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INSTALL.md

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CASM C++ library and ccasm CLI program

For Developers

We recommend developing in the CASM conda development environment. This can be created from the CASMcode directory by doing:

# Location of existing conda installation, or location to newly install conda
export CASM_CONDA_DIR=${_CONDA_ROOT:-"$HOME/.local/conda"}

# Conda environment name
export CASM_ENV_NAME="casm"

# Set location  for CASM test projects to be downloaded from Materials Commons
#  - This is optional, but required for some tests to run
#  - Contact the CASM developers for access and the project ID. You will need
#    to create an account on Materials Commons before we can give you access.
# export CASM_TEST_PROJECTS_DIR="$HOME/.local/CASM_test_projects"
# export CASM_TEST_PROJECTS_ID="<... id here ...>"
# export MC_API_KEY="<... your API key ...>"

bash build_scripts/conda-devel.sh

This will download and install conda if it doesn't currently exist, and create a conda environment with the boost libraries required for CASM installed. On OSX, it will use the system-installed clang compiler, while on linux it will install and use GCC.

Dependencies

C++11

CASM must be compiled with a compiler that supports the C++11 standard. Testing is done with gcc-7 and Xcode-9.4.

Note: On Mac OS X it is necessary to have the Xcode command line tools installed. To install, run xcode-select --install from the Terminal.

Boost

The CASM conda development environment includes the subset of the boost library currently used by CASM. Contact the CASM developers if a new feature requires additional boost libraries.

Important: Boost should be compiled using the same compiler that you will use to compile CASM.

Included with CASM

CASM is distributed with the following dependencies:

Build CASM from source

With the CASM conda development environment activated, from the "CASMcode" directory, do:

bash build.sh

Behind the scenes, this will:

  1. Run a Python script make_Makemodule.py that updates the autoconf and automake files to reflect any new files added to the CASM include, src, and tests directories (assuming they follow standard naming conventions). See documentation in the script for details.
  2. Run autoreconf to generate the configure script and execute it.
  3. Execute make.

On subsequent runs, steps (1) and (2) will be skipped if configure exists. To take into account the addition or deletion or files, or to re-configure, do: rm configure and re-run.

Options:

  • Set CASM_NCPU=4 to set the -j option and compile in parallel
  • Set CASM_CXXFLAGS for compiler options. The default is:
    • -O3 -Wall -fPIC --std=c++11 -DNDEBUG -Wno-deprecated-register -Wno-ignored-attributes -Wno-deprecated-declarations
  • See other options in:
    • For OSX: build_scripts/travis-variables-osx
    • For Linux: build_scripts/travis-variables-linux

To clean up build products:

make clean
bash clean.sh

Run all tests:

bash build_test.sh

Behind the scenes, this will:

  1. Do everything that build.sh does (build the c++ libraries and programs).
  2. Execute make check to run c++ tests
  3. Run Python tests

Options (beyond those for build.sh):

  • Set CASM_SKIP_CPP_TESTS to non-zero length to skip c++ tests.
  • Do unset CASM_SKIP_CPP_TESTS to re-enable c++ tests.
  • Set CASM_SKIP_PYTHON_TESTS to non-zero length to skip Python tests.
  • Do unset CASM_SKIP_PYTHON_TESTS to re-enable Python tests.

See also tests/README.md for information on writing C++ tests and running select tests. See also python/casm/README.md for information on Python tests.

To clean up test products:

bash checkclean.sh

Install from source:

bash build_install.sh

Uninstall from source:

bash uninstall.sh