Closed GoogleCodeExporter closed 9 years ago
You are running build.sh inside the source directory of votca-csg-1.2/src, that
is not how it should be done. Try:
mkdir XXX
cd XXX
wget http://votca.googlecode.com/hg/build.sh
chmod +x build.sh
./build.sh --prefix YYY tools csg
XXX is the directory, where you want to store the sources
YYY is the directory, where you want to install votca
Original comment by christop...@gmail.com
on 5 Jul 2011 at 3:03
I have the folder stored on my desktop and I have tried to install votca in that folder as well as a different folder which i have created. Both times, I receive the error. The line that I have been using is listed below:
prefix=/home/michael/Desktop/votca-csg-1.2
mkdir -p ${prefix}/src
cd ${prefix}/src
wget http://votca.googlecode.com/hg/build.sh
chmod +x build.sh
Thank You for your help,
Michael
./build.sh --prefix ${prefix} tools csg
Original comment by manningm...@gmail.com
on 5 Jul 2011 at 3:53
I had another look at your error message from above, I guess you downloaded the
votca-csg tarball yourself, which confuses the build script. Actually the build
script is doing the download automatically. So just remove everything in except
build.sh in ${prefix}/src and try again.
If you experience any further problems just keep on posting here!
Original comment by christop...@gmail.com
on 5 Jul 2011 at 4:12
my first command was "prefix=/home/michael/desktop/votca"
which is where I want the program to install.
then I ran the line you suggested
michael@michael-laptop:~/Desktop$ ./build.sh --prefix ${prefix} tools csg
This is VOTCA build.sh, version 1.6.1
prefix is '/home/michael/Desktop/Votca/src/'
Using 3 jobs for make
Working on tools
Doing checkout for tools from https://tools.votca.googlecode.com/hg/
(CTRL-C to stop) 5 4 3 2 1
./build.sh: line 499: hg: command not found
michael@michael-laptop:~/Desktop$
thanks-
michael
Original comment by manningm...@gmail.com
on 5 Jul 2011 at 5:04
hg is the executable of mercurial package.
Either install mercurial or add the '--latest' option to the build.sh
commandline to make build.sh download the tarballs for you.
I usually prefer mercurial, as it makes it easier to update later on.
Original comment by christop...@gmail.com
on 5 Jul 2011 at 5:11
I installed Boost, but the installer couldnt find it so I used the internal
version... but now I am getting this message...
(I only included the part with the errors)
-- Looking for gsl_linalg_QR_decomp in
/usr/local/lib/libgsl.so;/usr/local/lib/libgslcblas.so
-- Looking for gsl_linalg_QR_decomp in
/usr/local/lib/libgsl.so;/usr/local/lib/libgslcblas.so - found
-- checking for module 'sqlite3'
-- package 'sqlite3' not found
-- Could NOT find SQLITE3 (missing: SQLITE3_LIBRARY SQLITE3_INCLUDE_DIR)
CMake Error at src/libtools/CMakeLists.txt:46 (message):
SQLITE3 not found, make sure you have also installed the sqlite3 and it's
dev package, at this point sqlite3 is only needed for charge transport
parts of VOTCA, so you can just switch it off using -DWITH_SQLITE3=OFF in
case you do not need it.
Original comment by manningm...@gmail.com
on 5 Jul 2011 at 6:53
Do have an error message for the boost problem (cmake error.log)?
Do you want to study charge transport?
Otherwise just add -DWITH_SQLITE3=OFF to the build.sh commmandline.
Original comment by christop...@gmail.com
on 5 Jul 2011 at 7:08
Thank You, now do I have to have GMX 5.0 to use VOTCA or can I use my current
version and use the -DWITH_GMX=OFF tag while installing?
Original comment by manningm...@gmail.com
on 5 Jul 2011 at 7:20
No, gromacs 4.5 or even 4.0 is enough and Ubunutu has it as a package.
Depending on what you want to simulate, but I do not recommend disabling
gromacs.
Original comment by christop...@gmail.com
on 5 Jul 2011 at 9:05
[deleted comment]
Can you please post the exact error message?
There was a problem due to a wrong define in the gromacs headers, which
appeared on Ubuntu, but was fixed 2 years ago:
<http://repo.or.cz/w/gromacs.git/commit/8afd6f89545357acf68a2ea9a1b78d836c249066
>
Which version of gromacs is installed on your machine?
Original comment by christop...@gmail.com
on 6 Jul 2011 at 8:46
-- Looking for sqrt in m - found
-- checking for module 'libgmx_d'
-- package 'libgmx_d' not found
-- Could NOT find GMX_D (missing: GMX_D_LIBRARY GMX_D_INCLUDE_DIR)
CMake Warning at src/libcsg/CMakeLists.txt:41 (message):
gromacs-4.5 double precision not found failback to single precision
-- checking for module 'libgmx'
-- package 'libgmx' not found
-- Could NOT find GMX (missing: GMX_LIBRARY GMX_INCLUDE_DIR)
CMake Error at src/libcsg/CMakeLists.txt:44 (message):
gromacs-4.5 (single or double) not found, make sure you have also installed
the gromacs-5.0 and it's dev package or disable it with -DWITH_GMX=OFF. If
you have gromacs-5.0 installed enable to build against it with
-DWITH_GMX_DEVEL=ON
-- Configuring incomplete, errors occurred!
I am running the modified version of 3.3.1 for Martini.
Original comment by manningm...@gmail.com
on 7 Jul 2011 at 4:04
gromacs-3 is not supported.
You can try if it builds anyhow by setting GMX_LIBRARY and GMX_INCLUDE_DIR, e.g.
-DGMX_LIBRARY=/path/to/libgmx.a -DGMX_INCLUDE_DIR=/path/to/include/gromacs
You can also build csg against gromacs 4.5 to have support for trr and xtc
files, but use your modified version for Boltzmann inversion.
Original comment by christop...@gmail.com
on 7 Jul 2011 at 5:04
I have updated our dependency wiki page accordingly, actually starting with
version 1.2 we do not even support gromacs 4.0 officially anymore, but with
some tweaking it should build.
Did you get it working with gromacs 3.3? Maybe you have to add '-DGMX=40'.
Original comment by christop...@gmail.com
on 17 Jul 2011 at 1:11
Original issue reported on code.google.com by
manningm...@gmail.com
on 5 Jul 2011 at 2:50