| 查看: 410 | 回复: 0 | |||
| 当前主题已经存档。 | |||
lxmn
|
[交流]
【分享】Updated packages ATK 2009.06
|
||
|
Updated packages ATK 2009.06 An update of ATK SemiEmpirical (version 2009.06.2) is now available, which fixes a couple of issues both in the original packages and in the update 2009.06.1. Details Users who downloaded the original release of ATK (2009.06.0) and who are experiencing problems with the license system should upgrade to this release. In addition, these latest packages contain a few added features, most notably the ability to cleave a crystal. Users who downloaded version 2009.06.1 will find that the Database tool in VNL does not function correctly. To resolve this issue, either download and install the updated packages (2009.06.2) in the usual way, or follow the manual instructions below (the fix consists of a single, small file, so there is not really a need to download the entire package again). ATK 2009.06.2 is available for both 32 and 64 bit Linux platforms. Manual instructions If you already have installed ATK 2009.06.1, it is very simple to patch the installation by hand to resolve the issue with the Database tool. You can apply the fix by editing the file vnl/bin/vnl in the ATK 2009.06 installation tree. On the third line in that file, add the following to the beginning of the line PSEUDOPOTENTIALS_PATH=$EXEC_DIR/../../nlpython/share/pseudopotentials so that file becomes (the lines break in this view due to the limited width of the window, but the file should only contain 3 lines) #!/bin/sh EXEC_DIR=`dirname $0` PSEUDOPOTENTIALS_PATH=$EXEC_DIR/../../nlpython/share/pseudopotentials PYTHONHOME=$EXEC_DIR/.. PYTHONPATH= LD_LIBRARY_PATH=$EXEC_DIR/../lib $EXEC_DIR/vnl_exec $* Alternatively, at the prompt from the directory where you installed ATK 2009.06, type the following commands: cd atk-2009.06/vnl/bin/vnl (modify as needed if you changed the installation directory compared to default) wget http://quantumwise.com/download/patches/2009.06.2/vnl.gz gunzip vnl.gz (answer "y" to overwrite the existing file) If "wget" is not installed on your system, just download the file manually and save it in the atk-2009.06/vnl/bin directory. |
回复此楼» 猜你喜欢
面上再次挂了，太难了，躺也躺不了，倦也卷不过，小学校之殇！
已经有25人回复
-
2026年国自然面上资助率
已经有22人回复
-
面上提前没消息，有中的吗
已经有15人回复
-
基础研究怎么拉横向，学校到款任务越来越多，难以完成 拉横向，都有哪些途径啊
已经有12人回复
-
这种情况还有戏吗
已经有12人回复
-
微信指数没变化，科研之友没阅读
已经有19人回复
-
准备明年的基金了
已经有7人回复
-
2027年申博
已经有3人回复
-
一个有机合成实验室都需要哪些设备？
已经有7人回复
-
HXDI做水性聚氨酯乳液，是不是特别容易出渣
已经有3人回复