vm spec added cpus and memory, provision script and spack configs

Vagrantfile

@@ -48,15 +48,18 @@ Vagrant.configure("2") do |config|
   # Provider-specific configuration so you can fine-tune various
   # backing providers for Vagrant. These expose provider-specific options.
   # Example for VirtualBox:
-  #
+
-  # config.vm.provider "virtualbox" do |vb|
+  config.vm.provider "virtualbox" do |vb|
-  #   # Display the VirtualBox GUI when booting the machine
+    # Display the VirtualBox GUI when booting the machine
     # vb.gui = true
-  #
+
-  #   # Customize the amount of memory on the VM:
+    # Customize the amount of memory on the VM:
-  #   vb.memory = "1024"
+    vb.cpus = "4"
-  # end
+
-  #
+    # Customize the amount of memory on the VM:
+    vb.memory = "8192"
+  end
+
   # View the documentation for the provider you are using for more
   # information on available options.
 
@@ -67,4 +70,7 @@ Vagrant.configure("2") do |config|
   #   apt-get update
   #   apt-get install -y apache2
   # SHELL
+
+  config.vm.provision "shell", path: "provision.sh"
+
 end

provision.sh

@@ -0,0 +1,25 @@
+yum -y install http://build.openhpc.community/OpenHPC:/1.3/CentOS_7/x86_64/ohpc-release-1.3-1.el7.x86_64.rpm
+yum -y install ohpc-base
+yum -y install kernel-devel
+yum -y install lmod-ohpc
+
+yum -y install ohpc-autotools
+yum -y install EasyBuild-ohpc
+yum -y install hwloc-ohpc
+yum -y install spack-ohpc
+yum -y install valgrind-ohpc
+
+yum -y install gnu-compilers-ohpc
+yum -y install gnu-compilers-ohpc
+yum -y install openmpi-gnu-ohpc
+
+yum -y install gnu7-compilers-ohpc
+yum -y install gnu7-compilers-ohpc
+yum -y install openmpi-gnu7-ohpc
+yum -y install openmpi3-gnu7-ohpc
+
+yum -y install gnu8-compilers-ohpc
+yum -y install gnu8-compilers-ohpc
+yum -y install openmpi3-gnu8-ohpc
+
+yum -y install git vim

spack/compilers.yaml

@@ -0,0 +1,40 @@
+compilers:
+- compiler:
+    environment: {}
+    extra_rpaths: []
+    flags: {}
+    modules: [gnu]
+    operating_system: centos7
+    paths:
+      cc: /opt/ohpc/pub/compiler/gcc/5.4.0/bin/gcc
+      cxx: /opt/ohpc/pub/compiler/gcc/5.4.0/bin/g++
+      f77: /opt/ohpc/pub/compiler/gcc/5.4.0/bin/gfortran
+      fc: /opt/ohpc/pub/compiler/gcc/5.4.0/bin/gfortran
+    spec: gcc@5.4.0
+    target: x86_64
+- compiler:
+    environment: {}
+    extra_rpaths: []
+    flags: {}
+    modules: [gnu7]
+    operating_system: centos7
+    paths:
+      cc: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/gcc
+      cxx: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/g++
+      f77: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/gfortran
+      fc: /opt/ohpc/pub/compiler/gcc/7.3.0/bin/gfortran
+    spec: gcc@7.3.0
+    target: x86_64
+- compiler:
+    environment: {}
+    extra_rpaths: []
+    flags: {}
+    modules: [gnu8]
+    operating_system: centos7
+    paths:
+      cc: /opt/ohpc/pub/compiler/gcc/8.3.0/bin/gcc
+      cxx: /opt/ohpc/pub/compiler/gcc/8.3.0/bin/g++
+      f77: /opt/ohpc/pub/compiler/gcc/8.3.0/bin/gfortran
+      fc: /opt/ohpc/pub/compiler/gcc/8.3.0/bin/gfortran
+    spec: gcc@8.3.0
+    target: x86_64

spack/config.yaml

@@ -0,0 +1,11 @@
+config:
+  # This is the path to the root of the Spack install tree.
+  # You can use $spack here to refer to the root of the spack instance.
+  install_tree: /opt/ohpc/pub/spack/opt
+
+  # Locations where different types of modules should be installed.
+  module_roots:
+    tcl:    /opt/ohpc/pub/spack/modules
+    lmod:   /opt/ohpc/pub/spack/lmod
+    dotkit: /opt/ohpc/pub/spack/dotkit
+

spack/packages.yaml

@@ -0,0 +1,40 @@
+packages:
+  gcc:
+    modules:
+      gcc@5.4.0: gnu
+      gcc@7.3.0: gnu7
+      gcc@8.3.0: gnu8
+    buildable: False
+  openmpi:
+    paths:
+      openmpi@1.10.7%gcc@5.4.0: /opt/ohpc/pub/mpi/openmpi-gnu/1.10.7
+      openmpi@1.10.7%gcc@7.3.0: /opt/ohpc/pub/mpi/openmpi-gnu7/1.10.7
+      openmpi@3.1.0%gcc@7.3.0: /opt/ohpc/pub/mpi/openmpi3-gnu7/3.1.0
+      openmpi@3.1.4%gcc@8.3.0: /opt/ohpc/pub/mpi/openmpi3-gnu8/3.1.4
+    buildable: False
+  automake:
+    modules:
+      automake@1.16: autotools
+    buildable: False
+  autoconf:
+    modules:
+      autoconf@2.69: autotools
+    buildable: False
+  cmake:
+    modules:
+      cmake@3.14.3: cmake
+    buildable: False
+  openssl:
+    paths:
+      openssl@1.0.2k-fips: /bin
+    buildable: False
+  netlib-scalapack:
+    paths:
+      netlib-scalapack@2.0.2%gcc@5.4.0^openmpi@1.10.7^openblas@0.2.20: /opt/ohpc/pub/libs/gnu/openmpi/scalapack/2.0.2
+      # netlib-scalapack@2.0.2%gcc@8.3.0^openmpi@3.1.4^openblas@0.3.5: /opt/ohpc/pub/libs/gnu8/openmpi3/scalapack/2.0.2
+    # buildable: False
+  openblas:
+    paths:
+      openblas@0.2.20%gcc@5.4.0: /opt/ohpc/pub/libs/gnu/openblas/0.2.20
+      # openblas@0.3.5%gcc@8.3.0: /opt/ohpc/pub/libs/gnu8/openblas/0.3.5
+    # buildable: False