ValeevGroup · asadchev · Dec 28, 2020 · Dec 28, 2020 · Dec 28, 2020 · Dec 28, 2020
diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
@@ -4,12 +4,6 @@ stages:
 default:
   tags: [ docker ]
 
-variables:
-  # to run OpenMPI in docker
-  OMPI_ALLOW_RUN_AS_ROOT: 1
-  OMPI_ALLOW_RUN_AS_ROOT_CONFIRM: 1
-  OMPI_MCA_btl_vader_single_copy_mechanism: none
-
 before_script:
   - echo 'localhost slots=8' > /etc/openmpi/openmpi-default-hostfile
   - apt-get install -yq intel-mkl-core-c-2020.4-304
@@ -18,36 +12,32 @@ before_script:
 build:
   stage: build
   timeout: 3h
+  interruptible: true
   image: valeevgroup/${IMAGE}
   variables:
     CXX: ${CXX}
-    TA_PYTHON : "TA_PYTHON=OFF"
     ENABLE_MKL : "ENABLE_MKL=OFF"
     ENABLE_SCALAPACK : "ENABLE_SCALAPACK=OFF"
   script:
     - mkdir build
     - cd build
-    - cmake .. -DCMAKE_TOOLCHAIN_FILE=../cmake/toolchains/gitlab-ci.cmake
-        -DCMAKE_BUILD_TYPE=${BUILD_TYPE}
-        -D${TA_PYTHON}
-        -D${ENABLE_MKL}
-        -D${ENABLE_SCALAPACK}
-    - make tiledarray
-    - make examples
-    - make ta_test
-    - make check
+    - ../bin/gitlab-ci.sh ..
+        CMAKE_BUILD_TYPE=${BUILD_TYPE}
+        ${TA_PYTHON}
+        ${ENABLE_MKL}
+        ${ENABLE_SCALAPACK}
+        MPIEXEC_PREFLAGS="--allow-run-as-root"
+        blacs_LIBRARIES=scalapack-openmpi
+        scalapack_LIBRARIES=scalapack-openmpi
+        lapack_LIBRARIES=lapack
   parallel:
     matrix:
-      - CXX: [ g++ ]
-        IMAGE : [ "ubuntu:20.04" ]
+      - IMAGE : [ "ubuntu:20.04" ]
+        CXX: [ g++, clang++-9 ]
         BUILD_TYPE : [ "Release", "Debug" ]
         ENABLE_MKL : [ "ENABLE_MKL=ON", "ENABLE_MKL=OFF" ]
         ENABLE_SCALAPACK : [ "ENABLE_SCALAPACK=ON", "ENABLE_SCALAPACK=OFF" ]
-      - CXX: [ g++ ]
-        IMAGE : [ "ubuntu:20.04" ]
+      - IMAGE : [ "ubuntu:18.04", "ubuntu:20.04" ]
+        CXX: [ g++ ]
         BUILD_TYPE : [ "Release", "Debug" ]
         TA_PYTHON : [ "TA_PYTHON=ON" ]
-      - CXX: [ clang++-9 ]
-        IMAGE : [ "ubuntu:20.04" ]
-        BUILD_TYPE : [ "Release", "Debug" ]
-        ENABLE_MKL : [ "ENABLE_MKL=ON", "ENABLE_MKL=OFF" ]
diff --git a/INSTALL.md b/INSTALL.md
@@ -25,7 +25,7 @@ $ cmake --build build --target install
 - [CMake](https://cmake.org/), version 3.15 or higher; if CUDA support is needed, CMake 3.18 or higher is required.
 - [Git](https://git-scm.com/) 1.8 or later (required to obtain TiledArray and MADNESS source code from GitHub)
 - [Eigen](http://eigen.tuxfamily.org/), version 3.3 or higher; if CUDA is enabled then 3.3.7 is required (will be downloaded automatically, if missing)
-- [Boost libraries](www.boost.org/), version 1.68 or higher (will be downloaded automatically, if missing). The following principal Boost components are used:
+- [Boost libraries](www.boost.org/), version 1.59 or higher (will be downloaded automatically, if missing). The following principal Boost components are used:
   - Boost.Iterator: header-only
   - Boost.Container: header-only
   - Boost.Test: header-only or (optionally) as a compiled library, *only used for unit testing*

diff --git a/bin/gitlab-ci.sh b/bin/gitlab-ci.sh
@@ -0,0 +1,35 @@
+#!/bin/bash
+
+echo "$ $0 $@"
+
+if [ "$#" -lt 1 ]; then
+    echo "CMake project directory argument required"
+    exit 1
+fi
+
+project_dir=$1
+shift
+
+cmake_args="-DTA_BUILD_UNITTEST=TRUE"
+
+for arg in $@; do
+    cmake_args+=" -D$arg"
+done
+
+cmake_build_target="cmake --build . --target "
+
+set -e
+set -x
+
+# to run OpenMPI in docker as root
+export OMPI_ALLOW_RUN_AS_ROOT=1
+export OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
+export OMPI_MCA_btl_vader_single_copy_mechanism="none"
+
+cmake $project_dir $cmake_args
+
+$cmake_build_target tiledarray
+$cmake_build_target examples
+$cmake_build_target ta_test
+$cmake_build_target check
+
diff --git a/cmake/toolchains/gitlab-ci.cmake b/cmake/toolchains/gitlab-ci.cmake
diff --git a/examples/dgemm/CMakeLists.txt b/examples/dgemm/CMakeLists.txt
@@ -25,7 +25,7 @@
 
 # Create example executable
 
-foreach(_exec blas eigen ta_band ta_dense ta_sparse ta_dense_nonuniform
+foreach(_exec ta_blas ta_eigen ta_band ta_dense ta_sparse ta_dense_nonuniform
               ta_dense_asymm ta_sparse_grow ta_dense_new_tile
               ta_cc_abcd)
 

diff --git a/examples/dgemm/blas.cpp → examples/dgemm/ta_blas.cpp b/examples/dgemm/blas.cpp → examples/dgemm/ta_blas.cpp
diff --git a/examples/dgemm/eigen.cpp → examples/dgemm/ta_eigen.cpp b/examples/dgemm/eigen.cpp → examples/dgemm/ta_eigen.cpp
diff --git a/external/versions.cmake b/external/versions.cmake
@@ -1,8 +1,9 @@
 # for each dependency track both current and previous id (the variable for the latter must contain PREVIOUS)
 # to be able to auto-update them
 
-set(TA_TRACKED_BOOST_VERSION 1.68)
-set(TA_TRACKED_BOOST_PREVIOUS_VERSION 1.33)
+# Boost explicitly downgraded to 1.59 from 1.68
+set(TA_TRACKED_BOOST_VERSION 1.59)
+set(TA_TRACKED_BOOST_PREVIOUS_VERSION 1.68)
 set(TA_INSTALL_BOOST_VERSION 1.70.0)
 set(TA_INSTALL_BOOST_PREVIOUS_VERSION 1.70.0)
 set(TA_INSTALL_BOOST_URL_HASH 882b48708d211a5f48e60b0124cf5863c1534cd544ecd0664bb534a4b5d506e9)

diff --git a/tests/CMakeLists.txt b/tests/CMakeLists.txt
@@ -23,7 +23,7 @@
 #
 
 CONFIGURE_FILE(
-  ${CMAKE_CURRENT_SOURCE_DIR}/unit_test_config_h.in
+  ${CMAKE_CURRENT_SOURCE_DIR}/unit_test_config.h.in
   ${PROJECT_BINARY_DIR}/tests/unit_test_config.h
 )
 
@@ -158,9 +158,16 @@ add_test(build_${executable} "${CMAKE_COMMAND}" --build ${PROJECT_BINARY_DIR} --
 
 # Add a test(s)
 if(ENABLE_MPI)
+  set (${executable}_np_1_args --run_test=!@distributed)
+  set (${executable}_np_2_args --run_test=!@serial)
   foreach(p RANGE 1 2)
-    add_test(NAME ${executable}-np-${p}
-      COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${p} ${MPIEXEC_PREFLAGS} $<TARGET_FILE:${executable}> --log_level=warning --show-progress ${MPIEXEC_POSTFLAGS})
+    add_test(
+      NAME ${executable}-np-${p}
+      COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${p}
+        ${MPIEXEC_PREFLAGS}
+        $<TARGET_FILE:${executable}> --log_level=warning --show-progress ${${executable}_np_${p}_args}
+        ${MPIEXEC_POSTFLAGS}
+      )
     set_tests_properties(${executable}-np-${p} PROPERTIES DEPENDS build_${executable})
     if (p GREATER 1)
       set_tests_properties(${executable}-np-${p} PROPERTIES ENVIRONMENT TA_UT_DISTRIBUTED=1)

diff --git a/tests/bipartite_index_list.cpp b/tests/bipartite_index_list.cpp
@@ -64,7 +64,7 @@ struct BipartiteIndexListFixture {
 };
 
 BOOST_FIXTURE_TEST_SUITE(bipartite_index_list_suite, BipartiteIndexListFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 /* This unit test ensures that the typedefs are what we think they are. Since no
  * template meta-programming occurs in the class these tests serve more as a

diff --git a/tests/bitset.cpp b/tests/bitset.cpp
@@ -41,7 +41,7 @@ const std::size_t BitsetFixture::blocks = 11;
 // =============================================================================
 // Bitset Test Suite
 
-BOOST_FIXTURE_TEST_SUITE(bitset_suite, BitsetFixture, TA_UT_SKIP_IF_DISTRIBUTED)
+BOOST_FIXTURE_TEST_SUITE(bitset_suite, BitsetFixture, TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(size_constructor) {
   // Check for error free construction

diff --git a/tests/block_range.cpp b/tests/block_range.cpp
@@ -47,7 +47,7 @@ const Range BlockRangeFixture::r(std::array<int, 3>{{0, 1, 2}},
                                  std::array<int, 3>{{5, 11, 8}});
 
 BOOST_FIXTURE_TEST_SUITE(block_range_suite, BlockRangeFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 const auto target_count = 20;
 

diff --git a/tests/cutt.cpp b/tests/cutt.cpp
@@ -43,7 +43,7 @@ struct cuTTFixture {
   int C;
 };
 
-BOOST_FIXTURE_TEST_SUITE(cutt_suite, cuTTFixture, TA_UT_SKIP_IF_DISTRIBUTED);
+BOOST_FIXTURE_TEST_SUITE(cutt_suite, cuTTFixture, TA_UT_LABEL_SERIAL);
 
 BOOST_AUTO_TEST_CASE(cutt_gpu_mem) {
   int* a_host = (int*)std::malloc(A * A * sizeof(int));

diff --git a/tests/math_blas.cpp b/tests/math_blas.cpp
@@ -47,7 +47,7 @@ struct BlasFixture {
 
 const double BlasFixture::tol = 0.001;
 
-BOOST_FIXTURE_TEST_SUITE(blas_suite, BlasFixture, TA_UT_SKIP_IF_DISTRIBUTED)
+BOOST_FIXTURE_TEST_SUITE(blas_suite, BlasFixture, TA_UT_LABEL_SERIAL)
 
 typedef boost::mpl::list<int, long, unsigned int, unsigned long> int_types;
 

diff --git a/tests/math_outer.cpp b/tests/math_outer.cpp
@@ -63,7 +63,7 @@ struct OuterFixture {
 };  // OuterFixture
 
 BOOST_FIXTURE_TEST_SUITE(math_outer_suite, OuterFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(outer_kernel) {
   const std::vector<int> reference = result;

diff --git a/tests/math_partial_reduce.cpp b/tests/math_partial_reduce.cpp
@@ -67,7 +67,7 @@ struct PartialReduceFixture {
 };  // PartialReduceFixture
 
 BOOST_FIXTURE_TEST_SUITE(math_partial_reduce_suite, PartialReduceFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(unary_row_reduce) {
   // Create a copy of the result for later use.

diff --git a/tests/math_transpose.cpp b/tests/math_transpose.cpp
@@ -35,7 +35,7 @@ struct TransposeFixture {
 };  // TransposeFixture
 
 BOOST_FIXTURE_TEST_SUITE(transpose_suite, TransposeFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(copy) {
   const std::size_t m = 20;

diff --git a/tests/meta.cpp b/tests/meta.cpp
@@ -31,7 +31,7 @@
 
 struct MetaFixture {};  // MetaFixture
 
-BOOST_FIXTURE_TEST_SUITE(meta_suite, MetaFixture, TA_UT_SKIP_IF_DISTRIBUTED)
+BOOST_FIXTURE_TEST_SUITE(meta_suite, MetaFixture, TA_UT_LABEL_SERIAL)
 
 double sin(double x) { return std::sin(x); }
 double cos(double x) { return std::cos(x); }

diff --git a/tests/perm_index.cpp b/tests/perm_index.cpp
@@ -50,7 +50,7 @@ const std::array<std::size_t, 4> PermIndexFixture::finish = {
     {3ul, 5ul, 7ul, 11ul}};
 
 BOOST_FIXTURE_TEST_SUITE(perm_index_suite, PermIndexFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(default_constructor) {
   BOOST_CHECK_NO_THROW(PermIndex x;);

diff --git a/tests/permutation.cpp b/tests/permutation.cpp
@@ -74,7 +74,7 @@ typedef boost::mpl::list<TiledArray::Permutation> ptypes0;
 typedef boost::mpl::list<TiledArray::symmetry::Permutation> ptypes1;
 
 BOOST_FIXTURE_TEST_SUITE(permutation_suite, PermutationFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE_TEMPLATE(constructor, Permutation, ptypes0) {
   // check default constructor

diff --git a/tests/random.cpp b/tests/random.cpp
@@ -11,7 +11,7 @@ using true_types = boost::mpl::list<int, float, double, std::complex<float>,
                                     std::complex<double>>;
 }  // namespace
 
-BOOST_AUTO_TEST_SUITE(can_make_random, TA_UT_SKIP_IF_DISTRIBUTED)
+BOOST_AUTO_TEST_SUITE(can_make_random, TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE_TEMPLATE(can_make_random_false, ValueType, false_types) {
   using can_make_random_t = CanMakeRandom<ValueType>;

diff --git a/tests/range.cpp b/tests/range.cpp
@@ -60,7 +60,7 @@ const RangeFixture::index RangeFixture::p4(GlobalFixture::dim, 4);
 const RangeFixture::index RangeFixture::p5(GlobalFixture::dim, 5);
 const RangeFixture::index RangeFixture::p6(GlobalFixture::dim, 6);
 
-BOOST_FIXTURE_TEST_SUITE(range_suite, RangeFixture, TA_UT_SKIP_IF_DISTRIBUTED)
+BOOST_FIXTURE_TEST_SUITE(range_suite, RangeFixture, TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(dimension_accessor) {
   BOOST_CHECK_EQUAL_COLLECTIONS(r.lobound_data(), r.lobound_data() + r.rank(),

diff --git a/tests/s_t_t_contract_.cpp b/tests/s_t_t_contract_.cpp
@@ -23,7 +23,7 @@
 using namespace TiledArray;
 using namespace TiledArray::expressions;
 
-BOOST_AUTO_TEST_SUITE(s_t_t_contract_fxn, TA_UT_SKIP_IF_DISTRIBUTED)
+BOOST_AUTO_TEST_SUITE(s_t_t_contract_fxn, TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(i_i) {
   Tensor<double> lhs(Range{4}, {80, 36, 4, 36});

diff --git a/tests/symm_irrep.cpp b/tests/symm_irrep.cpp
@@ -36,7 +36,7 @@ struct IrrepFixture {
 using TiledArray::Irrep;
 
 BOOST_FIXTURE_TEST_SUITE(symm_irrep_suite, IrrepFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(constructor) {
   {

diff --git a/tests/symm_permutation_group.cpp b/tests/symm_permutation_group.cpp
@@ -121,7 +121,7 @@ struct PermutationGroupFixture {
 };  // PermutationGroupFixture
 
 BOOST_FIXTURE_TEST_SUITE(symm_group_suite, PermutationGroupFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(constructor) {
   // SymmetricGroup "degree" ctor

diff --git a/tests/symm_representation.cpp b/tests/symm_representation.cpp
@@ -97,7 +97,7 @@ U1_Operator identity<U1_Operator>() {
 }  // namespace symmetry
 }  // namespace TiledArray
 
-BOOST_FIXTURE_TEST_SUITE(symm_representation_suite, GroupRepresentationFixture, TA_UT_SKIP_IF_DISTRIBUTED)
+BOOST_FIXTURE_TEST_SUITE(symm_representation_suite, GroupRepresentationFixture, TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(constructor) {
   // representation for permutation symmetry

diff --git a/tests/t_s_t_contract_.cpp b/tests/t_s_t_contract_.cpp
@@ -23,7 +23,7 @@
 using namespace TiledArray;
 using namespace TiledArray::expressions;
 
-BOOST_AUTO_TEST_SUITE(t_s_t_contract_fxn, TA_UT_SKIP_IF_DISTRIBUTED)
+BOOST_AUTO_TEST_SUITE(t_s_t_contract_fxn, TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(i_i) {
   double lhs = 3.0;

diff --git a/tests/t_t_t_contract_.cpp b/tests/t_t_t_contract_.cpp
@@ -23,7 +23,7 @@
 using namespace TiledArray;
 using namespace TiledArray::expressions;
 
-BOOST_AUTO_TEST_SUITE(t_t_t_contract_fxn, TA_UT_SKIP_IF_DISTRIBUTED)
+BOOST_AUTO_TEST_SUITE(t_t_t_contract_fxn, TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(ij_i_j) {
   Tensor<double> lhs(Range{4}, {24, 95, 2, 37});

diff --git a/tests/t_tot_tot_contract_.cpp b/tests/t_tot_tot_contract_.cpp
@@ -23,7 +23,7 @@
 using namespace TiledArray;
 using namespace TiledArray::expressions;
 
-BOOST_AUTO_TEST_SUITE(t_tot_tot_contract_fxn, TA_UT_SKIP_IF_DISTRIBUTED)
+BOOST_AUTO_TEST_SUITE(t_tot_tot_contract_fxn, TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(ij_eq_i_k_times_j_k){
   Tensor<double> lhs_elem_0(Range{6}, {94, 83, 18, 33, 12, 74});

diff --git a/tests/tensor.cpp b/tests/tensor.cpp
@@ -31,7 +31,7 @@
 
 const TensorFixture::range_type TensorFixture::r = make_range(81);
 
-BOOST_FIXTURE_TEST_SUITE(tensor_suite, TensorFixture, TA_UT_SKIP_IF_DISTRIBUTED)
+BOOST_FIXTURE_TEST_SUITE(tensor_suite, TensorFixture, TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(default_constructor) {
   // check constructor

diff --git a/tests/tensor_of_tensor.cpp b/tests/tensor_of_tensor.cpp
@@ -164,7 +164,7 @@ const BipartitePermutation TensorOfTensorFixture::bperm(Permutation{1, 0, 3, 2},
                                                         2);
 
 BOOST_FIXTURE_TEST_SUITE(tensor_of_tensor_suite, TensorOfTensorFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 #ifdef TILEDARRAY_HAS_BTAS
 typedef boost::mpl::list<TiledArray::Tensor<int>, bTensorI> itensor_types;

diff --git a/tests/tensor_shift_wrapper.cpp b/tests/tensor_shift_wrapper.cpp
@@ -64,7 +64,7 @@ struct ShiftWrapperFixture {
 };  // ShiftWrapperFixture
 
 BOOST_FIXTURE_TEST_SUITE(tensor_shift_wrapper_suite, ShiftWrapperFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(constructor) {
   BOOST_CHECK_NO_THROW(shift(t1));

diff --git a/tests/tensor_tensor_view.cpp b/tests/tensor_tensor_view.cpp
@@ -59,7 +59,7 @@ const std::array<int, 3> TensorViewFixture::lower_bound{{0, 1, 2}};
 const std::array<int, 3> TensorViewFixture::upper_bound{{5, 7, 11}};
 
 BOOST_FIXTURE_TEST_SUITE(tensor_view_suite, TensorViewFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(non_const_view) {
   for (auto lower_it = t.range().begin(); lower_it != t.range().end();

diff --git a/tests/tensor_um.cpp b/tests/tensor_um.cpp
@@ -88,7 +88,7 @@ struct TensorUMFixture {
 const TensorUMFixture::range_type TensorUMFixture::r = make_range(81);
 
 BOOST_FIXTURE_TEST_SUITE(tensor_um_suite, TensorUMFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(default_constructor) {
   // check constructor

diff --git a/tests/tile_op_add.cpp b/tests/tile_op_add.cpp
@@ -50,7 +50,7 @@ struct AddFixture : public RangeFixture {
 };  // AddFixture
 
 BOOST_FIXTURE_TEST_SUITE(tile_op_add_suite, AddFixture,
-                         TA_UT_SKIP_IF_DISTRIBUTED)
+                         TA_UT_LABEL_SERIAL)
 
 BOOST_AUTO_TEST_CASE(constructor) {
   // Check that the constructors can be called without throwing exceptions