-opt",
+        "seccomp=unconfined"
+    ],
+}

.devcontainer/fetch-winteracter.sh

@@ -0,0 +1,11 @@
+if [[ "$ARTIFACTORY_API_KEY" != "" ]]
+then
+    echo "Fething winteracter from repository"
+    mkdir -p /opt/winteracter
+    pushd /opt/winteracter
+    curl -H "X-JFrog-Art-Api:$ARTIFACTORY_API_KEY" -LO "https://artifactory.ccdc.cam.ac.uk/artifactory/dash-private-dependencies/winteracter-linux-14.10d.tar.bz2"
+    curl -H "X-JFrog-Art-Api:$ARTIFACTORY_API_KEY" -LO "https://artifactory.ccdc.cam.ac.uk/artifactory/dash-private-dependencies/xwint_rc_14_10e.tar.gz"
+    tar jxf winteracter-linux-14.10d.tar.bz2
+    pushd winteracter-linux-14.10d
+    tar zxf ../xwint_rc_14_10e.tar.gz
+fi

.devcontainer/gdb-oneapi

@@ -0,0 +1,7 @@
+#!/bin/bash
+# a script that can be used in the devcontainer to start intel's gdb
+# by setting "miDebuggerPath": "${workspaceFolder}/.devcontainer/gdb-oneapi",
+# in the launch.json file
+
+source /opt/intel/oneapi/setvars.sh
+gdb-oneapi $@

.gitattributes

@@ -0,0 +1,35 @@
+*.dat text eol=lf
+*.dsl text eol=lf
+*.duff text eol=lf
+*.f90 text eol=lf
+*.F90 text eol=lf
+*.hcv text eol=lf
+*.inc text eol=lf
+*.INC text eol=lf
+*.json text eol=lf
+*.md text eol=lf
+*.mol2 text eol=lf
+*.pik text eol=lf
+*.ps1 text eol=lf
+*.rc text eol=lf
+*.sdi text eol=lf
+*.sh text eol=lf
+*.tcl text eol=lf
+*.tem text eol=lf
+*.tic text eol=lf
+*.txt text eol=lf
+*.xye text eol=lf
+*.zmatrix text eol=lf
+
+wsl-vagrant text eol=lf
+Vagrantfile text eol=lf
+
+*.bmp -text
+*.BMP -text
+*.dash -text
+*.gif -text
+*.icns -text
+*.ico -text
+*.png -text
+*.raw -text
+*.tif -text

.gitignore

@@ -2,3 +2,7 @@ bld
 build
 docs_dash_files
 .vs
+.vagrant
+install
+*.mod
+winteracter-linux*.tar.bz2

.vscode/launch.json

@@ -0,0 +1,31 @@
+{
+    "configurations": [
+        {
+            "name": "Run dash",
+            "type": "cppdbg",
+            "request": "launch",
+            "args": [],
+            "stopAtEntry": false,
+            "cwd": "${workspaceFolder}/install/bin",
+            "environment": [],
+            "linux": {
+                "program": "${workspaceFolder}/install/bin/DASH",
+                "externalConsole": false,
+                "MIMode": "gdb",
+                "miDebuggerPath": "${workspaceFolder}/.devcontainer/gdb-oneapi",
+                "setupCommands": [
+                    {
+                        "description": "Enable pretty-printing for gdb",
+                        "text": "-enable-pretty-printing",
+                        "ignoreFailures": true
+                    },
+                    {
+                        "description": "Disable target async",
+                        "text": "set target-async off",
+                        "ignoreFailures": true
+                    }
+                ]
+            }
+        }
+    ]
+}

.vscode/settings.json

@@ -0,0 +1,3 @@
+{
+    "cmake.configureOnOpen": false
+}