toss4cray

.gitignore

@@ -6,3 +6,5 @@ pyranda.egg-info
 *.o
 *.so
 *.a
+pyranda/parcop/parcopmodule.c
+pyranda/parcop/parcop-f2pywrappers2.f90

INSTALL.md

@@ -46,42 +46,47 @@ You can also verify that you're in your venv by checking your `$PATH`:
 pip install . [--user]
 ```
 
+###
+
 ## Installing without pip
 
 ```
 [python setup.py build [extra_build_args]]
 python setup.py install
 ```
 
-
 ## Legacy Instructions - Manual Install
-This process should work on any system and will allow for an arbitrary compiler to be used for 
+This process should work on any system and will allow for an arbitrary compiler to be used for
 the fortran and for the mpi4py.
 
 ### Step 1: Ensure python and numpy
-#### Python-
+
+#### Python
 Though other versions of python may very well work, we recommend and support
 python 2.7, 3.5, and 3.6 for pyranda.
-#### numpy-
+
+#### numpy
 As long as numpy is working with your version of python above, there will be no
 compability issues.  This can be installed in a number of ways. http://www.numpy.org
 
 ### Step 2: Custom install of mpi4py
 This python package provides MPI bindings to python and may or may not exists on your system
 and python path.
+
 #### Install mpi4py (this should work on most systems with a mpi compiler installed)
 ```
-wget https://bitbucket.org/mpi4py/mpi4py/downloads/mpi4py-3.0.0.tar.gz
-tar xvzf mpi4py-3.0.0.tar.gz
-cd mpi4py*
+export version=4.1.0
+wget https://github.com/mpi4py/mpi4py/releases/download/$version/mpi4py-$version.tar.gz
+tar xvzf mpi4py-$version.tar.gz
+cd mpi4py-$version
 python setup.py build --mpicc=/where/you/have/mpicc
 python setup.py install --prefix=install_location_mpi4py
 ```
 
 ** Add install_location_mpi4py/*/site_packages to PYTHONPATH **
 
 ### Step 3: Pyranda build/install
-A fortran compiler compatible with the mpicc used in mpi4py is used by default.  
+A fortran compiler compatible with the mpicc used in mpi4py is used by default.
 2003 and above standards enforced and MPI libraries is required.
 ### Install pyranda
 ```
@@ -98,4 +103,3 @@ Trying navigating to pyranda/examples and running
 ```
 python advection.py
 ```
-

pyranda/parcop/makefile

@@ -34,9 +34,10 @@ intel.fflags = -fPIC -O3 -cpp
 # it's likely that mpiclang is using gfortran
 clang.fflags = $(gnu.fflags)
 ibm.linkflags = -qoffload -W@,-v -qsmp=omp -qinfo=omperrtrace
-ibm.fflags   = -fPIC -qxlf2003=polymorphic $(ibm.linkflags) -qsuffix=cpp=f90:f=f90 
+ibm.fflags   = -fPIC -qxlf2003=polymorphic $(ibm.linkflags) -qsuffix=cpp=f90:f=f90
 ibm.lopts    = -qmkshrobj
 pgi.fflags   = -fPIC
+cray.fflags  = -ffree -efF -fPIC
 
 sys_type = $(call use-if,$(SYS_TYPE),$(shell uname))
 python  ?= $(call use-if,$($(compiler).$(sys_type).python),$(shell which python))
@@ -56,8 +57,9 @@ python.Iflags  = -I$(shell $(python) -c "from sysconfig import get_config_var; p
 python.libdir  = $(shell $(python) -c "from sysconfig import get_config_var; print(get_config_var('LIBDIR'))")
 python.version = $(shell $(python) -c "from sysconfig import get_config_var; print(get_config_var('VERSION'))")
 python.abiflag = $(shell $(python) -c "import sys; print(getattr(sys,'abiflags',''))")
+# TODO: how should we do this so it's portable?
 #python.Lflags  = -L$(python.libdir) -Wl,-R$(python.libdir)
-python.Lflags  = -L$(python.libdir) -Wl,-rpath $(python.libdir)
+python.Lflags  = -L$(python.libdir) -Wl,-rpath=$(python.libdir)
 python.lflags  = -lpython$(python.version)$(python.abiflag)
 
 numpy.dir    = $(shell $(python) -c "import numpy; print(numpy.__path__[0])")
@@ -79,8 +81,9 @@ vpath %.c $(f2py.dir)
 %.o: %.f90
 	$(mpif90) $(fflags) -c $<
 
+# TODO: is `-Wno-implicit...` portable?
 %.o: %.c
-	$(mpicc) -fPIC $(python.Iflags) $(numpy.Iflags) $(f2py.Iflags) -c $^
+	$(mpicc) -fPIC $(python.Iflags) $(numpy.Iflags) $(f2py.Iflags) -Wno-implicit-function-declaration -c $^
 
 all: parcop.so test_pent
 

pyranda/parcop/vendor.sh

@@ -12,5 +12,6 @@ echo $info | grep -i "ibm" > /dev/null && { echo "ibm"; exit 0; }
 echo $info | grep -i "pgi" > /dev/null && { echo "pgi"; exit 0; }
 echo $info | grep -i "clang" > /dev/null && { echo "clang"; exit 0; }
 echo $info | grep -iE "gnu|gcc" > /dev/null && { echo "gnu"; exit 0; }
+echo $info | grep -i "cray" > /dev/null && { echo "cray"; exit 0; }
 
 echo $default

requirements.txt

@@ -1,4 +1,4 @@
 matplotlib
-numpy<2
+numpy
 scipy
 mpi4py

scripts/toss_4_x86_64_ib_cray.sh

@@ -0,0 +1,24 @@
+#!/bin/bash
+
+test -e INSTALL.md || { echo "this must run from the root of pyranda"; exit 1; }
+
+version=4.1.0
+name=mpi4py-$version
+mpicc=/usr/tce/packages/cray-mpich/cray-mpich-9.0.1-cce-20.0.0-magic/bin/mpicc
+
+
+if [[ ! -d $name ]]; then
+  wget https://github.com/mpi4py/mpi4py/releases/download/$version/$name.tar.gz
+  tar xvzf $name.tar.gz
+fi
+
+if [[ ! $(pip list | grep mpi4py) ]]; then
+  pushd $name
+  python3 setup.py build --mpicc=$mpicc
+  python3 setup.py install
+  popd
+fi
+
+pip install -r requirements.txt
+
+pip install .