Use manylinux2014 and publish to PyPI

.github/workflows/testing.yml

@@ -3,14 +3,44 @@ name: Python package
 on: [pull_request]
 
 jobs:
-  tests:
-    name: "Python ${{ matrix.python-version }} on ${{ matrix.os }}"
+  build-wheels:
+    name: Build wheels
+    timeout-minutes: 30
     strategy:
       fail-fast: false
       matrix:
-        python-version: [3.6, 3.7, 3.8]
-        os: [ubuntu-18.04]
+        python-version: ['3.8', '3.9', '3.10']
+        os: [ubuntu-latest]
+
+    runs-on: ${{ matrix.os }}
+
+    steps:
+    - uses: actions/checkout@v2
+      with:
+        fetch-depth: 0
+
+    - name: Build Linux Wheel
+      uses: docker://quay.io/pypa/manylinux2014_x86_64
+      with:
+        entrypoint: /github/workspace/ci/build_linux_wheel.sh
+        args: ${{ matrix.python-version }}
+
+    - name: Upload wheel as artifact
+      uses: actions/upload-artifact@v2
+      with:
+        name: ${{ matrix.os }} Python ${{ matrix.python-version }} wheel
+        path: dist/*
+
 
+  tests:
+    name: Run pytest
+    needs: [build-wheels]
+    timeout-minutes: 30
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version: ['3.8', '3.9', '3.10']
+        os: [ubuntu-latest]
     runs-on: ${{ matrix.os }}
 
     steps:
@@ -23,19 +53,43 @@ jobs:
       with:
         python-version: ${{ matrix.python-version }}
 
-    - name: Install Ubuntu dependencies
-      run: |
-        sudo add-apt-repository ppa:jokva/carolina
-        sudo apt-get update
-        sudo apt-get install python3-dakota1 python3-libdakota-dev;
-        sudo apt-get install libboost-python-dev  libboost-all-dev
+    - name: Get wheels
+      uses: actions/download-artifact@v2
+      with:
+        name: ${{ matrix.os }} Python ${{ matrix.python-version }} wheel
 
-    - name: Install Dependencies
+    - name: Install wheel and test dependencies
       run: |
+        find . -name "*.whl" -exec pip install {} \;
         pip install -r requirements.txt
         pip install pytest
-        pip install .
 
     - name: Run Tests
       run: |
         python -m pytest
+
+
+  publish:
+    name: Publish to PyPI
+    runs-on: ubuntu-latest
+    needs: [tests]
+
+    # If this is a tagged release
+    if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags')
+
+    steps:
+      - name: Get wheels
+        uses: actions/download-artifact@v2
+        with:
+          path: artifacts
+
+      - name: Move to dist/
+        run: |
+          mkdir dist
+          find artifacts -name "*.whl" -exec mv '{}' dist/ \;
+
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@v1.3.1
+        with:
+          user: statoil-travis
+          password: ${{ secrets.pypi_password }}

ci/build_linux_wheel.sh

@@ -0,0 +1,37 @@
+#!/bin/bash
+set -euo pipefail
+
+case "$1" in
+    3.6) pyver=cp36-cp36m ;;
+    3.7) pyver=cp37-cp37m ;;
+    3.8) pyver=cp38-cp38 ;;
+    3.9) pyver=cp39-cp39 ;;
+    3.10) pyver=cp310-cp310 ;;
+    *)
+        echo "Unknown Python version $1"
+        exit 1
+        ;;
+esac
+
+git config --global --add safe.directory /github/workspace
+
+# Install dependencies
+yum install -y openmpi-devel lapack
+export CFLAGS="-I/usr/include/openmpi-x86_64"
+export CXXFLAGS="-I/usr/include/openmpi-x86_64"
+
+# Install boost
+yum install -y boost-devel boost-python36-devel
+
+# Download dakota
+dakota_ver=6.16.0
+dakota_dir=dakota-${dakota_ver}-public-rhel7.Linux.x86_64-cli
+curl -O https://dakota.sandia.gov/sites/default/files/distributions/public/${dakota_dir}.tar.gz
+tar xf ${dakota_dir}.tar.gz
+export PATH=$(realpath "${dakota_dir}/bin"):$PATH
+export LD_LIBRARY_PATH=$(realpath "${dakota_dir}/bin"):$(realpath "${dakota_dir}/lib")
+
+# Build wheel
+cd /github/workspace
+/opt/python/$pyver/bin/pip wheel . --no-deps -w wheelhouse
+auditwheel repair wheelhouse/* -w dist

pyproject.toml

@@ -0,0 +1,19 @@
+[build-system]
+
+requires = [
+    "setuptools",
+    "wheel",
+    "numpy",
+]
+
+[tool.pytest.ini_options]
+markers = [
+    "requires_ert_storage",
+    "script",
+    "requires_window_manager",
+    "consumer_driven_contract_test",
+    "unstable",
+    "consumer_driven_contract_verification",
+    "integration_test"
+]
+asyncio_mode = "auto"

setup.py

@@ -104,12 +104,18 @@ def get_boost_inc_lib():
     """
 
     boost_root = os.getenv('BOOST_ROOT', None)
+    boost_inc_dir_env = os.getenv('BOOST_INCLUDE_DIRS', None)
+    boost_lib_dir_env = os.getenv('BOOST_LIBRARY_DIRS', None)
 
     boost_inc_dir = None
     boost_lib_dir = None
     if boost_root:
         boost_inc_dir = os.path.join(boost_root, 'include')
         boost_lib_dir = os.path.join(boost_root, 'lib')
+    if boost_inc_dir_env is not None:
+        boost_inc_dir = boost_inc_dir_env
+    if boost_lib_dir_env is not None:
+        boost_lib_dir = boost_lib_dir_env
 
     boost_python = os.getenv('BOOST_PYTHON', get_default_boost_python())
 

src/dakface.cpp

@@ -24,12 +24,6 @@
 // Replaces Python.h according to boost_python docs.
 #include <boost/python/detail/wrap_python.hpp>
 
-#ifdef DAKOTA_HAVE_MPI
-#include <boost/mpi/environment.hpp>
-#include <boost/mpi/communicator.hpp>
-namespace mpi = boost::mpi;
-#endif
-
 #include <iostream>
 
 #include "dakota_windows.h"
@@ -69,13 +63,6 @@ int all_but_actual_main(int argc, char* argv[], void *exc, bool throw_on_error=f
   return _main(argc, argv, NULL, exc, throw_on_error);
 }
 
-#ifdef DAKOTA_HAVE_MPI
-int all_but_actual_main_mpi(int argc, char* argv[], MPI_Comm comm, void *exc, bool throw_on_error=false)
-{
-  return _main(argc, argv, &comm, exc, trhow_on_error);
-}
-#endif
-
 static int _main(int argc, char* argv[], MPI_Comm *pcomm, void *exc, bool throw_on_error)
 {
   static bool initialized = false;
@@ -98,14 +85,7 @@ static int _main(int argc, char* argv[], MPI_Comm *pcomm, void *exc, bool throw_
   // input data checks.  Assumes comm rank 0.
   //Dakota::ProgramOptions opts(argc, argv, 0);
   //Dakota::ParallelLibrary(argc, argv);
-#ifdef DAKOTA_HAVE_MPI
-  int rank;
-  // int ok;
-  // ok = MPI_Comm_rank( *pcomm, &rank ) ;
-  Dakota::ProgramOptions opts(argc, argv, rank);
-#else
   Dakota::ProgramOptions opts(argc, argv, 0);
-#endif
 
   if(throw_on_error)
      // Have Dakota throw an exception rather than aborting the process when error occurs

src/dakota_python_binding.cpp

@@ -1,31 +1,3 @@
-#ifdef DAKOTA_HAVE_MPI
-#include <mpi.h>
-#include <patchlevel.h> 
-
-static void sayhello(MPI_Comm comm)
-{
-  if (comm == MPI_COMM_NULL) {
-    std::cout << "You passed MPI_COMM_NULL !!!" << std::endl;
-    return;
-  }
-  int size;
-  MPI_Comm_size(comm, &size);
-  int rank;
-  MPI_Comm_rank(comm, &rank);
-  int plen; char pname[MPI_MAX_PROCESSOR_NAME];
-  MPI_Get_processor_name(pname, &plen);
-  std::cout <<
-    "Hello, World! " <<
-    "I am process "  << rank  <<
-    " of "           << size  <<
-    " on  "          << pname <<
-    "."              << std::endl;
-}
-
-#include <mpi4py/mpi4py.h>
-
-#endif
-
 #include <iostream>
 #include "dakface.hpp"
 #include <boost/python.hpp>
@@ -68,32 +40,6 @@ int run_dakota(char *infile, char *outfile, char *errfile, bp::object exc, int r
   return all_but_actual_main(argc, argv, tmp_exc, throw_on_error);
 }
 
-#ifdef DAKOTA_HAVE_MPI
-int run_dakota_mpi(char *infile, bp::object py_comm, char *outfile, char *errfile, bp::object exc, int restart, bool throw_on_error)
-{
-  MPI_Comm comm = MPI_COMM_WORLD;
-  if (py_comm) {
-  PyObject* py_obj = py_comm.ptr();
-  MPI_Comm *comm_p = PyMPIComm_Get(py_obj);
-  if (comm_p == NULL) bp::throw_error_already_set();
-  //sayhello(*comm_p);
-  MPI_Comm comm = * comm_p ;
-  }
-
-  MAKE_ARGV
-  if (restart==1){
-    argv[argc++] = const_cast<char*>("-r"); \
-    argv[argc++] = const_cast<char*>("dakota.rst");
-  }
-
-  void *tmp_exc = NULL;
-  if (exc)
-    tmp_exc = &exc;
-
-  return all_but_actual_main_mpi(argc, argv, comm, tmp_exc, throw_on_error);
-}
-#endif
-
 void translator(const int& exc)
 {
   if (!PyErr_Occurred()) {
@@ -113,10 +59,6 @@ BOOST_PYTHON_MODULE(carolina)
   using namespace bpn;
 #endif
 
-#ifdef DAKOTA_HAVE_MPI
-  if (import_mpi4py() < 0) return;
-#endif
-
 #if PY_MAJOR_VERSION >= 3
   import_array1();
 #else
@@ -130,10 +72,6 @@ BOOST_PYTHON_MODULE(carolina)
   register_exception_translator<int>(&translator);
 
   def("run_dakota", run_dakota, "run dakota");
-
-#ifdef DAKOTA_HAVE_MPI
-    def("run_dakota_mpi", run_dakota_mpi);
-#endif
 }