Installing Plumed. Plumed is an exiting “new” rare-event code that is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. The Mac binaries are built on OS X 10.5.8. Prepare your system by installing required dependencies. For a RHEL 6.3 system, these can be obtained from the Yum repositories by executing the command. On Mac OS X (version 10.3 or later) LAPACK is built-in, but on other platforms, the C port of LAPACK, called CLAPACK, must be installed for PHAST to be fully functional. Install PHAST using Binaries Compiling PHAST from Source. まっさらのMacPowerBook Pro (OSは Mac OS X version 10.7, Lion) に gfortranとLapackを導入してみました。 また半日ほど彷徨ってなんとかできました。 プロセッサは 2.2 GHz Intel Core i7 （クアッドコア？よく知らん。どこでみれるの？） メモリは 8GB 1333 MHz DDR3です。. Jun 30, 2017 If the BLAS and LAPACK shared and/or static libraries are installed, there should be no further problems following the installation instructions below. Mac OS X A binary can be built for Mac using Apple's optimized versions of the BLAS and LAPACK libraries, which are contained in the 'vecLib' sub-framework, part of the 'Accelerate' framework.

1. Installing Lapack On Mac Os X 10 11 Download Free
2. Install Lapack Ubuntu

The QPtomographer package uses the standard setuptools Pythoninfrastructure, providing a setup.py script like most other Python packages.

It may also be installed, as most other Python packages, using pip.

There are some little things to set up first however.

Prerequisite: Install BLAS/Lapack¶

You need a working installation of BLAS/Lapack. This is provided by default onMac OS X, in which case you don’t have to do anything. On Ubuntu, run thecommand:

Prerequisite: Compile SCS¶

You need to compile SCS ≥ 2.0. We make use ofthis great library to calculate the diamond norm distance between two channels.(Unfortunately, it is not enough to install the scs Python package, because weneed SCS’s C interface.)

Make sure you have downloaded SCS version 2.0.0 or later.

Download and unpack SCS, say in$HOME/Downloads/, and compile it with specific options set. This can bedone as follows.

First, download the latest version of SCS into your Downloads directory,unpack that archive, and enter that directory. (You may work in a differentdirectory; the following instructions assume you unpacked SCS in the Downloadsdirectory.)

If you are on Mac OS X, compile SCS with the following command:

Otherwise (e.g. on Linux), compile SCS with the following command:

Notes:

• CTRLC=0 is needed because we will catch Ctrl+C keystrokes ourselves,and we don’t want SCS to interfere with this.

• We neeed USE_OPENMP=0 because our invokation of SCS is already withinparallel tasks, so we want to avoid double-parallelism which won’t speed upanything.

• Lapack is needed for solving SDPs, so it must be enabled withUSE_LAPACK=1.

  You might have to adjust or specify the necessary flags for linking toBLAS/LAPACK (the variable BLASLDFLAGS=...). On Mac OS X, use'-frameworkAccelerate'; on Ubuntu, install for example openblas anduse '-llapack-lblas'. The defaults might be satisfactory. Try and seewhat works.

Prerequisite: Install tomographer and other Python packages¶

Make sure you have already installed the tomographer package (version ≥ 5.4)along with its prerequisites, as described here.Basically, you should run the following commands depending on whether you areusing anaconda or pip:

All pipinstall commands (e.g. pipinstallSOMEPACKAGE) might have to beprefixed by sudo-H (e.g. sudo-HpipinstallSOMEPACKAGE) if you needadministrator priviledges, or you can use the option --user to install intoa user directory (e.g. pipinstallSOMEPACKAGE--user).

The QPtomographer package also requires qutip. Install it beforeproceeding:

Download and install QPtomographer¶

Installing Lapack On Mac Os X 10 11 Download Free

Simplest solution using pip:

The simplest solution to install QPtomographer is using pip. However, youneed to set the environment variable SCS_ROOT to the root directory whereyou downloaded and compiled SCS:

Alternative: Building and installing QPtomographer manually:

You can also install QPtomographer from source. First, obtain the most recentversion of QPtomographer from the releases page.

Then, after unpacking the archive, run the python setup script:

specifying the path where you compiled SCS using the environment variable SCS_ROOT.

Or, to install as administrator:

Important

You should use the same compiler as the one you used to compilethe tomographer package.

Install Lapack Ubuntu

If you leave the default this shouldn’t be a problem.