Removed Catch2 lib for GTest. Refactored tests to GTest. Removed destructor in Exciton/ExcitonTB classes which was causing issues with dangling pointers.

Author: alejandrojuria

.github/workflows/tests.yml

@@ -18,4 +18,7 @@ jobs:
         run: docker build -t xatu-tests .
 
       - name: Run Catch2 tests
-        run: docker run --rm xatu-tests
+        run: |
+          export OMP_NUM_THREADS=1
+          export OPENBLAS_NUM_THREADS=1
+          docker run --rm xatu-tests

Dockerfile

@@ -5,7 +5,8 @@ RUN apt-get update && apt-get install -y \
     liblapack-dev \
     libarmadillo-dev \
     libarpack2-dev \ 
-    gfortran && \
+    gfortran \
+    libgtest-dev && \
     rm -rf /var/lib/apt/lists/*
 
 WORKDIR /opt/xatu
@@ -16,4 +17,8 @@ RUN make build TEST=1
 WORKDIR /opt/xatu/test
 RUN make tests
 
-CMD ["./bin/tests.x"]
+ENV OMP_NUM_THREADS=1
+ENV OPENBLAS_NUM_THREADS=1
+ENV OPENBLAS_CORETYPE=generic
+
+CMD ["./bin/tests.x", "--gtest_color=yes"]

include/xatu/Exciton.hpp

@@ -91,7 +91,7 @@ class Exciton {
     public:
         // Constructor & Destructor
         Exciton(std::shared_ptr<T> sys_ptr) : system_(sys_ptr){};
-        virtual ~Exciton(){};
+        // virtual ~Exciton(){};
 
         // Setters
         void setUnitCells(int);

include/xatu/ExcitonTB.hpp

@@ -91,7 +91,7 @@ class ExcitonTB : public Exciton<SystemTB> {
         ExcitonTB(std::shared_ptr<SystemTB>, int ncell = 20, const arma::ivec& bands = {0, 1}, 
                  const arma::rowvec& parameters = {1, 5, 1, 1, 1}, const arma::rowvec& Q = {0., 0., 0.});
 
-        ~ExcitonTB();
+        // ~ExcitonTB();
 
         // Setters
         void setParameters(const arma::rowvec&);

src/ExcitonTB.cpp

@@ -228,7 +228,7 @@ ExcitonTB::ExcitonTB(std::shared_ptr<SystemTB> sys, int ncell, int nbands, int n
  * Exciton destructor.
  * @details Used mainly for debugging; the message should be removed at some point.
  */
-ExcitonTB::~ExcitonTB(){};
+// ExcitonTB::~ExcitonTB(){};
 
 
 /* ------------------------------ Setters ------------------------------ */

test/Makefile

@@ -16,7 +16,7 @@ ROOT_DIR := $(shell dirname $(PWD))
 INCLUDE = -I$(ROOT_DIR)/include -I$(ROOT_DIR)/test
 
 # Libraries
-LIBS = -DARMA_DONT_USE_WRAPPER -L$(ROOT_DIR) -L$(ROOT_DIR)/test -lxatu -larmadillo -lopenblas -llapack -larpack -fopenmp -lgfortran
+LIBS = -DARMA_DONT_USE_WRAPPER -L$(ROOT_DIR) -L$(ROOT_DIR)/test -lxatu -lgtest -larmadillo -lopenblas -llapack -larpack -fopenmp -lgfortran
 
 dummy_bin_folder := $(shell mkdir -p bin)