Installation overview¶
Periodically, the most recent cctbx source code including all its dependencies is automatically exported from the source code repositories (git) and bundled into compressed binary installers that are published at:
This web page provides compressed binary distributions for a
variety of platforms. It is most convenient to use these binary bundles
if possible. Installation is very simple and fast. After uncompressing the
bundle, run the install --prefix=<installation location> command to
install on macOS and Linux. On Windows, uncompressing the zip file will provide
a working copy of cctbx. There is not installation script.
Manually building from sources under Linux and macOS¶
Please note: The following instructions are for developers!
Building from sources requires Python 2.7, 3.6 or newer and a C++ compiler. If you like to use the most recent Python, it can be installed in the following way:
tar -xf Python-2.7.13.tar.xz
cd Python-2.7.13
./configure --prefix=/your/choice
make
make install
It may be convenient (but is not required) to add the directory
/your/choice/bin to the command-line search PATH, e.g. using
csh:
set path=(/your/choice/bin $path)
Recent cctbx sources are available from the cctbx GitHub repository. To download the repository and build cctbx, use bootstrap.py:
mkdir <installation directory>
cd <installation directory>
wget https://raw.githubusercontent.com/cctbx/cctbx_project/master/libtbx/auto_build/bootstrap.py
python ./bootstrap.py
On macOS, since wget is not available by default, use curl instead:
curl https://raw.githubusercontent.com/cctbx/cctbx_project/master/libtbx/auto_build/bootstrap.py > bootstrap.py
After some time, this creates the subdirectories base, base_tmp,
build, and modules. The base directory contains dependencies for
cctbx, base_tmp is a temporary directory for compiling dependencies (can be
deleted), build contains the compiled cctbx code, and modules contains
the source code for cctbx. To keep bootstrap.py in your
<installation directory> up-to-date with the version in modules, you
can create a symbolic link to that version:
cd <installation directory>
rm bootstrap.py
ln -s ./modules/cctbx_project/libtbx/auto_build/bootstrap.py
Within the build directory, cctbx creates a
file setpaths.csh (among others). This file must be used to
initialize a new shell or process with the cctbx settings:
source setpaths.csh
There is also a setpaths.sh for bash users.
To update your cctbx installation to the latest version, you can just run:
python ./bootstrap.py
again in the <installation directory>. This will update the source code in
the modules directory and recompile the changes (if necessary) in
build. Occasionally, dependencies in base are updated. When this
happens, just delete the base and base_tmp directories and rerun
the bootstrap.py command.
To compile any local changes to the source code, enter the build directory
and run:
make
This will actually run the libtbx.scons command using all
available CPUs. You can also manually specify the number of CPUs to
use, for example:
libtbx.scons -j 4
Note that libtbx.scons is just a thin wrapper around SCons. The
SCons documentation applies without modification.
To run scripts with cctbx imports use the command:
libtbx.python your_script.py
(You can also use scitbx.python, cctbx.python, iotbx.python, etc.;
all these commands are equivalent.)
For example, to run some regression tests after the compilation is finished enter:
source build/setpaths_all.csh
libtbx.python $SCITBX_DIST/run_tests.py
libtbx.python $CCTBX_DIST/run_tests.py --Quick
The output should show many OK. A Python Traceback is an indicator for problems.
Manually building from sources under Windows 2000 or higher¶
The cctbx installation requires Visual C++ 8.0 (Visual Studio .NET 2005) or higher.
To install Python under Windows it is best to use a binary installer from the Python download page. The default choices presented by the installation wizard are usually fine.
Recent self-contained cctbx sources are available in the self-extracting file cctbx_bundle.exe published at the cctbx build page. To unpack this file in a new, empty directory enter:
cctbx_bundle.exe
This creates a subdirectory cctbx_sources. The installation
procedure should be executed in another directory, e.g.:
mkdir cctbx_build
cd cctbx_build
C:\python27\python.exe ..\cctbx_sources\libtbx\configure.py mmtbx
The last command initializes the cctbx_build directory and creates
a file setpaths.bat (among others). This file must be used to
initialize a new shell or process with the cctbx settings:
setpaths.bat
To compile enter:
libtbx.scons
On a machine with multiple CPUs enter:
libtbx.scons -j N
where N is the number of CPUs available.
Note that libtbx.scons is just a thin wrapper around SCons. The
SCons documentation applies without modification.
To run scripts with cctbx imports use the command:
libtbx.python your_script.py
(You can also use scitbx.python, cctbx.python, iotbx.python, etc.;
all these commands are equivalent.)
For example, to run some regression tests after the compilation is finished enter:
setpaths_all.bat
libtbx.python %SCITBX_DIST%\run_tests.py
libtbx.python %CCTBX_DIST%\run_tests.py --Quick
The output should show many OK. A Python Traceback is an indicator for problems.