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Installation Instructions for nmr_wash

Version 1.0.0, November 2013

General Instructions

If the distribution you downloaded included precompiled binaries, these will be found in the bin subdirectory.

If you did not receive precompiled binaries, you can compile the software on your own system by typing the following command in the distribution directory:


This should build all of the required libraries and then the software, placing the binaries in the main distribution directory.

Installing Files

To install the program files, type either:

make install-pc

to use precompiled binaries, or:

make install-built

to use program files built on your system with the make command. Note that make install-built will build the files if they are not already present.

To install the man pages, type:

make install-man

The default installation location is /usr/local/bin for binaries and /usr/local/man for man pages. To override this, add PREFIX=some_location to the end of the command line, where some_location/bin is your preferred destination for binaries and some_location/man for man pages.

Other commands

To build the external libraries only:

make libs

To build a specific component of the package:

make scrub
make clean
make pipewash
make libnmr_wash.a

Note that clean is the name of one of the binaries in this package, so make clean does not have its usual meaning!

To remove all files generated in the build process:

make cleanup

Building in Xcode

If you would like to build the software in Xcode 3 or 4:

  1. Change to the libs directory in your terminal, and type make to build the external libraries.

  2. Open nmr_wash.xcodeproj in Xcode.

  3. Open the Xcode preferences and choose "Source Trees" (which may be under "Locations," depending on the version of Xcode), then add the following:

    BLITZ_DIR = libs/blitz-0.10
    BOOST_INCLUDE_DIR = libs/boost
    BOOST_LIB_DIR = libs/boost/stage/lib
    CMINPACK_DIR = libs/cminpack-1.1.2
    CMINPACK_LIB_DIR = libs/cminpack-1.1.2
    SCITBX_DIR = libs/scitbx
  4. Choose the build scheme corresponding to the product you would like to build, and press Cmd-B (or choose Product -> Build) to build it. The product will appear in your DerivedData directory, which might be hard to find; you can find it by looking at the build output in the log, or you can override it in the Xcode preferences and/or the project settings.

If You Downloaded the git Repository from BitBucket

...you will not have the external libraries. You can download these from their original source websites and build them yourself, then update the variables at the top of the makefile (or the Xcode source trees) with the correct paths.
Alternatively, you can download a TAR archive with only the external libraries from our website. This should be unpacked and the products copied into your nmr_wash directory, under libs. You can then build using the (unchanged) makefile and/or the Xcode project with the source trees listed above.