[WIP] Added support for ARCHER (Cray XC30).

archer.yaml

@@ -0,0 +1,2 @@
+extends:
+  - file: linux.yaml

base/base_package.yaml

@@ -44,6 +44,12 @@ post_process:
       - "check-ignore=.*\\.pyc\\$"
       - "check-ignore=.*\\.pyo\\$"
 
+  - name: insert_location
+    when: relocatable !=  True
+    after: [default]
+    hit:
+      - insert-location
+
 profile_links:
   - when: platform == 'Cygwin'
     name: copy_dlls

config.yaml

@@ -5,6 +5,38 @@ package_dirs:
 hook_import_dirs:
 - base
 
+build_stores:
+ - dir: ./bld
+
+
+## Location where temporary directories for building software are created.
+## Such directories are by default removed again once the build is done.
+
+build_temp: ./tmp
+
+
+## Locations of downloaded tarballs and git repositories.  A location
+## can either be a local filesystem, or a URL to an online, read-only
+## mirror. Only the first location, which should be a local directory,
+## will be written to.
+
+source_caches:
+ - dir: ./src
+## For additional source cache mirror:
+## - url: https://some.server.org/hashdist/src
+
+
+## The cache directory is used for misc. caching (e.g., probing of host
+## system).  The contents can always be wiped without resulting in rebuilds.
+
+cache: ./cache
+
+## The roots directory contains links to (links to) profiles. Anything
+## pointed to through here will not be deleted when garbage-collected.
+
+gc_roots: ./gcroots
+
+
 parameters:
   BASH: /bin/bash
   PROLOGUE: | # by default, PROLOGUE is a no-op

examples/proteus.archer.yaml

@@ -0,0 +1,73 @@
+# This profile file controls your <#> (HashDist) build environment.
+
+# In the future, we'll provide better incorporation of
+# automatic environment detection.  For now, have a look
+# at the YAML files in the top-level directory and choose
+# the most *specific* file that matches your environment.
+
+extends:
+- file: archer.yaml
+
+# The packages list specifies all the packages that you
+# require installed.  <#> will ensure that all packages
+# and their dependencies are installed when you build this
+# profile.
+
+parameters:
+  machine: CrayXC30
+  HOST_MPICC: cc
+  HOST_MPICXX: CC
+  HOST_MPIF77: ftn
+  HOST_MPIF90: ftn
+  HOST_MPIEXEC: aprun
+  PATH: |
+    /usr/bin:/bin:/usr/sbin:/sbin
+  PROLOGUE: |
+    source /opt/modules/default/init/bash; export MODULEPATH=/opt/cray/craype/default/modulefiles:/opt/cray/ari/modulefiles:/opt/cray/modulefiles:/opt/modulefiles:/cm/local/modulefiles:/cm/shared/modulefiles:/opt/modules/packages-archer; export MODULESHOME=/opt/modules/default; export MODULE_VERSION=3.2.10; export MODULE_VERSION_STACK=3.2.10; export CRAY_CPU_TARGET=ivybridge; echo "unloading modules"; module unload PrgEnv-cray; echo "loading modules"; module load PrgEnv-gnu; module load cray-mpich; module load cray-libsci; module load cray-tpsl; echo "setting default compilers"; export CC=gcc; export CXX=g++; export FC=gfortran; export F77=gfortran; export F90=gfortran; export CPP=cpp;
+  DYNAMIC_EXE_LINKER_FLAGS: -dynamic
+
+packages:
+  launcher:
+  cmake:
+  python:
+    host: false
+    build_with: |
+      openssl,bzip2,sqlite
+  blas:
+    use: host-libsci-blas
+  lapack:
+    use: host-libsci-lapack
+  daetk:
+  mpi:
+    use: host-mpi
+  mpi4py:
+  nose:
+  hdf5:
+  ipython:
+  matplotlib:
+  parmetis:
+    without_check: true
+  petsc:
+    version: 3.6.1
+    without_check: true
+    build_with: |
+      parmetis
+    download: |
+      ptscotch, superlu, superlu_dist, spooles, hypre, blacs, scalapack, mumps
+    coptflags: -O2
+    link: shared
+    debug: false
+  petsc4py:
+    version: 3.6.0
+    with_conf: true
+  pytables:
+  sphinx:
+  superlu:
+  sympy:
+  tetgen:
+  triangle:
+  memory_profiler:
+  scipy:
+    use: host-libsci-blas
+  h5py:
+  ode:

examples/proteus.lightning.gnu.yaml

@@ -0,0 +1,77 @@
+# This profile file controls your <#> (HashDist) build environment.
+
+# In the future, we'll provide better incorporation of
+# automatic environment detection.  For now, have a look
+# at the YAML files in the top-level directory and choose
+# the most *specific* file that matches your environment.
+
+extends:
+- file: suse.yaml
+
+# The packages list specifies all the packages that you
+# require installed.  <#> will ensure that all packages
+# and their dependencies are installed when you build this
+# profile.
+
+parameters:
+  machine: CrayXC30
+  HOST_MPICC: cc
+  HOST_MPICXX: CC
+  HOST_MPIF77: ftn
+  HOST_MPIF90: ftn
+  HOST_MPIEXEC: aprun
+  PATH: |
+    /usr/bin:/bin:/usr/sbin:/sbin
+  PROLOGUE: |
+    unset RCLOCAL_PRGENV; source /etc/bash.bashrc; source  /etc/bash.bashrc.local; module swap PrgEnv-cray PrgEnv-gnu; module load cray-mpich; module list; echo "setting default compilers"; export CC=gcc; export CXX=g++; export FC=gfortran; export F77=gfortran; export F90=gfortran; export CPP=cpp;
+  DYNAMIC_EXE_LINKER_FLAGS: -dynamic
+
+packages:
+  launcher:
+  cmake:
+  python:
+    host: false
+    build_with: |
+      openssl,bzip2,sqlite
+  blas:
+    use: host-libsci-blas
+  lapack:
+    use: host-libsci-lapack
+  daetk:
+  mpi:
+    use: host-mpi
+  mpi4py:
+  nose:
+  hdf5:
+  ipython:
+  matplotlib:
+  parmetis:
+    without_check: true
+  petsc:
+    version: 3.6.1
+    build_with: |
+      parmetis
+    download: |
+      ptscotch, superlu, superlu_dist, spooles, hypre, blacs, scalapack, mumps
+    coptflags: -O2
+    link: shared
+    debug: false
+  petsc4py:
+    version: 3.6.0
+    with_conf: true
+  pytables:
+  sphinx:
+  superlu:
+  sympy:
+  tetgen:
+  triangle:
+  memory_profiler:
+  scipy:
+  netcdf4f:
+  python-netcdf4:
+  h5py:
+  ode:
+  pip:
+ # pyode:
+ # vtk:
+ # pyvtk:

pkgs/hdf5/hdf5.yaml

@@ -18,7 +18,7 @@ build_stages:
   bash: |
     export CC=${MPICC}
 
-- when: machine == 'CrayXE6'
+- when: machine == 'CrayXE6' or machine == 'CrayXC30'
   name: make_exe_builds_static
   handler: bash
   after: configure
@@ -28,6 +28,10 @@ build_stages:
     do 
       sed -i 's/CCLD = $(CC)/CCLD = $(CC) -static/g' $f
     done
+    for f in {src,test,testpar,tools/*,perform,hl/*,hl/*/*}/Makefile 
+    do 
+      sed -i "s/sed -e 's\/-L\/:\/g' -e 's\/ \/\/g'/sed -e 's\/-L\/:\/g' -e 's\/-rpath=\/:\/g' -e 's\/-Wl,\/\/g' -e 's\/ \/\/g'/g" $f
+    done
 
 - name: configure
   extra: ['--with-zlib=${ZLIB_DIR}',
@@ -40,7 +44,7 @@ build_stages:
           '--enable-largefile=yes',
           '--with-default-api-version=v18']
 
-- when: machine == 'CrayXE6'
+- when: machine == 'CrayXE6' or machine == 'CrayXC30'
   name: configure
   extra: ['--enable-static-exec',
           '--with-zlib=${ZLIB_DIR}',

pkgs/host-openblas-blas.yaml

@@ -0,0 +1,2 @@
+when_build_dependency:
+  - {set: 'BLAS_LDFLAGS', value: '-lopenblas'}

pkgs/host-openblas-lapack.yaml

@@ -0,0 +1,2 @@
+when_build_dependency:
+  - {set: 'LAPACK_LDFLAGS', value: '-lopenblas'}

pkgs/host-openblas.yaml

@@ -0,0 +1,2 @@
+when_build_dependency:
+  - {set: 'BLAS_LDFLAGS', value: '-lacml'}

pkgs/jupyter-pip.yaml

@@ -5,5 +5,5 @@ dependencies:
   run: []
 
 sources:
- - key: tar.gz:wxla2vqnbs3zhqn3l6kafwyhobj6ppak
-   url: https://pypi.python.org/packages/source/j/jupyter-pip/jupyter-pip-0.1.tar.gz
+ - key: git:9fe7ab80870b2c7de8380ab8013fbb33df7ee847
+   url: https://github.com/jdfreder/jupyter-pip.git

pkgs/netcdf4/netcdf4.yaml

@@ -19,7 +19,7 @@ build_stages:
   bash: |
     export CC=$MPICC
 
-- when: machine == 'CrayXE6'
+- when: machine == 'CrayXE6' or machine == 'CrayXC30'
   name: configure
   mode: override
   append: {LDFLAGS: {{DYNAMIC_EXE_LINKER_FLAGS}}}

pkgs/numpy/numpy.yaml

@@ -53,27 +53,50 @@ build_stages:
       export BLAS=None
       export ATLAS=None
 
-  - when: machine == 'CrayXE6'
+  - when: machine == 'CrayXC30'
     name: create-site.cfg
     after: prologue
     before: install
     handler: bash
     bash: |
       cat > site.cfg << EOF
       [DEFAULT]
-      library_dirs = ${ACML_DIR}/gfortran64/lib
-      libraries = acml, gfortran
+      library_dirs = ${CRAY_LIBSCI_PREFIX_DIR}/lib
+      libraries = sci_gnu
       EOF
 
-  - when: machine == 'CrayXE6'
+  - when: machine == 'CrayXC30'
     name: set-LDFLAGS
     after: prologue
     before: install
     handler: bash
     bash: |
-      export LDFLAGS="-shared -Wl,-rpath=${PYTHON_DIR}/lib -Wl,-rpath=${ACML_DIR}/gfortran64/lib $(${PYTHON_DIR}/bin/python-config --ldflags -lgfortran)"
-      export LAPACK=acml
-      export BLAS=acml
+      export LDFLAGS="-shared -Wl,-rpath=${PYTHON_DIR}/lib -Wl,-rpath=${CRAY_LIBSCI_PREFIX_DIR}/lib $(${PYTHON_DIR}/bin/python-config --ldflags)"
+      export LAPACK=sci_gnu
+      export BLAS=sci_gnu
+      export ATLAS=None
+
+  - when: machine == 'CrayXC30'
+    name: create-site.cfg
+    after: prologue
+    before: install
+    handler: bash
+    bash: |
+      cat > site.cfg << EOF
+      [DEFAULT]
+      library_dirs = ${CRAY_LIBSCI_PREFIX_DIR}/lib
+      libraries = sci_gnu
+      EOF
+
+  - when: machine == 'CrayXC30'
+    name: set-LDFLAGS
+    after: prologue
+    before: install
+    handler: bash
+    bash: |
+      export LDFLAGS="-shared -Wl,-rpath=${PYTHON_DIR}/lib -Wl,-rpath=${CRAY_LIBSCI_PREFIX_DIR}/lib $(${PYTHON_DIR}/bin/python-config --ldflags)"
+      export LAPACK=sci_gnu
+      export BLAS=sci_gnu
       export ATLAS=None
 
   - when: platform == 'Cygwin'

pkgs/petsc/petsc.py

@@ -4,6 +4,35 @@ def preConfigureCrayXE6(ctx, conf_lines):
     conf_lines += ['LDFLAGS=' + ctx.parameters['DYNAMIC_EXE_LINKER_FLAGS'],
                '--known-mpi-shared-libraries=1',
                '--with-batch',
+               '--known-sdot-returns-double=0',
+               '--known-snrm2-returns-double=0',
+               '--known-level1-dcache-size=16384',
+               '--known-level1-dcache-linesize=64',
+               '--known-level1-dcache-assoc=4',
+               '--known-memcmp-ok=1',
+               '--known-sizeof-char=1',
+               '--known-sizeof-void-p=8',
+               '--known-sizeof-short=2',
+               '--known-sizeof-int=4',
+               '--known-sizeof-long=8',
+               '--known-sizeof-long-long=8',
+               '--known-sizeof-float=4',
+               '--known-sizeof-double=8',
+               '--known-sizeof-size_t=8',
+               '--known-bits-per-byte=8',
+               '--known-sizeof-MPI_Comm=4',
+               '--known-sizeof-MPI_Fint=4',
+               '--known-mpi-long-double=1',
+               '--known-mpi-c-double-complex=1',
+               '--known-mpi-int64_t=1',
+               '--with-pthread=1']
+
+def preConfigureCrayXC30(ctx, conf_lines):
+    conf_lines += ['LDFLAGS=' + ctx.parameters['DYNAMIC_EXE_LINKER_FLAGS'],
+               '--known-mpi-shared-libraries=1',
+               '--with-batch',
+               '--known-sdot-returns-double=0',
+               '--known-snrm2-returns-double=0',
                '--known-level1-dcache-size=16384',
                '--known-level1-dcache-linesize=64',
                '--known-level1-dcache-assoc=4',
@@ -87,6 +116,8 @@ def configure(ctx, stage_args):
 
     if ctx.parameters.get('machine','') == 'CrayXE6':
         preConfigureCrayXE6(ctx, conf_lines)
+    elif ctx.parameters.get('machine','') == 'CrayXC30':
+        preConfigureCrayXC30(ctx, conf_lines)
     elif ctx.parameters.get('machine','') == 'SGIICEX':
         preConfigureSGIICEX(ctx, conf_lines)
 

pkgs/petsc/petsc.yaml

@@ -43,8 +43,8 @@ build_stages:
    handler: bash
    after: configure
    bash: |
-     make
- 
+     make MAKE_NP=${HASHDIST_CPU_COUNT}
+
 -  name: install
    mode: replace
    handler: bash