![]() After this, you need to install the command-line tools. Read through the license (or type q to skip through it), and type agree when prompted. So run the following command in a terminal You can download this from the Mac App store (just search for "xcode").Īfter installing XCode, you need to agree to the license. Installing MacPortsīefore installing MacPorts, you will have to install Apple's developer tools (Xcode). The tutorial below deals with the command-line interface to MacPorts. PortAuthority), but since you need to use the command line for most computational chemistry software, you should probably just stick with the command-line for MacPorts as well. MacPorts is used completely using the command line (use the Terminal program that ships with Mac OS X or some alternative terminal program). MacPorts is a package manager (like yum in Red Hat/CentOS/Fedora or aptitude in Debian/Ubuntu) that manages software by compiling packages and their dependencies from source code. If you just wish to set your Mac up to run Amber, look at the "Installing MacPorts" section below (especially for Mac OS X Lion), and the "Preparing for AMBER" section near the bottom. The second describes installing the necessary packages to build and run Amber. One of the main reasons I like MacPorts better, however, is their selection abilities (you can install different versions of compilers, for instance, and let MacPorts manage symlinks to them), and they build to /opt/local rather than /usr/local (reducing the chance that you will see homebrew files getting in the way). There are alternatives, with homebrew being the most popular. The first section describes how to use and set up my package manager of choice, MacPorts (previously DarwinPorts). OS X is, after all, built on a registered UNIX kernel-Darwin. It is more an overview of using a particular package manager to build and maintain Open Source software from the UNIX world on your Mac computer. However, this setup is applicable to many other computational chemistry/physics packages as well. This means that in your example the output would look like this: A:✕īut B will take a LONG time, and C, D, E and F will be very fast because they have already been upgraded during B.This page describes how to set up Mac OS X to run Amber specifically. note that this will not show the dependencies being installed, but you can tail the log to see what is happening*.if the upgrade was successful I print a "✓" and a newline, otherwise a "✕" and a newline.then I try to upgrade it non interactively, and save the output and errors.for every port I print the port name and a semicolon (without newline ).it might not be pretty but it works: sudo bash -c 'for port in `port outdated 2>/dev/null | tail -n 2 | awk '\''' (tail removes the line "The following installed ports are outdated:") Suppose also that there are too many ports to upgrade them individually. Suppose there are too many ports that fail to exclude them individually. This works if only one independent port fails, but what if I have two or three ports (out of dozens) that fail? Could I do something like, sudo port upgrade outdated and not A and not C and not E (etc.)? ![]()
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