[xcrysden] problems with installing XCRYSDEN-1.5.24-src-all again

[Elie Albert Moujaes]

Dear all,

I want to apologize as I have bothered you a lot with my problems on 
installing XCrysden; i really want to thank you for all the help you are 
providing me with. I am trying to install XCrysden-1.5.24-src-all on a Debian 
LINUX machine. I came across a script (Make.sys where I have enabled 
possibility 2) that I have added to the folder where Xcrysden was extracted; 
this made use of make all followed by xcConfigure. make all is producing the 
following error:

"
gcc -ansi -funroll-loops -fPIC -DUSE_FONTS   -DUSE_FONTS   -
I/home_cluster/fis718/eliemouj/XCrySDen-1.5.24-src-
all/external/src/tcl8.5.9/generic -I/home_cluster/fis718/eliemouj/XCrySDen-
1.5.24-src-all/external/src/tk8.5.9/generic -
I/home_cluster/fis718/eliemouj/XCrySDen-1.5.24-src-all/external/include  -
I/usr/X11R6/include  -c fft3d.c
fft3d.c:4:19: error: fftw3.h: No such file or directory
In file included from fft3d.c:6:
shankland.h:4:30: error: meschach/matrix2.h: No such file or directory
In file included from fft3d.c:6:
shankland.h:49: error: expected declaration specifiers or â...â before 
âfftw_complexâ
shankland.h:49: error: expected declaration specifiers or â...â before 
âfftw_complexâ
shankland.h:50: error: expected declaration specifiers or â...â before 
âfftw_complexâ
shankland.h:50: error: expected declaration specifiers or â...â before 
âfftw_complexâ
shankland.h:62: error: expected declaration specifiers or â...â before 
âfftw_complexâ
shankland.h:64: error: expected declaration specifiers or â...â before 
âfftw_complexâ
shankland.h:65: error: expected declaration specifiers or â...â before âMATâ
shankland.h:68: error: expected â=â, â,â, â;â, âasmâ or â__attribute__â before 
â*â token
shankland.h:69: error: expected declaration specifiers or â...â before âMATâ
fft3d.c: In function âfft3d_interpolateâ:
fft3d.c:88: error: âfftw_complexâ undeclared (first use in this function)
fft3d.c:88: error: (Each undeclared identifier is reported only once
fft3d.c:88: error: for each function it appears in.)
fft3d.c:88: error: âauxâ undeclared (first use in this function)
fft3d.c:88: error: âfftw2â undeclared (first use in this function)
fft3d.c:89: error: âfftw_planâ undeclared (first use in this function)
fft3d.c:89: error: expected â;â before âpforâ
fft3d.c:96: error: expected expression before â)â token
fft3d.c:97: error: expected expression before â)â token
fft3d.c:99: error: âpforâ undeclared (first use in this function)
fft3d.c:99: error: âFFTW_ESTIMATEâ undeclared (first use in this function)
fft3d.c:100: error: âpbakâ undeclared (first use in this function)
fft3d.c:110: error: too many arguments to function âfft3d_enlarge_complex_r2câ
make[2]: *** [fft3d.o] Error 1
make[2]: Leaving directory `/home_cluster/fis718/eliemouj/XCrySDen-1.5.24-src-
all/C'
make[1]: *** [compile] Error 2
make[1]: Leaving directory `/home_cluster/fis718/eliemouj/XCrySDen-1.5.24-src-
all/C'
make: *** [src-C] Error 2
"

then when executing xcrysden I get another error:

"TCL_LIBRARY=/home_cluster/fis718/eliemouj/XCrySDen-1.5.24-src-
all/external/lib/tcl8.5
XCRYSDEN_TOPDIR=/home_cluster/fis718/eliemouj/XCrySDen-1.5.24-src-all
XCRYSDEN_SCRATCH=/home_cluster/fis718/eliemouj/xcrys_tmp

/home_cluster/fis718/eliemouj/XCrySDen-1.5.24-src-all/xcrysden: line 224: 
/home_cluster/fis718/eliemouj/XCrySDen-1.5.24-src-all/bin/xcrys: No such file 
or directory
"
Well the make all error could be due to missing headers due to the missing 
libxmu. Is there a way to install these without using sudo as I dont have 
access to this..I tried adding 
MESCHACH_LIB= -L/opt/local/lib -lmeschach
FFTW3_LIB = -L/opt/local/lib -lfftw3

but this also did not work. As to the second erro, the "xcrys" file is not in 
bin..Please any help on this..I spent almost 3 days just trying to install 
it..I appreciate it a lot

Regards  Elie

--
Departamento de Fisica - UFMG/ICEx

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