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[求助]
xcrysden 在cygwin上安裝遇到的問題，求高人幫我看一下。
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cygwin安裝后，我的package是從http//mirrors.ustc.edu.cn 上下的安裝安裝完后打開顯示 Copying skeleton files. These files are for the users to personalise their cygwin experience. They will never be overwritten nor automatically updated. './.bashrc' -> '/home/zr//.bashrc' './.bash_profile' -> '/home/zr//.bash_profile' './.inputrc' -> '/home/zr//.inputrc' './.profile' -> '/home/zr//.profile' 應(yīng)該是成功了吧， 感覺是少了libGL1, libGLU1,more這幾個包，也不知道影響了沒有 然后開始解壓，后面步驟如下所示 zr@zr-PC ~ $ cd /home/zr/XCrySDen-1.5.18-bin-shared zr@zr-PC ~/XCrySDen-1.5.18-bin-shared $ ./xcConfigure.sh ======================================================================== * * * * XCRYSDEN's Configuration/Setup Utility * * * * ------------------------------------------------------------------------ XCRYSDEN version: 1.5.18 PLEASE FOLLOW INSTRUCTIONS DURING THE CONFIGURATION PROCEDURE !!! ========================================================================= Press <Enter> to continue ... Please specify XCRYSDEN_SCRATCH directory (default: /home/zr/xcrys_tmp): Updating profile file /home/zr/.bashrc ... OK The following record was inserted into /home/zr/.bashrc: #------------------------------------------------------------------------ # this is for XCRYSDEN 1.5.18; added by XCRYSDEN installation on # 2014年11月16日 14:26:37 #------------------------------------------------------------------------ XCRYSDEN_TOPDIR=/home/zr/XCrySDen-1.5.18-bin-shared XCRYSDEN_SCRATCH=/home/zr/xcrys_tmp export XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH PATH="$XCRYSDEN_TOPDIR:$PATH:$XCRYSDEN_TOPDIR/scripts:$XCRYSDEN_TOPDIR/util" I am about to create the $HOME/.xcrysden/custom-definitions file, which is XCRYSDEN's customization file. Press <Enter> to continue ... Answer the following question(s) please: ---------------------------------------- CRYSTAL is an electronic structure program for periodic systems. (http://www.crystal.unito.it/) Do you have a CRYSTAL package ([y]es/[n]o): n Is this correct ([y]es/[n]o): y creating new /home/zr/.xcrysden/custom-definitions ... OK Press <Enter> to continue ... XCRYSDEN uses a few external utility programs. These are the following: 1.) the "Open Babel" program is needed to display molecular structure from Gaussian Z-matrix file. 2.) the ImageMagick's suit of programs is used to print-to-file (PNG/JPG/GIF/ ...), to create animated-GIFs, and to screen dump windows. 3.) the "Mplayer's mencoder" program is used to create AVI/MPEG movies from the animation snapshots. 4.) xcrysden may also use other programs such as gifsicle, xwd, ppmtompeg, .. . Links -- Open BABEL: http://openbabel.org/ IMAGEMAGICK: http://www.imagemagick.org/ MENCODER: http://www.mplayerhq.hu/ Press <Enter> to continue ... Please report BUGS to Tone.Kokalj@ijs.si. TERMS OF USE: ------------- XCRYSDEN is released under the GNU General Public License. Whenever graphics generated by XCrySDen are used in scientific publications, it shall be greatly appreciated to include an explicit reference. The preferred form is the following: [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003. Code available from http://www.xcrysden.org/. XCRYSDEN tips: - try: xcrysden --help - occasionally clean the xcrysden scratch directory (you can use the "xc_cleanscratch" utility) Press <Enter> to continue ... vi .bashrc FINAL NOTICE: before running xcrysden please load (source) your profile, i.e.: - for bash: source ~/.bashrc - for csh or tcsh: source ~/.cshrc - for sh: . ~/.profile Then type: xcrysden zr@zr-PC ~/XCrySDen-1.5.18-bin-shared $ xcrysden -bash: xcrysden: command not found zr@zr-PC ~/XCrySDen-1.5.18-bin-shared |
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