![]() ![]() Load the molecule you want to work with on Avogadro and then select "Psf/Pot." or "CP2K > Generate Input." in "Extensions" menu. If you get "Psf/Pot." and "CP2K"entries in Avogadro "Extensions" menu, the installation was successful. Put this dll in (Avogadro install dir, maybe C:/Program Files/Avogadro)/lib/avogadro/1_2/extensions/. If nmake completes successfully, cp2kextension.dll is created in (avogadro root)/scripts/lib (or (avogadro root)/scripts/lib/Release). Launch Visual Studio 20XX command prompt, change the current working diretory to (avogadro root)/scripts and execute the command "nmake" or "nmake cp2kextension". Add a sentence "add_subdirectory(cp2k)" onto the end of (avogadro root)/libavogadro/src/extensions/CMakeLists.txt. Or Compiling on Windows with MSVC 2010 accroding as your environment.Ĭopy the cp2k folder and all contents to (avogadro root)/libavogadro/src/extensions directory. Here I described only a way to intall on your Windows PC from sources since I worked only on Windows.īuild and install Avogadro from github master source codesīy following the instruction Compiling on Windows with MSVC2008 If you find 'Psf/Pot.' and 'CP2K' entries in 'Extensions' menu, the installation was successful. Copy cp2kextension.dll in For_Avogadro120 directory to (Avogadro install directory, maybe C:\Program Files\Avogadro)\lib\Avogadro\1_2\ extensions directory. Installation Using with precompiled binaryĪn easy way to use libavogadro1cp2k is to use with precompiled Avogadro for Windows.ĭownload the Avogadro installer for Windows (Avogadro-1.2.0-win32.exe) from ( ) and install the Avogadro binary on your Windows PC.ĭownload ( ) and unzip it. DescriptionĪ generator of CP2K input, CHARMM-style Force Field Parameter (pot) and Protein Structure File (psf) and a CP2K output visualizer for Avogadro 1. It also generates CHARMM-Style Parameter (pot) / Protein Structure File (psf). ![]() If you would like to see a donation link for the application here, please include one in the AppStream data.CP2K input generator and output visualizer for Avogadro 1. You can specify the URL to a nicer one by shipping an AppStream metainfo file. The screenshot for avogadro has been automatically taken during a fully automated test. There is an online tool that makes it easy to make one. Improve this entry by shipping an AppStream metainfo file inside the AppImage in the usr/share/metainfo directory. Tools like appimagetool and linuxdeployqt can do this for you easily. zsync file so that it can be updated using AppImageUpdate. Please consider to add update information to the avogadro AppImage and ship a. Pro Tips for further enhancing the avogadro AppImage Great! Here are some ideas on how to make it even better. Thanks for distributing avogadro in the AppImage format for all common Linux distributions. If you would like to have the executable bit set automatically, and would like to see avogadro and other AppImages integrated into the system (menus, icons, file type associations, etc.), then you may want to check the optional appimaged daemon. If you would like to update to a new version, simply download the new avogadro AppImage. This is entirely optional and currently needs to be configured by the user. If you want to restrict what avogadro can do on your system, you can run the AppImage in a sandbox like Firejail. Then double-click the AppImage in the file manager to open it. Use at your own risk!ĭownload the avogadro AppImage and make it executable using your file manager or by entering the following commands in a terminal: Follow these instructions only if you trust the developer of the software. This is a Linux security feature.īehold! AppImages are usually not verified by others. However, they need to be marked as executable before they can be run. Unlike other applications, AppImages do not need to be installed before they can be used. Running avogadro on Linux without installation ![]() Most AppImages run on recent versions of Arch Linux, CentOS, Debian, Fedora, openSUSE, Red Hat, Ubuntu, and other common desktop distributions. No system libraries or system preferences are altered. Download an application, make it executable, and run! No need to install. Awesome!ĪppImages are single-file applications that run on most Linux distributions. Avogadro is available as an AppImage which means "one app = one file", which you can download and run on your Linux system while you don't need a package manager and nothing gets changed in your system. ![]()
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