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IMP Manual  for IMP version 2.15.0
installation.md
1 Installation {#installation}
2 ============
3 
4 [TOC]
5 
6 # Binary installation {#installation_binary}
7 
8 Binary installation is strongly recommended for new users of %IMP. It is
9 much faster than building from source code, requires a smaller download,
10 and all the necessary prerequisites are handled for you automatically.
11 
12 We recommend you use a stable release. These are available for
13 Windows, Mac and Linux from our [download page](https://integrativemodeling.org/download.html#stable).
14 
15 Binaries are [also available for our latest nightly builds](https://integrativemodeling.org/download.html#develop). If you do decide to use a nightly build,
16 please check out the [nightly builds results page](https://integrativemodeling.org/nightly/results/)
17 to see if the code is currently stable enough for your purposes.
18 
19 # Source code installation {#installation_source}
20 
21 ## Prerequisites {#installation_prereqs}
22 
23 In order to build %IMP from source, you will need:
24 
25 - [CMake](https://cmake.org) (2.8.12 or later; 3.14 or later is recommended)
26 - [Boost](https://www.boost.org) (1.53 or later; Boost.Iostreams must be built
27  with its [zlib filter enabled](https://www.boost.org/doc/libs/1_67_0/libs/iostreams/doc/installation.html))
28 - [Eigen](https://eigen.tuxfamily.org/) (3.0 or later)
29 - [HDF5](https://support.hdfgroup.org/HDF5/) (1.8 or later; 1.10 or 1.12
30  should also work)
31 - [Python](https://www.python.org) (2.7 or later, or any version of Python 3)
32 - [SWIG](http://www.swig.org) (1.3.40 or later; 2.0.4 or later is needed
33  if you want to use Python 3)
34 
35 The following prerequisites are _optional_; without them some parts of %IMP
36 will not build, and some will not function optimally.
37 
38 - [Doxygen](http://www.doxygen.org/) (only exactly version 1.8.6 is supported)
39  and [Graphviz](http://www.graphviz.org/): required for building
40  documentation.
41 - [Modeller](\ref modeller): needed to use the IMP.modeller module.
42 - [CGAL](\ref CGAL): enables faster geometric operations, such as
43  nonbonded lists.
44 - [Google perf tools](\ref perf): needed only for profiling %IMP code.
45 - [ANN](\ref ANN): certain data structures will be faster if it is available.
46 - [GSL](\ref GSL) (1.13 or later): needed to use the IMP.gsl module.
47 - [OpenCV](\ref OpenCV) (2.1 or later): needed to use the IMP.em2d module or the
48  [idock](@ref idock_pcsk9) and [emagefit](@ref emagefit_3sfd) command
49  line tools.
50 - [FFTW](http://www.fftw.org): needed to use the IMP.em2d or IMP.multifit
51  modules or the [multifit](@ref multifit_3sfd) command line tool.
52 - [libTAU](https://integrativemodeling.org/libTAU.html): needed to use the
53  IMP.cnmultifit module or the [cnmultifit](@ref cnmultifit_groel) command
54  line tool.
55 - [Protobuf](https://github.com/google/protobuf): needed to use the
56  IMP.npctransport module.
57 - An [MPI](@ref IMP::mpi) library is needed to use the IMP.mpi module.
58 - The [numpy, scipy](http://www.scipy.org/scipylib/download.html),
59  [scikit-learn](http://scikit-learn.org/stable/install.html),
60  and [matplotlib](http://matplotlib.org/downloads.html)
61  Python libraries are also recommended.
62 - [Chimera](https://www.cgl.ucsf.edu/chimera/download.html) or
63  [ChimeraX](https://www.rbvi.ucsf.edu/chimerax/) are recommended
64  for visualization of results.
65 
66 The following prerequisites are _bundled_, i.e. they are included with %IMP
67 itself and will be built at the same time as %IMP, unless explicitly
68 requested otherwise (see [CMake](@ref cmake_config) for more information):
69 
70 - [RMF](https://integrativemodeling.org/rmf/) (1.3 or later) for handling
71  RMF files, and the IMP.rmf module.
72 - [python-ihm](https://github.com/ihmwg/python-ihm) for handling mmCIF and
73  BinaryCIF files.
74 
75 ### Getting prerequisites on Linux {#installation_prereqs_linux}
76 All of the prerequisites should be available as pre-built packages for
77 your Linux distribution of choice. For example, on a Fedora system the
78 following should install most of the prerequisites:
79 
80  sudo dnf install boost-devel gperftools-devel CGAL-devel graphviz gsl-devel cmake hdf5-devel swig fftw-devel opencv-devel
81 
82 ### Getting prerequisites on a Mac {#installation_prereqs_mac}
83 
84 Mac users must first install the developer Command Line Tools, which can be
85 done from the command line by running
86 
87  sudo xcode-select --install
88 
89 These can also be obtained by installing Xcode from the App store, then trying
90 to run a command line tool (such as `clang`) which will prompt to install the
91 tools.
92 
93 Then Mac users should use one of the available collections of Unix tools,
94 such as
95 - [Homebrew](https://brew.sh) (_recommended_) Once you installed `homebrew`
96  do
97 
98  brew tap salilab/salilab
99  brew install boost gmp google-perftools cgal graphviz gsl cmake hdf5 swig fftw mpfr opencv libtau eigen
100 
101  to install everything %IMP finds useful (or that you will want for installing various useful Python libs that %IMP finds useful). On older Macs, you may also need to `brew install git` if you want to use git (newer Macs include git).
102 - [Macports](https://www.macports.org/) If you use MacPorts, you must verify `/opt/local/bin` is in your path (this may be taken care of by MacPorts automatically, and can be done manually either by modifying your shell's config file or by making an `environment.plist` file), and then do
103 
104  sudo port install boost cgal cmake fftw gmp gperftools graphviz gsl eigen hdf5 mpfr ninja opencv protobuf-cpp swig swig-python
105  (as in brew, some of these packages may be optional)
106 
107 - or [Fink](http://www.finkproject.org/) (not supported)
108 
109 ### Getting prerequisites on Windows {#installation_prereqs_windows}
110 
111 We recommend Linux or Mac for developing with %IMP, as obtaining the
112 prerequisites on Windows is much more involved. However, if you really want
113 to build on Windows, see the
114 [building from source code on Windows](@ref install_windows) page for the
115 procedure we use.
116 
117 
118 ## Download {#installation_download}
119 
120 - Download the source code tarball from [our download page](https://integrativemodeling.org/download.html#source), then extract it with something like:
121 
122  tar -xvzf ../imp-<version>.tar.gz
123 
124 - Alternatively you can use [git](https://git-scm.com/) to get the code
125  directly from our [GitHub repository](https://github.com/salilab/imp)
126  with something like:
127 
128  git clone -b main https://github.com/salilab/imp.git
129  (cd imp && git submodule update --init && ./setup_git.py)
130 
131  (the `main` branch tracks the most recent stable
132  release; alternatively you can use `develop` to get the most recent code,
133  but please check out the [nightly builds results page](https://integrativemodeling.org/nightly/results/)
134  to see if the code is currently stable enough for your purposes).
135 
136 ## Compilation {#installation_compilation}
137 
138 Make a separate directory to keep the compiled version of %IMP in (it's tidier
139 to keep this separate from the source code, and if you need to later you can
140 just delete this directory without affecting the source). Set up the build
141 with [CMake](@ref cmake_config), then finally compile it, with something
142 like:
143 
144  mkdir imp_release
145  cd imp_release
146  cmake <path to IMP source>
147  make -j8
148 
149 There are a number of ways in which %IMP can be configured.
150 See [the configuration options page](@ref cmake_config) for more details
151 and for help with CMake problems.
152 
153 ## Testing {#installation_testing}
154 Once the compilation is complete, you can optionally run the test suite.
155 Test are run using `ctest`. A good start is to run `ctest --output-on-failure`.
156 
157 Tests are labeled with the module name and the type and cost of the test, so to run just the expensive tests in the `atom` module, use `ctest -L "^IMP\.atom\-test\-.*EXPENSIVE"`.
158 
159 Benchmarks are simply tests labeled as `benchmark`; examples are tests labeled as `example`.
160 
161 Note that some test failures are to be expected; compare the failures with
162 those at our own [nightly builds page](https://integrativemodeling.org/nightly/results/)
163 if you are concerned.
164 
165 ## Installation {#installation_install}
166 
167 Once everything is compiled (and optionally tested) you can install %IMP
168 by simply running `make install`. If you opted to install in a non-standard
169 location, it is up to you to set up your environment variables so that %IMP
170 can be found (you may need to set `PATH`, `PYTHONPATH`, and `LD_LIBRARY_PATH`).
171 
172 Alternatively, you can run %IMP directly from the build directory by using
173 the `setup_environment.sh` script. This sets the necessary environment
174 variables and then runs the rest of the command line with this modified
175 environment. For example, to run the `ligand_score` command line tool you
176 can either run
177 
178  ./setup_environment.sh ligand_score <arguments>
179 
180 or create a new shell with
181 
182  ./setup_environment.sh $SHELL
183 
184 and then run
185 
186  ligand_score <arguments>
187 
188 in that shell.