diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml
new file mode 100644
index 000000000..c29b256b3
--- /dev/null
+++ b/.github/workflows/ci.yaml
@@ -0,0 +1,19 @@
+name: CI
+
+on:
+  workflow_dispatch:
+  pull_request:
+    branches: [ develop ]
+  push:
+    branches: [ develop ]
+
+permissions:
+  contents: read
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
+jobs:
+  tests:
+    uses: ./.github/workflows/step_test.yaml
diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml
deleted file mode 100644
index 4d850d6f2..000000000
--- a/.github/workflows/main.yml
+++ /dev/null
@@ -1,68 +0,0 @@
-name: CI
-
-on:
-  pull_request:
-  push:
-    branches:
-    - develop
-    
-jobs:
-  pre-commit:
-    runs-on: ubuntu-20.04
-    steps:
-      - uses: actions/checkout@v2
-      - uses: actions/setup-python@v2
-      - uses: pre-commit/action@v2.0.0
-
-  build:
-    runs-on: ubuntu-20.04
-    strategy:
-      matrix:
-        w90-binary-parallel: [ 'false', 'true' ]
-    name: Build and test `parallel=${{ matrix.w90-binary-parallel }}`
-    steps:
-      - name: checkout
-        uses: actions/checkout@v2
-      - name: setup python
-        uses: actions/setup-python@v2
-        with:
-          python-version: 3.6
-      - name: install dependencies
-        run: |
-          sudo apt-get update
-          sudo apt-get install  \
-            gfortran            \
-            libblas-dev         \
-            liblapack-dev       \
-            openmpi-bin         \
-            libopenmpi-dev
-          pip install --upgrade pip
-          pip install   \
-            numpy       \
-            matplotlib  \
-      - name: build
-        env:
-          W90BINARYPARALLEL: ${{ matrix.w90-binary-parallel }}
-        run: |
-          if [ "$W90BINARYPARALLEL" == "true" ] ; then
-            cp ./.github/workflows/config/make.inc.gfort+openmpi ./make.inc
-          else
-            cp ./.github/workflows/config/make.inc.gfort ./make.inc
-          fi
-          #make -j default w90chk2chk libs
-          make all
-      - name: run tests
-        env:
-          W90BINARYPARALLEL: ${{ matrix.w90-binary-parallel }}
-        run: |
-          ./.github/workflows/run_tests.sh
-      - name: compute coverage
-        uses: codecov/codecov-action@v1
-      - name: archive test results
-        if: ${{ always() }}
-        uses: actions/upload-artifact@v2
-        with:
-          name: test-results_parallel=${{ matrix.w90-binary-parallel }}
-          path: |
-            test-suite/tests/test*/test.err*
-            test-suite/tests/test*/test.out*
diff --git a/.github/workflows/run_tests.sh b/.github/workflows/run_tests.sh
deleted file mode 100755
index 55dd3df9a..000000000
--- a/.github/workflows/run_tests.sh
+++ /dev/null
@@ -1,41 +0,0 @@
-#!/bin/bash
-
-set -e
-
-TESTDIR=$(pwd)/test-suite/
-echo $TESTDIR
-cd "$TESTDIR"
-
-echo "****************************************"
-echo "* RUNNING SERIAL TEST FOR LIBRARY MODE *"
-echo "****************************************"
-cd library-mode-test
-# Create the binary for testing
-make
-# remove the output file from old runs, if there
-rm -f results.dat
-# Run it - if it crashes it should give a non-zero error
-./test_library_serial.x
-# Check the output values
-./compare_results.py
-
-## Going back to the test dir
-cd "$TESTDIR"
-
-# Default: serial, no mpirun. Run these in any case
-echo "************************"
-echo "* RUNNING SERIAL TESTS *"
-echo "************************"
-./run_tests --category=default
-
-if [ "$W90BINARYPARALLEL" == "true" ]
-then
-    # If running in parallel: run also the tests in parallel
-    echo ""
-    echo "**************************"
-    echo "* RUNNING PARALLEL TESTS *"
-    echo "**************************"
-    # I hardcode the numprocs to four, in case change it or set it as an ENV
-    # var in the .travis.yml
-    ./run_tests --category=par --numprocs=2
-fi
diff --git a/.github/workflows/step_test.yaml b/.github/workflows/step_test.yaml
new file mode 100644
index 000000000..3ce7d5095
--- /dev/null
+++ b/.github/workflows/step_test.yaml
@@ -0,0 +1,100 @@
+name: test
+run-name: Run tests
+
+concurrency:
+  group: ${{ github.ref }}
+  cancel-in-progress: true
+
+on:
+  workflow_call:
+
+permissions:
+  contents: read
+
+jobs:
+  pre-commit:
+    name: Check pre-commit
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v3
+      - uses: actions/setup-python@v4
+      - uses: pre-commit/action@v3.0.0
+
+  tests:
+    name: Check on ${{ matrix.toolchain }} toolchain ${{ matrix.mpi }}
+    runs-on: ${{ matrix.os || 'ubuntu-latest' }}
+    container: ${{ !matrix.os && 'ghcr.io/lecrisut/dev-env:main' || '' }}
+    needs: [ pre-commit ]
+    continue-on-error: ${{ matrix.experimental || false }}
+    strategy:
+      fail-fast: false
+      matrix:
+        toolchain: [ gcc, llvm, intel ]
+        mpi: ['', openmpi, mpich, intel]
+        include:
+          # flang is missing features in 16.0.6
+          - toolchain: llvm
+            experimental: true
+    steps:
+      - name: Install missing packages
+        run: dnf install -y bzip2 python-unversioned-command
+      - name: Load mpi module ${{ matrix.mpi }}
+        run: |
+          # Get interactive profile to be able to load modules
+          source /etc/profile
+          
+          # Save the current environment since we only want the added difference
+          printenv > orig_env
+          
+          # Load the relevant mpi module
+          module load mpi/${{ matrix.mpi }}
+          printenv > module_env
+          
+          diff orig_env module_env | sed -n 's/> //p' >> $GITHUB_ENV
+          
+          # Set MPI flag on
+          echo "WITH_MPI=ON" >> $GITHUB_ENV
+        if: ${{ matrix.mpi }}
+      - name: Enable msvc toolchain on windows
+        uses: ilammy/msvc-dev-cmd@v1
+        if: contains(matrix.os, 'windows')
+      - name: Activate Intel compilers
+        run: |
+          source /etc/profile
+          printenv > orig_env
+          module load compiler
+          printenv > module_env
+          diff orig_env module_env | sed -n 's/> //p' >> $GITHUB_ENV
+          echo $PATH >> $GITHUB_PATH
+        if: matrix.toolchain == 'intel'
+      - uses: actions/checkout@v3
+      - uses: lukka/get-cmake@latest
+      - name: Run CMake configuration for ${{ matrix.toolchain }} toolchain
+        uses: lukka/run-cmake@v10.3
+        with:
+          workflowPreset: "${{ matrix.toolchain }}-ci"
+
+  coverage:
+    name: Check test coverage
+    runs-on: ubuntu-latest
+    needs: [ tests ]
+    steps:
+      - uses: actions/checkout@v3
+      - uses: lukka/get-cmake@latest
+      - name: Get test coverage
+        uses: lukka/run-cmake@v10.3
+        with:
+          workflowPreset: ci-coverage
+      - name: Get lcov data
+        uses: danielealbano/lcov-action@v3
+        with:
+          # Note lcov-action prepends and appends wild-cards *. Account for those
+          # https://github.com/danielealbano/lcov-action/issues/11
+          remove_patterns: /test/,/cmake-build*/
+      - name: Upload coverage to Codecov
+        uses: codecov/codecov-action@v3
+        with:
+          name: ${{ matrix.coverage }} coverage
+          files: coverage.info
+          flags: ${{ matrix.coverage }}
+          verbose: true
diff --git a/.gitignore b/.gitignore
index 4e7318d5a..f3d70e966 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,13 +1,31 @@
-wannier90.x
-postw90.x
-.DS_Store
-make.inc
-w90chk2chk.x
-w90spn2spn.x
-libwannier.a
-libwan2.a
-libwannier.so
-libwannier.dylib
-*~
-*.x.dSYM
+### Build system
+cmake-build-*/
+build/
+CMakeLists.txt.user
+CMakeCache.txt
+CMakeFiles
+CMakeScripts
+Testing
+Makefile
+cmake_install.cmake
+install_manifest.txt
+compile_commands.json
+CTestTestfile.cmake
+_deps
+
+
+### Other
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+### IDE files
 .vscode
+/.idea
+
+### Project files
+/CMakeUserPresets.json
diff --git a/CMakeLists.txt b/CMakeLists.txt
new file mode 100644
index 000000000..f6b8a345e
--- /dev/null
+++ b/CMakeLists.txt
@@ -0,0 +1,177 @@
+cmake_minimum_required(VERSION 3.18)
+
+#[==============================================================================================[
+#                                   Basic project definition                                   #
+]==============================================================================================]
+
+project(Wannier90
+		VERSION 4.0.0
+		DESCRIPTION "Compute maximally-localised Wannier functions."
+		HOMEPAGE_URL https://www.wannier90.org
+		LANGUAGES Fortran
+		)
+
+# Back-porting to PROJECT_IS_TOP_LEVEL to older cmake
+# TODO: Remove when requiring cmake >= 3.21
+if (NOT DEFINED Spglib_IS_TOP_LEVEL)
+	if (CMAKE_PROJECT_NAME STREQUAL PROJECT_NAME)
+		set(PROJECT_IS_TOP_LEVEL ON)
+	else ()
+		set(PROJECT_IS_TOP_LEVEL OFF)
+	endif ()
+endif ()
+if (NOT CMAKE_BUILD_TYPE)
+	set(CMAKE_BUILD_TYPE Release)
+endif ()
+
+#[==============================================================================================[
+#                                            Options                                            #
+]==============================================================================================]
+
+option(WANNIER90_WITH_MPI "Wannier90: Build library as a shared library" OFF)
+option(WANNIER90_SHARED_LIBS "Wannier90: Build library as a shared library" ${PROJECT_IS_TOP_LEVEL})
+option(WANNIER90_INSTALL "Wannier90: Install files" ${PROJECT_IS_TOP_LEVEL})
+option(WANNIER90_TEST "Wannier90: Build unit tests" ${PROJECT_IS_TOP_LEVEL})
+
+#[==============================================================================================[
+#                                     Project configuration                                     #
+]==============================================================================================]
+
+if (NOT CMAKE_BUILD_TYPE)
+	set(CMAKE_BUILD_TYPE Release)
+endif ()
+if (NOT CMAKE_Fortran_MODULE_DIRECTORY)
+	set(CMAKE_Fortran_MODULE_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/fortran_mods)
+endif ()
+set(BUILD_SHARED_LIBS ${WANNIER90_SHARED_LIBS})
+
+if (WANNIER90_INSTALL)
+	include(GNUInstallDirs)
+	include(CMakePackageConfigHelpers)
+
+	# TODO: Remove when requiring cmake >= 3.20
+	if (NOT COMMAND cmake_path)
+		# Note: This is not an actual replacement of cmake_path, just a minimal implementation for
+		# this project
+		include(cmake/compat/cmake_path.cmake)
+	endif ()
+
+	# CMake does not properly support fortran module installation paths.
+	# Adapting the standard from fortran-stdlib
+	# https://gitlab.kitware.com/cmake/cmake/-/issues/19608
+	# https://discourse.cmake.org/t/api-design-c-modules-source-listings-and-interface-properties/5389/14
+	cmake_path(APPEND CMAKE_INSTALL_INCLUDEDIR ${PROJECT_NAME} "${CMAKE_Fortran_COMPILER_ID}-${CMAKE_Fortran_COMPILER_VERSION}"
+			OUTPUT_VARIABLE _DEFAULT_CMAKE_INSTALL_MODULEDIR)
+	set(CMAKE_INSTALL_MODULEDIR ${_DEFAULT_CMAKE_INSTALL_MODULEDIR}
+			CACHE STRING
+			"Fortran module installation path (Not a cmake native variable)"
+	)
+	cmake_path(IS_ABSOLUTE CMAKE_INSTALL_MODULEDIR _is_absolute)
+	if (_is_absolute)
+		set(CMAKE_INSTALL_FULL_MODULEDIR ${CMAKE_INSTALL_MODULEDIR})
+	else ()
+		cmake_path(APPEND CMAKE_INSTALL_PREFIX ${CMAKE_INSTALL_MODULEDIR}
+				OUTPUT_VARIABLE CMAKE_INSTALL_FULL_MODULEDIR)
+	endif ()
+endif ()
+
+#[==============================================================================================[
+#                                       External packages                                       #
+]==============================================================================================]
+
+## Third-party libraries
+find_package(BLAS REQUIRED)
+find_package(LAPACK REQUIRED)
+if (WANNIER90_WITH_MPI)
+	find_package(MPI REQUIRED)
+endif ()
+
+#[==============================================================================================[
+#                                        Main definition                                        #
+]==============================================================================================]
+
+## Main targets
+add_executable(Wannier90_exe)
+set_target_properties(Wannier90_exe PROPERTIES
+		OUTPUT_NAME wannier90.x
+		EXPORT_NAME exe)
+add_executable(Wannier90::exe ALIAS Wannier90_exe)
+add_executable(Wannier90_post)
+set_target_properties(Wannier90_post PROPERTIES
+		OUTPUT_NAME postw90.x
+		EXPORT_NAME post)
+add_executable(Wannier90::post ALIAS Wannier90_post)
+add_library(Wannier90_lib)
+set_target_properties(Wannier90_lib PROPERTIES
+		OUTPUT_NAME wannier90
+		EXPORT_NAME wannier90
+		VERSION ${PROJECT_VERSION}
+		SOVERSION ${PROJECT_VERSION_MAJOR})
+add_library(Wannier90::wannier90 ALIAS Wannier90_lib)
+
+## Main implementations
+add_subdirectory(src)
+
+## Testing
+if (WANNIER90_TEST)
+	enable_testing()
+	add_executable(w90chk2chk.x)
+	add_executable(w90spn2spn.x)
+	add_subdirectory(test-suite)
+endif ()
+
+#[==============================================================================================[
+#                                       Install or Export                                       #
+]==============================================================================================]
+
+## Installs
+if (WANNIER90_INSTALL)
+	configure_file(cmake/wannier90.pc.in wannier90.pc)
+	install(FILES ${CMAKE_CURRENT_BINARY_DIR}/wannier90.pc
+			DESTINATION ${CMAKE_INSTALL_LIBDIR}/pkgconfig
+			COMPONENT Wannier90_Development)
+	write_basic_package_version_file(
+			${CMAKE_CURRENT_BINARY_DIR}/Wannier90ConfigVersion.cmake
+			VERSION ${PROJECT_VERSION}
+			COMPATIBILITY SameMajorVersion)
+	configure_package_config_file(
+			cmake/Wannier90Config.cmake.in
+			Wannier90Config.cmake
+			INSTALL_DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/Wannier90)
+	install(FILES ${CMAKE_CURRENT_BINARY_DIR}/Wannier90ConfigVersion.cmake
+			${CMAKE_CURRENT_BINARY_DIR}/Wannier90Config.cmake
+			DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/Wannier90
+			COMPONENT Spglib_Development)
+	install(EXPORT Wannier90Targets
+			FILE Wannier90Targets.cmake
+			NAMESPACE Wannier90::
+			DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/Wannier90
+			COMPONENT Wannier90_Development)
+	export(EXPORT Wannier90Targets
+			FILE Wannier90Targets.cmake
+			NAMESPACE Wannier90::)
+endif ()
+
+## Make project available to FetchContent
+if (NOT PROJECT_IS_TOP_LEVEL)
+	# Propagate variables for FetchContent
+	# All variables have to be consistent with CMakeExtraUtilsConfig.cmake
+	set(Wannier90_MPI ${WANNIER90_WITH_MPI})
+	if (CMAKE_VERSION VERSION_LESS 3.25)
+		# TODO: Remove when cmake 3.25 is commonly distributed
+		set(Wannier90_VERSION ${Wannier90_VERSION} PARENT_SCOPE)
+		set(Wannier90_VERSION_MAJOR ${Wannier90_VERSION_MAJOR} PARENT_SCOPE)
+		set(Wannier90_VERSION_MINOR ${Wannier90_VERSION_MINOR} PARENT_SCOPE)
+		set(Wannier90_VERSION_PATCH ${Wannier90_VERSION_PATCH} PARENT_SCOPE)
+		set(Wannier90_VERSION_TWEAK ${Wannier90_VERSION_TWEAK} PARENT_SCOPE)
+		set(Wannier90_MPI ${Wannier90_MPI} PARENT_SCOPE)
+	endif ()
+	return(PROPAGATE
+			Wannier90_VERSION
+			Wannier90_VERSION_MAJOR
+			Wannier90_VERSION_MINOR
+			Wannier90_VERSION_PATCH
+			Wannier90_VERSION_TWEAK
+			Wannier90_MPI
+			)
+endif ()
diff --git a/CMakePresets.json b/CMakePresets.json
new file mode 100644
index 000000000..6d55c7c1c
--- /dev/null
+++ b/CMakePresets.json
@@ -0,0 +1,12 @@
+{
+  "version": 6,
+  "cmakeMinimumRequired": {
+    "major": 3,
+    "minor": 25,
+    "patch": 0
+  },
+  "include": [
+    "cmake/CMakePresets-defaults.json",
+    "cmake/CMakePresets-CI.json"
+  ]
+}
\ No newline at end of file
diff --git a/Makefile b/Makefile
deleted file mode 100644
index fdde004f9..000000000
--- a/Makefile
+++ /dev/null
@@ -1,232 +0,0 @@
-ifndef ROOTDIR
-ROOTDIR=.
-endif
-
-REALMAKEFILE=../Makefile.2
-
-TAR := $(shell if which gnutar 1>/dev/null 2> /dev/null; then echo gnutar; else echo tar; fi )
-
-default: wannier post
-
-PREFIX ?= /usr
-
-VERSION_MAJOR = 3
-VERSION_MINOR = 1
-VERSION_PATCH = 0
-
-VERSION = $(VERSION_MAJOR).$(VERSION_MINOR).$(VERSION_PATCH)
-VERSION_SHORT = $(VERSION_MAJOR).$(VERSION_MINOR)
-
-install: default
-	install -d $(DESTDIR)$(PREFIX)/bin/
-	for x in wannier90.x postw90.x w90chk2chk.x w90spn2spn.x ; do \
-		if [ -f "$$x" ]; then install -m755 "$$x" "$(DESTDIR)$(PREFIX)/bin/$$x"; fi; \
-	done
-	if [ -f "utility/w90pov/w90pov" ]; then install -m755 "utility/w90pov/w90pov" "$(DESTDIR)$(PREFIX)/bin/w90pov"; fi;
-	if [ -f "utility/w90vdw/w90vdw.x" ]; then install -m755 "utility/w90vdw/w90vdw.x" "$(DESTDIR)$(PREFIX)/bin/w90vdw.x"; fi;
-	install -d $(DESTDIR)$(PREFIX)/lib/
-	if [ -f "libwannier.a" ]; then install -m644 "libwannier.a" "$(DESTDIR)$(PREFIX)/lib/libwannier.a"; fi;
-	if [ -f "libwannier.a" ]; then $(MAKE) pkgconfig; fi;
-
-all: wannier lib post w90chk2chk w90pov w90vdw w90spn2spn
-
-doc: thedoc
-
-w90chk2chk: objdir
-	(cd $(ROOTDIR)/src/obj && $(MAKE) -f $(REALMAKEFILE) w90chk2chk)
-
-w90spn2spn: objdir
-	(cd $(ROOTDIR)/src/obj && $(MAKE) -f $(REALMAKEFILE) w90spn2spn)
-
-wannier: objdir
-	(cd $(ROOTDIR)/src/obj && $(MAKE) -f $(REALMAKEFILE) wannier)
-
-lib: objdir
-	(cd $(ROOTDIR)/src/obj && $(MAKE) -f $(REALMAKEFILE) libs)
-
-dynlib: objdir
-	(cd $(ROOTDIR)/src/obj && $(MAKE) -f $(REALMAKEFILE) dynlibs)
-
-w90pov:
-	(cd $(ROOTDIR)/utility/w90pov && $(MAKE) )
-
-w90vdw:
-	(cd $(ROOTDIR)/utility/w90vdw && $(MAKE) )
-
-libs: lib
-
-PKGCONFIG_FILENAME = wannier.pc
-pkgconfig:
-	$(file > $(PKGCONFIG_FILENAME),prefix=$(DESTDIR)$(PREFIX))
-	$(file >> $(PKGCONFIG_FILENAME),exec_prefix=$(DESTDIR)$(PREFIX)/bin)
-	$(file >> $(PKGCONFIG_FILENAME),libdir=$(DESTDIR)$(PREFIX)/lib)
-	$(file >> $(PKGCONFIG_FILENAME),includedir=$(DESTDIR)$(PREFIX)/include)
-	$(file >> $(PKGCONFIG_FILENAME),)
-	$(file >> $(PKGCONFIG_FILENAME),Name: wannier)
-	$(file >> $(PKGCONFIG_FILENAME),Description: Compute maximally-localised Wannier functions.)
-	$(file >> $(PKGCONFIG_FILENAME),Requires: )
-	$(file >> $(PKGCONFIG_FILENAME),Version: $(VERSION))
-	$(file >> $(PKGCONFIG_FILENAME),Libs: -L$${libdir} -lwannier)
-	$(file >> $(PKGCONFIG_FILENAME),Cflags: -I$${includedir})
-	install -D -m644 "$(PKGCONFIG_FILENAME)" "$(DESTDIR)$(PREFIX)/lib/pkgconfig/$(PKGCONFIG_FILENAME)"
-	cd $(ROOTDIR) && rm -f $(PKGCONFIG_FILENAME)
-
-post: objdir
-	(cd $(ROOTDIR)/src/obj && $(MAKE) -f $(REALMAKEFILE) post)
-
-clean:
-	cd $(ROOTDIR) && rm -f *~
-	cd $(ROOTDIR) && rm -f src/*~
-	cd $(ROOTDIR) && rm -f $(PKGCONFIG_FILENAME)
-	@( cd $(ROOTDIR) && if [ -d src/obj ] ; \
-		then cd src/obj && \
-		$(MAKE) -f $(REALMAKEFILE) clean && \
-		cd ../ && rm -rf obj ; \
-	fi )
-	$(MAKE) -C $(ROOTDIR)/doc/user_guide clean
-	$(MAKE) -C $(ROOTDIR)/doc/tutorial clean
-	$(MAKE) -C $(ROOTDIR)/utility/w90pov clean
-	$(MAKE) -C $(ROOTDIR)/utility/w90vdw clean
-	cd $(ROOTDIR)/test-suite && ./clean_tests
-
-veryclean: clean
-	cd $(ROOTDIR) && rm -f wannier90.x postw90.x libwannier.a libwan2.a w90chk2chk.x w90spn2spn.x
-	cd $(ROOTDIR)/doc && rm -f user_guide.pdf tutorial.pdf
-	cd $(ROOTDIR)/doc/user_guide && rm -f user_guide.ps
-	cd $(ROOTDIR)/doc/tutorial && rm -f tutorial.ps
-	cd $(ROOTDIR)/test-suite && ./clean_tests -i
-
-thedoc:
-	$(MAKE) -C $(ROOTDIR)/doc/user_guide
-	$(MAKE) -C $(ROOTDIR)/doc/tutorial
-
-# For now hardcoded to 3.1.0, and using HEAD
-# Better to get the version from the io.F90 file and use
-# the tag (e.g. v3.1.0) instead of HEAD
-dist:
-	cd $(ROOTDIR) && git archive HEAD --prefix=wannier90-3.1.0/ -o wannier90-3.1.0.tar.gz
-
-dist-legacy:
-	@(cd $(ROOTDIR) && $(TAR) -cz --transform='s,^\./,wannier90-3.1/,' -f wannier90-3.1.tar.gz \
-		./src/*.?90 \
-		./src/postw90/*.?90 \
-		./autodoc/README.txt \
-		./autodoc/*.md \
-		./autodoc/media/favicon*png \
-		./examples/README \
-		./examples/example01/UNK* \
-		./examples/*/*.win \
-		./examples/example0[2-4]/*.eig \
-                ./examples/example0[1-4]/*.*mn \
-		./examples/example0[5-9]/*.scf \
-		./examples/example1[0-3]/*.scf \
-		./examples/example0[5-9]/*.nscf \
-		./examples/example1[0-3]/*.nscf \
-		./examples/example0[5-9]/*.pw2wan \
-		./examples/example1[0-3]/*.pw2wan \
-		./examples/example1[4-5]/defected/*.scf \
-		./examples/example1[4-5]/defected/*.nscf \
-		./examples/example1[4-5]/defected/*.win \
-		./examples/example1[4-5]/defected/*.pw2wan \
-                ./examples/example1[4-5]/periodic/*.scf \
-                ./examples/example1[4-5]/periodic/*.nscf \
-                ./examples/example1[4-5]/periodic/*.win \
-                ./examples/example1[4-5]/periodic/*.pw2wan \
-                ./examples/example16-noqe/Si.amn \
-                ./examples/example16-noqe/Si.mmn \
-                ./examples/example16-noqe/Si.eig \
-                ./examples/example16-withqe/Si.scf \
-                ./examples/example16-withqe/Si.nscf \
-                ./examples/example16-withqe/Si.pw2wan \
-		./examples/example1[7-9]/*.scf \
-		./examples/example1[7-9]/*.nscf \
-		./examples/example1[7-9]/*.pw2wan \
-		./examples/example20/*.scf \
-		./examples/example20/*.nscf \
-		./examples/example20/*.pw2wan \
-		./examples/example20/SrMnO3/SrMnO3-d.pw2wan \
-		./examples/example20/SrMnO3/SrMnO3-d.win \
-		./examples/example20/SrMnO3/SrMnO3-eg.pw2wan \
-		./examples/example20/SrMnO3/SrMnO3-eg.win \
-		./examples/example20/SrMnO3/SrMnO3.nscf \
-		./examples/example20/SrMnO3/SrMnO3.scf \
-		./examples/example20/SrMnO3/SrMnO3-t2g.pw2wan \
-		./examples/example20/SrMnO3/SrMnO3-t2g.win \
-		./examples/example2[1-2]/README \
-		./examples/example2[1-2]/*/*.scf \
-		./examples/example2[1-2]/*/*.nscf \
-		./examples/example2[1-2]/*/*.win \
-		./examples/example2[1-2]/*/*.sym \
-		./examples/example2[1-2]/*/*.pw2wan \
-		./pseudo/*.UPF \
-		./pwscf/README \
-		./pwscf/v*/*.f90 \
-		./pwscf/v*/README \
-		./config/make.inc* \
-		./utility/*.pl \
-		./utility/PL_assessment/*.f90 \
-		./utility/PL_assessment/README \
-		./utility/w90vdw/w90vdw.f90 \
-		./utility/w90vdw/README \
-		./utility/w90vdw/doc/Makefile \
-		./utility/w90vdw/doc/w90vdw.tex \
-		./utility/w90vdw/examples/benzene_s_val/benzene_s_val.* \
-                ./utility/w90vdw/examples/benzene_s_val/ref/benzene_s_val.* \
-                ./utility/w90vdw/examples/benzene_s_cond/benzene_s_cond.* \
-                ./utility/w90vdw/examples/benzene_s_cond/ref/benzene_s_cond.* \
-		./utility/w90pov/doc/*.tex \
-		./utility/w90pov/doc/*.pdf \
-		./utility/w90pov/doc/figs/*.png \
-		./utility/w90pov/src/*.f90 \
-		./utility/w90pov/src/*.c \
-		./utility/w90pov/examples/*/*.gz \
-		./utility/w90pov/examples/*/*.inp \
-		./utility/w90pov/examples/*/*.inc \
-		./utility/w90pov/examples/*/*.pov \
-		./utility/w90pov/examples/*/ref/*.png \
-		./utility/w90pov/README \
-		./utility/w90chk2chk/README \
-                ./doc/*/*.tex \
-                ./doc/*/*.eps \
-                ./doc/*/*.fig \
-		./doc/wannier90.bib \
-		./*/Makefile \
-		./*/Makefile.2 \
-		./*/*/Makefile \
-		./Makefile \
-		./LICENSE \
-		./README* \
-		./CHANGE.log \
-	)
-
-test-serial: w90chk2chk wannier post
-	(cd $(ROOTDIR)/test-suite && ./run_tests --category=default )
-
-test-parallel: w90chk2chk wannier post 
-	(cd $(ROOTDIR)/test-suite && ./run_tests --category=par --numprocs=4 )
-
-# Alias
-tests: test-serial test-parallel
-
-dist-lite:
-	@(cd $(ROOTDIR) && $(TAR) -cz --transform='s,^\./,wannier90/,' -f wannier90.tar.gz \
-		./src/*.?90 \
-		./src/postw90/*.?90 \
-		./config/* \
-		./*/Makefile \
-		./utility/*.pl \
-		./*/Makefile \
-		./*/Makefile.2 \
-		./*/*/Makefile \
-		./Makefile \
-		./LICENSE \
-		./README.* \
-		./CHANGE.log \
-	)
-
-objdir:
-	@( cd $(ROOTDIR) && if [ ! -d src/obj ] ; \
-		then mkdir src/obj ; \
-	fi ) ;
-
-.PHONY: wannier default all doc lib libs post clean veryclean thedoc dist test-serial test-parallel dist-lite objdir objdirp tests w90spn2spn install pkgconfig
diff --git a/cmake/CMakePresets-CI.json b/cmake/CMakePresets-CI.json
new file mode 100644
index 000000000..e2979c3c4
--- /dev/null
+++ b/cmake/CMakePresets-CI.json
@@ -0,0 +1,197 @@
+{
+  "version": 6,
+  "include": [
+    "CMakePresets-defaults.json"
+  ],
+  "configurePresets": [
+    {
+      "name": "ci-base",
+      "hidden": true,
+      "generator": "Ninja",
+      "inherits": [
+        "default"
+      ],
+      "cacheVariables": {
+        "WANNIER90_TEST": {
+          "type": "BOOL",
+          "value": true
+        },
+        "WANNIER90_WITH_MPI": {
+          "type": "BOOL",
+          "value": "$env{WITH_MPI}"
+        }
+      },
+      "errors": {
+        "deprecated": true
+      }
+    },
+    {
+      "name": "gcc-ci",
+      "displayName": "Configure preset for GCC toolchain",
+      "inherits": [
+        "ci-base"
+      ],
+      "binaryDir": "cmake-build-gcc",
+      "cacheVariables": {
+        "CMAKE_Fortran_COMPILER": {
+          "type": "FILEPATH",
+          "value": "gfortran"
+        }
+      }
+    },
+    {
+      "name": "llvm-ci",
+      "displayName": "Configure preset for LLVM toolchain",
+      "inherits": [
+        "ci-base"
+      ],
+      "binaryDir": "cmake-build-gcc",
+      "cacheVariables": {
+        "CMAKE_Fortran_COMPILER": {
+          "type": "FILEPATH",
+          "value": "flang-new"
+        }
+      }
+    },
+    {
+      "name": "intel-ci",
+      "displayName": "Configure preset for Intel toolchain",
+      "inherits": [
+        "ci-base"
+      ],
+      "binaryDir": "cmake-build-intel",
+      "cacheVariables": {
+        "CMAKE_Fortran_COMPILER": {
+          "type": "FILEPATH",
+          "value": "ifx"
+        }
+      }
+    }
+  ],
+  "buildPresets": [
+    {
+      "name": "ci-base",
+      "hidden": true,
+      "inherits": [
+        "default"
+      ],
+      "cleanFirst": true
+    },
+    {
+      "name": "gcc-ci",
+      "displayName": "Build preset for GCC toolchain",
+      "inherits": [
+        "ci-base"
+      ],
+      "configurePreset": "gcc-ci"
+    },
+    {
+      "name": "llvm-ci",
+      "displayName": "Build preset for LLVM toolchain",
+      "inherits": [
+        "ci-base"
+      ],
+      "configurePreset": "llvm-ci"
+    },
+    {
+      "name": "intel-ci",
+      "displayName": "Build preset for Intel toolchain",
+      "inherits": [
+        "ci-base"
+      ],
+      "configurePreset": "intel-ci"
+    }
+  ],
+  "testPresets": [
+    {
+      "name": "ci-base",
+      "hidden": true,
+      "inherits": [
+        "default"
+      ],
+      "output": {
+        "outputOnFailure": true
+      }
+    },
+    {
+      "name": "gcc-ci",
+      "displayName": "Test preset for GCC toolchain",
+      "inherits": [
+        "ci-base"
+      ],
+      "configurePreset": "gcc-ci"
+    },
+    {
+      "name": "llvm-ci",
+      "displayName": "Test preset for LLVM toolchain",
+      "inherits": [
+        "ci-base"
+      ],
+      "configurePreset": "llvm-ci"
+    },
+    {
+      "name": "intel-ci",
+      "displayName": "Test preset for Intel toolchain",
+      "inherits": [
+        "ci-base"
+      ],
+      "configurePreset": "intel-ci"
+    }
+  ],
+  "workflowPresets": [
+    {
+      "name": "gcc-ci",
+      "displayName": "CI test for GCC toolchain",
+      "steps": [
+        {
+          "type": "configure",
+          "name": "gcc-ci"
+        },
+        {
+          "type": "build",
+          "name": "gcc-ci"
+        },
+        {
+          "type": "test",
+          "name": "gcc-ci"
+        }
+      ]
+    },
+    {
+      "name": "llvm-ci",
+      "displayName": "CI test for LLVM toolchain",
+      "steps": [
+        {
+          "type": "configure",
+          "name": "llvm-ci"
+        },
+        {
+          "type": "build",
+          "name": "llvm-ci"
+        },
+        {
+          "type": "test",
+          "name": "llvm-ci"
+        }
+      ]
+    },
+    {
+      "name": "intel-ci",
+      "displayName": "CI test for Intel toolchain",
+      "steps": [
+        {
+          "type": "configure",
+          "name": "intel-ci"
+        },
+        {
+          "type": "build",
+          "name": "intel-ci"
+        },
+        {
+          "type": "test",
+          "name": "intel-ci"
+        }
+      ]
+    }
+  ]
+}
diff --git a/cmake/CMakePresets-defaults.json b/cmake/CMakePresets-defaults.json
new file mode 100644
index 000000000..759e4d9b6
--- /dev/null
+++ b/cmake/CMakePresets-defaults.json
@@ -0,0 +1,89 @@
+{
+  "version": 6,
+  "configurePresets": [
+    {
+      "name": "default",
+      "displayName": "Default configuration preset",
+      "binaryDir": "cmake-build-release",
+      "cacheVariables": {
+        "CMAKE_BUILD_TYPE": {
+          "type": "STRING",
+          "value": "Release"
+        }
+      }
+    },
+    {
+      "name": "mpi",
+      "displayName": "MPI configuration preset",
+      "binaryDir": "cmake-build-mpi",
+      "cacheVariables": {
+        "WANNIER90_WITH_MPI": {
+          "type": "BOOL",
+          "value": true
+        }
+      }
+    }
+  ],
+  "buildPresets": [
+    {
+      "name": "default",
+      "displayName": "Default build preset",
+      "configurePreset": "default"
+    },
+    {
+      "name": "mpi",
+      "displayName": "MPI build preset",
+      "configurePreset": "mpi"
+    }
+  ],
+  "testPresets": [
+    {
+      "name": "default",
+      "displayName": "Default test preset",
+      "configurePreset": "default"
+    },
+    {
+      "name": "mpi",
+      "displayName": "MPI test preset",
+      "configurePreset": "mpi"
+    }
+  ],
+  "workflowPresets": [
+    {
+      "name": "default",
+      "displayName": "Default workflow",
+      "steps": [
+        {
+          "type": "configure",
+          "name": "default"
+        },
+        {
+          "type": "build",
+          "name": "default"
+        },
+        {
+          "type": "test",
+          "name": "default"
+        }
+      ]
+    },
+    {
+      "name": "mpi",
+      "displayName": "MPI workflow",
+      "steps": [
+        {
+          "type": "configure",
+          "name": "mpi"
+        },
+        {
+          "type": "build",
+          "name": "mpi"
+        },
+        {
+          "type": "test",
+          "name": "mpi"
+        }
+      ]
+    }
+  ]
+}
\ No newline at end of file
diff --git a/cmake/Wannier90Config.cmake.in b/cmake/Wannier90Config.cmake.in
new file mode 100644
index 000000000..5718d5214
--- /dev/null
+++ b/cmake/Wannier90Config.cmake.in
@@ -0,0 +1,8 @@
+@PACKAGE_INIT@
+
+
+## Define basic variables
+set(Wannier90_MPI @WANNIER90_WITH_MPI@)
+
+## Parse find_package request
+include(${CMAKE_CURRENT_LIST_DIR}/Wannier90Targets.cmake)
diff --git a/cmake/compat/cmake_path.cmake b/cmake/compat/cmake_path.cmake
new file mode 100644
index 000000000..2c71cbfa0
--- /dev/null
+++ b/cmake/compat/cmake_path.cmake
@@ -0,0 +1,20 @@
+# Note: This is not an actual replacement of cmake_path, just a minimal implementation for
+# Wannier90 project
+function(cmake_path operator path_var)
+	if (NOT ${operator} STREQUAL APPEND)
+		message(FATAL_ERROR Unsupported operator)
+	endif ()
+
+	set(ARGS_Options)
+	set(ARGS_OneValue "OUTPUT_VARIABLE")
+	set(ARGS_MultiValue)
+	cmake_parse_arguments(ARGS "${ARGS_Options}" "${ARGS_OneValue}" "${ARGS_MultiValue}" ${ARGN})
+
+	if(NOT DEFINED ARGS_OUTPUT_VARIABLE)
+		set(ARGS_OUTPUT_VARIABLE ${path_var})
+	endif ()
+	set(${ARGS_OUTPUT_VARIABLE} ${${path_var}})
+	foreach (path IN LISTS ARGS_UNPARSED_ARGUMENTS)
+		set(${ARGS_OUTPUT_VARIABLE} "${${ARGS_OUTPUT_VARIABLE}}/${path}")
+	endforeach ()
+endfunction()
diff --git a/cmake/wannier90.pc.in b/cmake/wannier90.pc.in
new file mode 100644
index 000000000..35b293d1f
--- /dev/null
+++ b/cmake/wannier90.pc.in
@@ -0,0 +1,8 @@
+Name: wannier
+Version: @PROJECT_VERSION@
+Description: @PROJECT_DESCRIPTION@
+URL: @PROJECT_HOMEPAGE_URL@
+
+Libdir: @CMAKE_INSTALL_FULL_LIBDIR@
+Cflags: -I@CMAKE_INSTALL_FULL_MODULEDIR@ -I@CMAKE_INSTALL_FULL_INCLUDEDIR@
+Libs: -L@CMAKE_INSTALL_FULL_LIBDIR@ -lwannier90
diff --git a/config/make.inc.alpha b/config/make.inc.alpha
deleted file mode 100644
index 878e8de96..000000000
--- a/config/make.inc.alpha
+++ /dev/null
@@ -1,8 +0,0 @@
-#======
-# Alpha
-#======
-
-F90    = f90
-FCOPTS = -fast
-LDOPTS = -fast
-LIBS   = -lcxml
diff --git a/config/make.inc.g95 b/config/make.inc.g95
deleted file mode 100644
index 211ff4a8f..000000000
--- a/config/make.inc.g95
+++ /dev/null
@@ -1,20 +0,0 @@
-#===================
-# g95
-#===================
-F90 = g95
-FCOPTS = -O2
-LDOPTS = -O2
-
-
-#=======================
-# ATLAS Blas and LAPACK
-#=======================
-#LIBDIR = /usr/local/lib
-#LIBS = -L$(LIBDIR)  -llapack -lf77blas -lcblas -latlas
-
-
-#=======================
-# NETLIB LAPACK and BLAS
-#=======================
-#LIBDIR = /usr/local/lib
-#LIBS = -L$(LIBDIR)  -llapack -lblas
diff --git a/config/make.inc.gfort b/config/make.inc.gfort
deleted file mode 100644
index 1b61fb641..000000000
--- a/config/make.inc.gfort
+++ /dev/null
@@ -1,37 +0,0 @@
-#===================
-# gfortran
-#===================
-F90 = gfortran
-
-#Add next two lines for parallel postw90. Choose the correct name of the mpi f90 wrapper
-#COMMS  = mpi
-#MPIF90 = mpgfortran #mpif90
-
-FCOPTS = -O3
-LDOPTS =
-
-#Next two lines are good for debugging
-#FCOPTS = -fstrict-aliasing  -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace
-#LDOPTS = -fstrict-aliasing  -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace
-
-
-#=======================
-# ATLAS Blas and LAPACK
-#=======================
-#LIBDIR = /usr/local/lib
-#LIBS = -L$(LIBDIR)  -llapack -lf77blas -lcblas -latlas
-
-
-#=======================
-# NETLIB LAPACK and BLAS
-#=======================
-#LIBDIR = /rscratch/jry20/LIB/gfortran
-#LIBS = -L$(LIBDIR)  -llapack -lblas
-
-#=======================
-# System LAPACK and BLAS
-# e.g. use
-#   sudo apt-get install libblas-dev liblapack-dev
-# on Ubuntu
-#=======================
-LIBS = -llapack -lblas
diff --git a/config/make.inc.gfort.dynlib b/config/make.inc.gfort.dynlib
deleted file mode 100644
index 4f711bd38..000000000
--- a/config/make.inc.gfort.dynlib
+++ /dev/null
@@ -1,37 +0,0 @@
-#===================
-# gfortran
-#===================
-F90 = gfortran
-
-#Add next two lines for parallel postw90. Choose the correct name of the mpi f90 wrapper
-#COMMS  = mpi
-#MPIF90 = mpgfortran #mpif90
-
-FCOPTS = -O3 -fPIC
-LDOPTS = -fPIC
-
-#Next two lines are good for debugging
-#FCOPTS = -fstrict-aliasing  -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace
-#LDOPTS = -fstrict-aliasing  -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace
-
-
-#=======================
-# ATLAS Blas and LAPACK
-#=======================
-#LIBDIR = /usr/local/lib
-#LIBS = -L$(LIBDIR)  -llapack -lf77blas -lcblas -latlas
-
-
-#=======================
-# NETLIB LAPACK and BLAS
-#=======================
-#LIBDIR = /rscratch/jry20/LIB/gfortran
-#LIBS = -L$(LIBDIR)  -llapack -lblas
-
-#=======================
-# System LAPACK and BLAS
-# e.g. use
-#   sudo apt-get install libblas-dev liblapack-dev
-# on Ubuntu
-#=======================
-LIBS = -llapack -lblas
diff --git a/config/make.inc.gfort.travisci b/config/make.inc.gfort.travisci
deleted file mode 100644
index 21d4b040d..000000000
--- a/config/make.inc.gfort.travisci
+++ /dev/null
@@ -1,20 +0,0 @@
-#===================================
-# gfortran for the travis-ci service
-#===================================
-F90 = gfortran
-
-# Keep these committed - we test for the time being only the serial version
-#COMMS  = mpi
-#MPIF90 = mpgfortran #mpif90
-
-# Options for debugging  When we move to 4.9 add -fsanitize=leak
-FCOPTS = -fprofile-arcs -ftest-coverage  -fstrict-aliasing  -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace
-LDOPTS =  -fprofile-arcs -ftest-coverage -fstrict-aliasing  -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace
-
-#=======================
-# System LAPACK and BLAS
-# e.g. use
-#   sudo apt-get install libblas-dev liblapack-dev
-# on Ubuntu
-#=======================
-LIBS = -llapack -lblas
diff --git a/config/make.inc.ifort b/config/make.inc.ifort
deleted file mode 100644
index d4a4fab76..000000000
--- a/config/make.inc.ifort
+++ /dev/null
@@ -1,22 +0,0 @@
-
-#=====================================================
-# For Linux with intel version 11/12 on 64bit machines
-#=====================================================
-F90 = ifort
-COMMS=mpi
-MPIF90=mpiifort
-FCOPTS=-O2
-LDOPTS=-O2
-
-#========================================================
-# Intel mkl libraries. Set LIBPATH if not in default path
-#========================================================
-
-LIBDIR = /opt/intel/mkl/lib/intel64
-LIBS   =  -L$(LIBDIR) -lmkl_core -lmkl_intel_lp64 -lmkl_sequential -lpthread
-
-#=======================
-# ATLAS Blas and LAPACK
-#=======================
-#LIBDIR = /usr/local/lib
-#LIBS = -L$(LIBDIR)  -llapack -lf77blas -lcblas -latlas
diff --git a/config/make.inc.ifort_tcm b/config/make.inc.ifort_tcm
deleted file mode 100644
index 09c449ad8..000000000
--- a/config/make.inc.ifort_tcm
+++ /dev/null
@@ -1,26 +0,0 @@
-
-#=====================================================
-# For Linux with intel version 11/12 on 64bit machines
-# Setup for the machines in TCM Group, Cambridge
-#=====================================================
-F90 = ifort
-COMMS=mpi
-MPIF90=mpifort
-FCOPTS = -O3
-LDOPTS =
-
-#useful debuf options
-#FCOPTS=-Ddebug -O0 -g -fno-omit-frame-pointer -debug extended -traceback -C -Ddebug -stand f95 -warn all
-#LDOPTS=-Ddebug -O0 -g -fno-omit-frame-pointer -debug extended -traceback -C -Ddebug -stand f95 -warn all
-
-#========================================================
-# Intel mkl libraries. Set LIBPATH if not in default path
-#========================================================
-
-LIBS   =  -L$(LIBDIR)   -Bstatic -lmkl
-
-#=======================
-# ATLAS Blas and LAPACK
-#=======================
-#LIBDIR = /usr/local/lib
-#LIBS = -L$(LIBDIR)  -llapack -lf77blas -lcblas -latlas
diff --git a/config/make.inc.macosx.homebrew b/config/make.inc.macosx.homebrew
deleted file mode 100644
index ab1f5ee96..000000000
--- a/config/make.inc.macosx.homebrew
+++ /dev/null
@@ -1,43 +0,0 @@
-#=================================================
-# For Mac Os X (tested on 10.12 Sierra)
-#=================================================
-## The following requires a working gfortran compiler.
-## You can use for instance HomeBrew to obtain it
-## (https://brew.sh).
-## After installation and configuration of HomeBrew,
-## install a recent version of gcc to get (also)
-## gfortran.
-## For instance:
-##  brew install gcc
-F90 = gfortran
-CC = cc
-
-
-## The next two lines are needed if you want a
-## parallel version of postw90.x. If you are OK
-## with a serial version, simply comment the next
-## two lines.
-## To get openmpi with HomeBrew, use for instance
-##  brew install openmpi
-COMMS=mpi
-MPIF90=mpifort
-
-## These two lines define mac-specific flags for
-## the dynamic library (.dylib, while on linux it's .so)
-DYNLIBRARYEXTENSION=dylib
-SHAREDLIBFLAGS=-dynamiclib
-
-## Note: we could use -framework Accelerate, but we should
-## then compile with the -ff2c option to gfortran to use
-## C-style conventions for functions returning complex values -
-## otherwise, we get sigsev... however, -ff2c is not compatible
-## with openmpi from brew!!! (at least on March 2017).
-## This is because -ff2c implies -fsecond-underscore
-## (see https://gcc.gnu.org/onlinedocs/gfortran/Code-Gen-Options.html)
-##
-## Therefore, you need first to install blas/lapack libraries from
-##  brew install homebrew/science/openblas
-## and then use the following options
-FCOPTS=-O2
-LDOPTS=-O2
-LIBS   = -L/usr/local/opt/openblas/lib -lblas -llapack
diff --git a/config/make.inc.macosx.macports b/config/make.inc.macosx.macports
deleted file mode 100644
index 10b0e18a9..000000000
--- a/config/make.inc.macosx.macports
+++ /dev/null
@@ -1,63 +0,0 @@
-#=================================================
-# For Mac Os X (tested on 10.10 Yosemite)
-#=================================================
-## The following requires a working gfortran compiler.
-## You can use for instance MacPorts to obtain it
-## (http://www.macports.org/).
-## After installation and configuration of MacPorts,
-## install a recent version of gcc to get (also)
-## gfortran.
-## For instance:
-##  sudo port install gcc5
-## Note: update version number in port and F90 below as necessary
-##
-F90 = gfortran-mp-5
-CC = cc
-
-
-## The next two lines are needed if you want a
-## parallel version of postw90.x. If you are OK
-## with a serial version, simply comment the next
-## two lines.
-## To get openmpi with MacPorts, use for instance
-##  sudo port install openmpi-default
-## Note that with MacPorts, the
-## 'mpirun' executable needed to run the code
-## is called 'mpirun-openmpirun-mp'
-## (You could also use mpich instead of openmpi.)
-##
-COMMS=mpi
-MPIF90=mpif90-openmpi-mp
-
-## These two lines define mac-specific flags for
-## the dynamic library (.dylib, while on linux it's .so)
-DYNLIBRARYEXTENSION=dylib
-SHAREDLIBFLAGS=-dynamiclib
-
-## IMPORTANT!! the -ff2c is needed if one wants to
-## use the BLAS and LAPACK libraries shipped with
-## Apple Mac OS X (using -framework Accelerate).
-## (at least on recent Mac OS X versions).
-## This is beacause some routines (as ZDOTC) in the
-## libraries provided by Apple are compiled with the
-## C interface instead of the Fortran interface.
-## Instead, remove the -ff2c flags (both from FCOPTS
-## and from LDOPTS) if you have downloaded and
-## compiled the BLAS and LAPACK libraries from netlib.org.
-##
-## IF YOU DON'T DO THE CORRECT THING, THE CODE COMPILES BUT
-## THEN EITHER CRASHES OR GIVES WRONG RESULTS!
-##
-## THUS: ALWAYS TRY AT LEAST THE PROVIDED TEST EXAMPLES
-## TO SEE IF YOUR EXECUTABLE IS PROVIDING SENSIBLE RESULTS!
-## (i.e.: run
-##  make test
-## and then compare the results)
-FCOPTS=-O2 -ff2c
-LDOPTS=-O2 -ff2c
-LIBS   =  -framework Accelerate
-
-# other options: do not use -ff2c but instead:
-# port vecLibfort (wrapper to Accelerate): LIBS = -L/opt/local/lib -lvecLibFort
-# port atlas: LIBS = -L/opt/local/lib -lsatlas
-# port openblas +lapack: LIBS = -L/opt/local/lib -lopenblas
diff --git a/config/make.inc.nag b/config/make.inc.nag
deleted file mode 100644
index c8d10afb8..000000000
--- a/config/make.inc.nag
+++ /dev/null
@@ -1,23 +0,0 @@
-#=======================
-# NAG
-#=======================
-
-F90 = nagfor
-FCOPTS = -DNAG
-
-#=======================
-# ATLAS Blas and LAPACK
-#=======================
-LIBDIR = /usr/local/lib
-LIBS = -L$(LIBDIR)  -llapack -lf77blas -lcblas -latlas
-
-#=======================
-# NETLIB LAPACK and BLAS
-#=======================
-
-#LIBDIR = /usr/local/lib
-#LIBS = -L$(LIBDIR)  -llapack -lblas
-
-
-# ACML for blas and lapack
-LIBS = -lacml
diff --git a/config/make.inc.pathscale b/config/make.inc.pathscale
deleted file mode 100644
index b979150d2..000000000
--- a/config/make.inc.pathscale
+++ /dev/null
@@ -1,8 +0,0 @@
-#Pathscale
-#=========
-F90= pathf90
-FCOPTS = -O3
-LDOPTS =
-LIBS   = -lacml
-
-# ACML libraries are freely available from http://www.amd.com
diff --git a/config/make.inc.pgf90 b/config/make.inc.pgf90
deleted file mode 100644
index fdd5953f6..000000000
--- a/config/make.inc.pgf90
+++ /dev/null
@@ -1,17 +0,0 @@
-#=====
-#pgf90
-#=====
-
-F90 = pgf90
-
-#Add next two lines for parallel postw90. Choose the correct name of the mpi f90 wrapper
-#COMMS = mpi
-#MPIF90 = mppgf90 # mpif90
-
-FCOPTS = -fast
-LDOPTS =
-
-# Debug options
-#FCOPTS  = -g -Mbounds -Mchkptr -Minform=warn -Mstandard
-#LDOPTS = -g -Mbounds -Mchkptr -Minform=warn -Mstandard
-LIBS   = -llapack -lblas
diff --git a/config/make.inc.qe b/config/make.inc.qe
deleted file mode 100644
index 73bb4cfb6..000000000
--- a/config/make.inc.qe
+++ /dev/null
@@ -1,19 +0,0 @@
-#=======================================
-# For use inside a Quantum Espresso Dist
-#=======================================
-
-# read in the QE config
-
-include ../../make.inc
-
-# rewrite to our variable names
-
-F90=$(MPIF90)
-FCOPTS=$(F90FLAGS)
-
-# here we use sed to re-write the library paths. This is only relevant
-# if we are using the Q-E internal lapack and blas. Q-E refers to them
-# as ../flib/*.a, when what we need is ../../flib*.a
-
-LIBS  = `echo $(LAPACK_LIBS) | sed -e "s/..\/flib/..\/..\/flib/g"`  \
-  `echo  $(BLAS_LIBS) | sed -e "s/..\/flib/..\/..\/flib/g"` $(MASS_LIBS)
diff --git a/config/make.inc.sun b/config/make.inc.sun
deleted file mode 100644
index fff6d0cf2..000000000
--- a/config/make.inc.sun
+++ /dev/null
@@ -1,20 +0,0 @@
-#===========================
-# Sun f90 / Solaris or linux
-#===========================
-
-# Default name of compiler if f90, but some admins rename it
-F90 = sunf90 #f90
-
-
-#Add next two lines for parallel postw90. Choose the correct name of the mpi f90 wrapper
-#COMMS  = mpi
-MPIF90 = mpsunf90 #mpif90
-
-#FCOPTS = -g -C -w2 -xlic_lib=sunperf
-#LDOPTS = -g -C -w2 -xlic_lib=sunperf
-
-FCOPTS = -fast -xO3    -xlic_lib=sunperf
-LDOPTS = -fast -xO3    -xlic_lib=sunperf
-
-# Leave blank if asking for sun performance libraries
-LIBS   =
diff --git a/config/make.inc.xlf b/config/make.inc.xlf
deleted file mode 100644
index 3bee7f9a3..000000000
--- a/config/make.inc.xlf
+++ /dev/null
@@ -1,19 +0,0 @@
-#=======================
-# IBM Power series AIX
-# PowerPc AIX / Linux
-#=======================
-#
-
-F90= xlf95_r
-FCOPTS = -qfree=f90 -qsuffix=f=f90 -qsuffix=cpp=F90 -qarch=auto  -O3
-LDOPTS = -qfree=f90 -qsuffix=f=f90 -qsuffix=cpp=F90 -qarch=auto
-LIBDIR =
-LIBS   = -L$(LIBDIR) -llapack -lessl
-
-# Notes: This will compile with the default addressing (either 64 or 32)
-#        To explicitly specify the adressing use -q64 or -q32
-#
-#        If you machine does not have a LAPACK library build the netlib LAPACK
-#        http://www.netlib.org/lapack/
-#        and (optionally) the essl wrappers
-#        http://www.netlib.org/lapack/essl/
diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
new file mode 100644
index 000000000..731105b35
--- /dev/null
+++ b/src/CMakeLists.txt
@@ -0,0 +1,62 @@
+## Source files definitions
+target_sources(Wannier90_lib PRIVATE
+		comms.F90
+		constants.F90
+		disentangle.F90
+		error.F90
+		error_base.F90
+		hamiltonian.F90
+		io.F90
+		kmesh.F90
+		overlap.F90
+		plot.F90
+		readwrite.F90
+		sitesym.F90
+		transport.F90
+		types.F90
+		utility.F90
+		wannier90_readwrite.F90
+		wannier90_types.F90
+		wannier_lib.F90
+		wannierise.F90
+		ws_distance.F90
+		)
+target_sources(Wannier90_exe PRIVATE
+		wannier_prog.F90
+		)
+
+## Linking targets
+target_link_libraries(Wannier90_exe PRIVATE
+		Wannier90_lib)
+target_link_libraries(Wannier90_lib PRIVATE
+		BLAS::BLAS LAPACK::LAPACK)
+target_include_directories(Wannier90_lib PUBLIC
+		"$<BUILD_INTERFACE:${CMAKE_Fortran_MODULE_DIRECTORY}>")
+if (WANNIER90_WITH_MPI)
+	target_link_libraries(Wannier90_lib PUBLIC MPI::MPI_Fortran)
+endif ()
+
+add_subdirectory(postw90)
+
+## Installs
+if (WANNIER90_INSTALL)
+	target_include_directories(Wannier90_lib PUBLIC
+			"$<INSTALL_INTERFACE:${CMAKE_INSTALL_MODULEDIR}>")
+	install(TARGETS Wannier90_lib
+			EXPORT Wannier90Targets
+			LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} COMPONENT Wannier90_Runtime NAMELINK_COMPONENT Wannier90_Development
+			ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR} COMPONENT Wannier90_Development
+			)
+	install(FILES ${CMAKE_Fortran_MODULE_DIRECTORY}/w90_helper_types.mod
+			DESTINATION ${CMAKE_INSTALL_MODULEDIR}
+			COMPONENT Wannier90_Development
+	)
+	install(TARGETS Wannier90_exe
+			EXPORT Wannier90Targets
+			RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR} COMPONENT Wannier90_Runtime
+			)
+	install(TARGETS Wannier90_post
+			EXPORT Wannier90Targets
+			RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR} COMPONENT Wannier90_Runtime
+			)
+endif ()
diff --git a/src/Makefile b/src/Makefile
deleted file mode 100644
index 76ce58b7d..000000000
--- a/src/Makefile
+++ /dev/null
@@ -1,3 +0,0 @@
-ROOTDIR=..
-
-include ../Makefile
diff --git a/src/Makefile.2 b/src/Makefile.2
deleted file mode 100644
index 4e5fb1234..000000000
--- a/src/Makefile.2
+++ /dev/null
@@ -1,200 +0,0 @@
-# -*- MakeFile -*- 
-#  Should be no need to change below this line
-#
-
-include ../../make.inc
-
-# Contains definition of OBJS, OBJS_POST, LIBRARY, DYNLIBRARY
-include ../Makefile.header
-
-POSTDIR = ../postw90/
-
-ifdef COMMS
-COMMS := $(strip $(COMMS))
-else
-COMMS = serial
-endif
-
-ifeq ($(COMMS),mpi08)
-TEMP1 = -DMPI -DMPI08
-TEMP2 = $(MPIF90)
-else ifeq ($(COMMS),mpih)
-TEMP1 = -DMPI -DMPIH
-TEMP2 = $(MPIF90)
-else ifeq ($(COMMS),mpi90)
-TEMP1 = -DMPI -DMPI90
-TEMP2 = $(MPIF90)
-else ifeq ($(COMMS),mpi)
-# default to f90 style "use mpi"
-TEMP1 = -DMPI -DMPI90
-TEMP2 = $(MPIF90)
-else
-TEMP1 =
-TEMP2 = $(F90)
-endif
-
-
-wannier libs dynlibs w90chk2chk w90spn2spn: POSTOPTS = $(TEMP1)
-wannier libs dynlibs w90chk2chk w90spn2spn: COMPILER = $(TEMP2)
-wannier: ../../wannier90.x 
-w90chk2chk: ../../w90chk2chk.x
-w90spn2spn: ../../w90spn2spn.x
-
-../../w90chk2chk.x: $(OBJS) ../w90chk2chk.F90
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) ../w90chk2chk.F90 $(LDOPTS) $(OBJS) $(LIBS) -o ../../w90chk2chk.x
-
-../../w90spn2spn.x: $(OBJS) ../w90spn2spn.F90
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) ../w90spn2spn.F90 $(LDOPTS) $(OBJS) $(LIBS) -o ../../w90spn2spn.x
-
-../../wannier90.x: $(LIBRARYV2) ../wannier_prog.F90
-	$(COMPILER) $(POSTOPTS) $(FCOPTS)  ../wannier_prog.F90 $(LDOPTS) $(LIBRARYV2) $(LIBS) -o ../../wannier90.x
-
-$(LIBRARYV2): $(OBJS)
-	$(AR) $(ARFLAGS) $(LIBRARYV2) $(OBJS)
-        
-post: POSTOPTS = $(TEMP1)
-post: COMPILER = $(TEMP2)
-post: mpi_test ../../postw90.x
-
-../../postw90.x: $(OBJS_POST) $(POSTDIR)postw90.F90
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) $(POSTDIR)postw90.F90 $(LDOPTS) $(OBJS_POST) $(LIBS) -o ../../postw90.x
-
-mpi_test :
-ifeq ($(COMMS),mpi)
-
-ifndef MPIF90
-
-	$(info  ) \
-	$(info ********************* STOP **********************) \
-	$(info *  COMMS=mpi but MPIF90 is not set in make.inc  *) \
-	$(info *  Set MPIF90 to your parallel fortran compiler *) \
-	$(info *  On many systems MPIF90=mpif90 will work      *) \
-	$(info ********************* STOP **********************) \
-	$(info  ) \
-	$(error MPIF90 is not set) 
-
-endif
-
-endif 
-
-
-
-libs: $(LIBRARY) $(LIBRARYV2)
-
-dynlibs: $(DYNLIBRARY)
-
-$(LIBRARY): $(OBJS) $(OBJS_LIBV1)
-	$(AR) $(ARFLAGS) $(LIBRARY) $(OBJS) $(OBJS_LIBV1)
-
-$(DYNLIBRARY): $(OBJS) $(OBJS) $(OBJS_LIBV1)
-	echo $(COMPILER)
-	$(COMPILER) $(SHAREDLIBFLAGS) $(POSTOPTS) $(LDOPTS) $(OBJS) $(OBJS_LIBV1) $(LIBS) -o $@
-
-clean:
-	rm -f *.o *.mod *.MOD *.obj
-
-constants.o: ../constants.F90
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../constants.F90
-
-io.o: ../io.F90 types.o constants.o error.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../io.F90
-
-utility.o: ../utility.F90 constants.o io.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../utility.F90
-
-wannier90_types.o: ../wannier90_types.F90 constants.o io.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../wannier90_types.F90
-
-wannier90_readwrite.o: ../wannier90_readwrite.F90 constants.o io.o types.o wannier90_types.o readwrite.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../wannier90_readwrite.F90
-
-readwrite.o: ../readwrite.F90 types.o constants.o io.o utility.o comms.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../readwrite.F90
-
-types.o: ../types.F90 constants.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../types.F90
-
-hamiltonian.o: ../hamiltonian.F90 ws_distance.o constants.o io.o utility.o types.o wannier90_types.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../hamiltonian.F90
-
-overlap.o: ../overlap.F90 constants.o io.o utility.o types.o sitesym.o wannier90_types.o comms.o error.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../overlap.F90
-
-kmesh.o: ../kmesh.F90 constants.o io.o utility.o types.o 
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../kmesh.F90
-
-error_base.o: ../error_base.F90
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../error_base.F90
-
-error.o: ../error.F90 error_base.o comms.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../error.F90
-
-disentangle.o: ../disentangle.F90 constants.o io.o types.o sitesym.o comms.o wannier90_types.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../disentangle.F90
-
-wannierise.o: ../wannierise.F90 hamiltonian.o constants.o io.o utility.o types.o sitesym.o comms.o wannier90_types.o wannier90_readwrite.o error.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../wannierise.F90
-
-plot.o: ../plot.F90 constants.o io.o utility.o types.o hamiltonian.o ws_distance.o wannier90_types.o comms.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../plot.F90
-
-ws_distance.o: ../ws_distance.F90 constants.o io.o types.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../ws_distance.F90
-
-transport.o: ../transport.F90 constants.o io.o types.o hamiltonian.o wannier90_types.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../transport.F90
-
-sitesym.o : ../sitesym.F90 utility.o types.o constants.o wannier90_types.o
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../sitesym.F90
-
-comms.o: ../comms.F90 constants.o error_base.o ../../make.inc
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../comms.F90
-
-boltzwann.o: $(POSTDIR)boltzwann.F90 constants.o types.o io.o utility.o postw90_common.o get_oper.o wan_ham.o comms.o spin.o dos.o postw90_types.o ws_distance.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)boltzwann.F90
-
-geninterp.o: $(POSTDIR)geninterp.F90 constants.o types.o io.o get_oper.o postw90_common.o comms.o utility.o wan_ham.o postw90_types.o ws_distance.o
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)geninterp.F90
-
-get_oper.o: $(POSTDIR)get_oper.F90 types.o constants.o comms.o postw90_common.o io.o utility.o postw90_types.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)get_oper.F90
-
-spin.o: $(POSTDIR)spin.F90 comms.o types.o constants.o utility.o postw90_common.o get_oper.o io.o wan_ham.o postw90_types.o ws_distance.o
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)spin.F90
-
-dos.o: $(POSTDIR)dos.F90 comms.o types.o postw90_types.o constants.o utility.o io.o wan_ham.o postw90_common.o get_oper.o spin.o ws_distance.o
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)dos.F90
-
-kpath.o: $(POSTDIR)kpath.F90 comms.o types.o constants.o io.o spin.o berry.o postw90_types.o ws_distance.o
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)kpath.F90
-
-kslice.o: $(POSTDIR)kslice.F90 comms.o types.o constants.o io.o spin.o berry.o postw90_types.o ws_distance.o
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)kslice.F90
-
-berry.o: $(POSTDIR)berry.F90 comms.o types.o constants.o utility.o postw90_common.o get_oper.o io.o spin.o wan_ham.o postw90_types.o ws_distance.o
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)berry.F90
-
-gyrotropic.o: $(POSTDIR)gyrotropic.F90 comms.o types.o constants.o utility.o postw90_common.o get_oper.o io.o spin.o wan_ham.o berry.o postw90_types.o ws_distance.o
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)gyrotropic.F90
-
-wan_ham.o: $(POSTDIR)wan_ham.F90 types.o postw90_types.o constants.o utility.o postw90_common.o get_oper.o ws_distance.o
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)wan_ham.F90
-
-postw90_common.o: $(POSTDIR)postw90_common.F90 postw90_types.o ws_distance.o comms.o types.o utility.o constants.o io.o
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)postw90_common.F90
-
-postw90_types.o: $(POSTDIR)postw90_types.F90 comms.o types.o utility.o constants.o io.o 
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)postw90_types.F90
-
-postw90_readwrite.o: $(POSTDIR)postw90_readwrite.F90 comms.o postw90_types.o types.o utility.o constants.o io.o error.o
-	$(COMPILER) $(POSTOPTS) $(FCOPTS) -c $(POSTDIR)postw90_readwrite.F90
-
-wannier_lib.o: ./constants.o ./io.o ./utility.o ./types.o \
-	./hamiltonian.o ./kmesh.o ./overlap.o ./disentangle.o \
-	./wannierise.o ./plot.o ./transport.o ./wannier90_types.o \
-	./wannier90_readwrite.o ../wannier_lib.F90
-	 $(COMPILER) $(POSTOPTS) $(FCOPTS) -c ../wannier_lib.F90
-
-
-.PHONY: wannier libs post clean mpi_test w90spn2spn
-
diff --git a/src/Makefile.header b/src/Makefile.header
deleted file mode 100644
index aa81469f8..000000000
--- a/src/Makefile.header
+++ /dev/null
@@ -1,26 +0,0 @@
-OBJS  =  constants.o io.o utility.o types.o hamiltonian.o overlap.o kmesh.o disentangle.o \
-        ws_distance.o wannierise.o plot.o transport.o sitesym.o comms.o wannier90_types.o \
-        wannier90_readwrite.o readwrite.o error.o error_base.o
-
-OBJS_LIBV1 = wannier_lib.o
-
-OBJS_POST  = ws_distance.o types.o kmesh.o io.o comms.o utility.o get_oper.o constants.o \
-        postw90_common.o wan_ham.o spin.o dos.o berry.o gyrotropic.o kpath.o kslice.o \
-        boltzwann.o geninterp.o postw90_types.o postw90_readwrite.o readwrite.o \
-	error.o error_base.o
-
-LIBRARY = ../../libwannier.a
-LIBRARYV2 = ../../libwan2.a
-
-## Dynamic library section
-## Define some defaults (good for linux) if none is defined in the make.inc
-## Different flags are needed depending on the compiler and on the OS
-## (e.g. on Mac, it's -dynamiclib and the extension if .dylib - even if
-## calling it .so and using -shared often works equally well)
-## NOTE: if you want to compile the dynamic library, you have to compile
-## everything with -fPIC usually, on 64bit systems
-DYNLIBRARYEXTENSION ?= so
-SHAREDLIBFLAGS ?= '-shared'
-
-## Define the filename
-DYNLIBRARY = ../../libwannier.$(DYNLIBRARYEXTENSION)
diff --git a/src/postw90/CMakeLists.txt b/src/postw90/CMakeLists.txt
new file mode 100644
index 000000000..c2cf87633
--- /dev/null
+++ b/src/postw90/CMakeLists.txt
@@ -0,0 +1,22 @@
+target_sources(Wannier90_post PRIVATE
+		berry.F90
+		boltzwann.F90
+		dos.F90
+		geninterp.F90
+		get_oper.F90
+		gyrotropic.F90
+		kpath.F90
+		kslice.F90
+		postw90.F90
+		postw90_common.F90
+		postw90_readwrite.F90
+		postw90_types.F90
+		spin.F90
+		wan_ham.F90
+		)
+# TODO: Not buildable yet
+#target_sources(Wannier90_lib PRIVATE
+#		pw90_library.F90
+#		)
+target_link_libraries(Wannier90_post PRIVATE
+		Wannier90_lib BLAS::BLAS LAPACK::LAPACK)
diff --git a/src/version b/src/version
new file mode 100644
index 000000000..22b67f8b2
--- /dev/null
+++ b/src/version
@@ -0,0 +1,4 @@
+# this version information could be better stored elsewhere
+WANNIER90_MAJOR_VERSION 4
+WANNIER90_MINOR_VERSION 0
+WANNIER90_MICRO_VERSION 0
diff --git a/src/w90chk2chk.F90 b/src/w90chk2chk.F90
index 753aa5a55..f8c8accd1 100644
--- a/src/w90chk2chk.F90
+++ b/src/w90chk2chk.F90
@@ -72,26 +72,14 @@ module w90chk_parameters
 end module w90chk_parameters
 
 module wannchk_data
-
   use w90_constants, only: dp
-  use w90_wannier90_types
 
   implicit none
 
   public
-
-  type(w90_calculation_type), save :: w90_calcs
-  !type(plot_type), save :: plot
-  !type(disentangle_type), save :: dis_data
-  ! RS: symmetry-adapted Wannier functions
+  logical, save :: eig_found
   logical, save :: lsitesymmetry = .false.
   real(kind=dp), save :: symmetrize_eps = 1.d-3
-  type(fermi_surface_plot_type), save :: fermi_surface_data
-  type(transport_type), save :: tran
-  type(select_projection_type), save :: select_proj
-
-  logical, save :: eig_found
-
   ! a_matrix, m_matrix in disentangle and overlap
   complex(kind=dp), allocatable, save :: a_matrix(:, :, :)
   complex(kind=dp), allocatable, save :: m_matrix_orig(:, :, :, :)
@@ -100,9 +88,7 @@ module wannchk_data
   complex(kind=dp), allocatable, save :: m_matrix(:, :, :, :)
   ! in disentangle and overlap
   complex(kind=dp), allocatable, save :: m_matrix_local(:, :, :, :)
-
   real(kind=dp), save :: omega_invariant
-
 end module wannchk_data
 
 module w90_conv
diff --git a/src/wannier_lib.F90 b/src/wannier_lib.F90
index eb5d92900..c9d3e8eab 100644
--- a/src/wannier_lib.F90
+++ b/src/wannier_lib.F90
@@ -199,25 +199,14 @@ subroutine wannier_setup(seed__name, mp_grid_loc, num_kpts_loc, real_lattice_loc
   use w90_wannier90_libv1_types
   use w90_error, only: w90_error_type
 
-#ifdef MPI
-#  if !(defined(MPI08) || defined(MPI90) || defined(MPIH))
-#    error "You need to define which MPI interface you are using"
-#  endif
-#endif
-
-#ifdef MPI08
+#ifdef MPI_Fortran_HAVE_F08_MODULE
   use mpi_f08 ! use f08 interface if possible
 #endif
-#ifdef MPI90
+#ifdef MPI_Fortran_HAVE_F90_MODULE
   use mpi ! next best, use fortran90 interface
 #endif
 
   implicit none
-
-#ifdef MPIH
-  include 'mpif.h' ! worst case, use legacy interface
-#endif
-
   type(w90_physical_constants_type) :: physics
   character(len=*), intent(in) :: seed__name
   integer, dimension(3), intent(in) :: mp_grid_loc
@@ -443,25 +432,15 @@ subroutine wannier_run(seed__name, mp_grid_loc, num_kpts_loc, real_lattice_loc,
   use w90_readwrite, only: w90_readwrite_lib_set_atoms
   use w90_error
 
-#ifdef MPI
-#  if !(defined(MPI08) || defined(MPI90) || defined(MPIH))
-#    error "You need to define which MPI interface you are using"
-#  endif
-#endif
-
-#ifdef MPI08
+#ifdef MPI_Fortran_HAVE_F08_MODULE
   use mpi_f08 ! use f08 interface if possible
 #endif
-#ifdef MPI90
+#ifdef MPI_Fortran_HAVE_F90_MODULE
   use mpi ! next best, use fortran90 interface
 #endif
 
   implicit none
 
-#ifdef MPIH
-  include 'mpif.h' ! worst case, use legacy interface
-#endif
-
   type(w90_physical_constants_type) :: physics
   character(len=*), intent(in) :: seed__name
   integer, dimension(3), intent(in) :: mp_grid_loc
diff --git a/test-suite/CMakeLists.txt b/test-suite/CMakeLists.txt
new file mode 100644
index 000000000..495075fc2
--- /dev/null
+++ b/test-suite/CMakeLists.txt
@@ -0,0 +1,107 @@
+find_package(Python3 REQUIRED)
+
+set(test_names
+		testpostw90_boltzwann
+		testpostw90_example04_dos
+		testpostw90_example04_pdos
+		testpostw90_fe_ahc
+		testpostw90_fe_ahc_adaptandfermi
+		testpostw90_fe_dos_spin
+		testpostw90_fe_kpathcurv
+		testpostw90_fe_kpathmorbcurv
+		testpostw90_fe_kpathmorbcurv_ws
+		testpostw90_fe_kslicecurv
+		testpostw90_fe_kslicemorb
+		testpostw90_fe_kubo_Axy
+		testpostw90_fe_kubo_Szz
+		testpostw90_fe_kubo_jdos
+		testpostw90_fe_morb
+		testpostw90_fe_morbandahc
+		testpostw90_fe_spin
+		testpostw90_gaas_kdotp
+		testpostw90_gaas_sc_eta_corr
+		testpostw90_gaas_sc_xyz
+		testpostw90_gaas_sc_xyz_scphase2
+		testpostw90_gaas_sc_xyz_scphase2_ws
+		testpostw90_gaas_sc_xyz_ws
+		testpostw90_gaas_shc
+		testpostw90_pt_kpathbandsshc
+		testpostw90_pt_kpathshc
+		testpostw90_pt_ksliceshc
+		testpostw90_pt_shc
+		testpostw90_pt_shc_ryoo
+		testpostw90_si_geninterp
+		testpostw90_si_geninterp_wsdistance
+		testpostw90_te_gyrotropic
+		testpostw90_te_gyrotropic_C
+		testpostw90_te_gyrotropic_D0
+		testpostw90_te_gyrotropic_Dw
+		testpostw90_te_gyrotropic_K
+		testpostw90_te_gyrotropic_NOA
+		testpostw90_te_gyrotropic_dos
+		testw90_basic1
+		testw90_basic2
+		testw90_benzene_gamma_val
+		testw90_benzene_gamma_val_hexcell
+		testw90_benzene_gamma_valcond
+		testw90_bvec
+		testw90_cube_format
+		testw90_disentanglement_sawfs
+		testw90_example01
+		testw90_example02
+		testw90_example02_restart
+		testw90_example03
+		testw90_example03_labelinfo
+		testw90_example03_optmem
+		testw90_example04
+		testw90_example05
+		testw90_example07
+		testw90_example11_1
+		testw90_example11_2
+		testw90_example21_As_sp
+		testw90_example26
+		testw90_gaas_disentanglement_issue192
+		testw90_lavo3_dissphere
+		testw90_na_chain_gamma
+		testw90_nnkpt1
+		testw90_nnkpt2
+		testw90_nnkpt3
+		testw90_nnkpt4
+		testw90_nnkpt5
+		testw90_precond_1
+		testw90_precond_2
+		testw90_write_u_matrices
+)
+if (WANNIER90_WITH_MPI)
+	list(APPEND test_names
+			partestw90_mpierr
+	)
+endif ()
+set(extra_files
+		checkpoints
+		run_tests
+		testcode
+		tests
+		tools
+)
+
+## Prepare test environment
+foreach (extra IN LISTS extra_files)
+	file(COPY ${extra} DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
+endforeach ()
+target_link_libraries(w90chk2chk.x PRIVATE Wannier90_lib)
+target_sources(w90chk2chk.x PRIVATE
+		${PROJECT_SOURCE_DIR}/src/w90chk2chk.F90
+)
+target_link_libraries(w90spn2spn.x PRIVATE Wannier90_lib)
+target_sources(w90spn2spn.x PRIVATE
+		${PROJECT_SOURCE_DIR}/src/w90spn2spn.F90
+)
+
+## Define tests
+foreach (test IN LISTS test_names)
+	add_test(NAME ${test}
+			COMMAND ${Python3_EXECUTABLE} ${CMAKE_CURRENT_BINARY_DIR}/run_tests -c ${test}
+			WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
+	)
+endforeach ()