RPM of exciting

[Marcin Dulak]

Hi,

i'm trying exciting.hydrogen.9.10.tar.gz on CentOS 5.4 i686 with
g95-0.91.
There are tests that fail (I attach the failed.xml file (the largest
one, but not complete list of failures)).

I would also like to comment on packaging of exciting:
- i think it's more common to name the tar file using "exciting-
hydrogen" instead of exciting.hydrogen
Is hydrogen a kind of version number?
This will cause some troubles for RPM packaging, if the next release
is called helium, then RPM will treat it as two different packages.
I see in http://static.exciting-code.org/exciting.9.10.linux32.deb
that "hydrogen" is skipped.
- it would be better that the contents of the tar file corresponds to
the name of the package:
currently exciting.hydrogen.9.10.tar.gz contains "exciting" directory.
- adding an option to skip compilation of blas/lapack/arpack, ... if
one wants to use an optimized one,
would save some compilation time,
- it would be nice to have a general make.inc that reads from
environment variables,
to avoid the captive interface,
- the tests report (accessed in a browser from report/index.html) is
not very clear:
clicking for example on "failed" for "Test run Nr:01" and "Test run Nr:
02" shows (slightly different) results from all test0* directories.

CAMd (http://www.camd.dtu.dk/) hosts currently an RPM spec file of
exciting.
RPM build instructions of exciting on CentOS 5.4 (probably works also
on Fedora Core):

0. as root:
yum install rpm-build blas-devel lapack-devel

1. as standard user:
cd; mkdir rpmbuild; cd rpmbuild; mkdir SPECS SOURCES BUILD
chmod -R go+rx ../rpmbuild
cd SPECS
RPM_ROOT=https://svn.fysik.dtu.dk/projects/rpmbuild/branches/
campos_installer/
wget ${RPM_ROOT}SPECS/exciting-species.spec
wget ${RPM_ROOT}SPECS/exciting.spec
wget http://www.g95.org/g95.spec
cd ../SOURCES
wget ${RPM_ROOT}SOURCES/exciting.make.inc
wget http://static.exciting-code.org/exciting.hydrogen.9.10.tar.gz
wget http://ftp.g95.org/v0.91/g95_source.tgz
wget ftp://gcc.gnu.org/pub/gcc/releases/gcc-4.0.3/gcc-core-4.0.3.tar.gz

2. as standard user, for example on EL5/CentOS5, assumes bash:
disttag=el5.exciting
echo "%disttag $disttag" >> ~/.rpmmacros
echo "%_topdir ${HOME}/rpmbuild" >> ~/.rpmmacros
cd ~/rpmbuild/SPECS
rpmbuild -bb g95.spec
rpmbuild -bb --without default_version exciting-species.spec
chmod go+r ../RPMS/*/*.rpm
su -c "rpm -ivh ../RPMS/*/g95*.rpm"
su -c "rpm -ivh ../RPMS/noarch/*.rpm"

rpmbuild -bb --without default_version \
--with compiler=g95 --with compiler_version=0.91 --with
compiler_bindir=/usr/local/bin \
--with blas_version=3.0 --with lapack_version=3.0 \
--without parallel --with prefix=/opt/exciting/9.10-1.$
{disttag} exciting.spec
chmod go+r ../RPMS/*/*.rpm
su -c "rpm -ivh ../RPMS/*/exciting-*.rpm"
3. set environment variables with (you can copy these files to /etc/
profile.d to make it permanent):
. /opt/exciting-species/9.10-1.${disttag}/exciting-species-9.10.sh
. /opt/exciting/9.10-1.${disttag}/bin/*.sh

For a more complex build see
https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS?action=show#build-the-following-for-exciting

Best regards,

Marcin

[Christian]

Dear Marcin,
Thank you for the report of your experience. It just reminds me that
we are only at the beginning with the public presence of exciting.
Concerning the tests I have to admit that I did not look at them after
we did som changes in the output messages and the species definitions.
That did break the assertions. I have fixed the tests in the master
and will put them on github soon. In future we really want to be more
agressive about testing, the build/test system that should send more
nagging mail is not ready by now.

Concerning the version numbering: We have code names for publicity
like "Hydrogen" but technically for package managers we want to adhere
to a date based version numbering consisting of year and month. The
debian package has exciting as package name and a version number like
YY.mm.dd. I was not aware of that the naming of the tar archive
affects package managers.

Concerning the RPM I'm not sure if I understand you are building RPMs
of exciting?

About your remarks about the build system: I personally would like to
use something like the auto tools but there is only one thing I know
about them is that they can be a beast if you are not really knowing
what your are doing. So we rather stick to the simplistic approach
which requires user expertise. If however, someone volunteers to
implement a configure script I think we all would be glad. Such a
configure script would have to cover the blas lapack, but also the MPI
libraries and multithreading and the Fox configure script. Which is, I
guess, fairly complex. What do you think?

On 25 Nov., 12:44, Marcin Dulak <marcin.du...@gmail.com> wrote:
> Hi,
>
> i'm trying exciting.hydrogen.9.10.tar.gz on CentOS 5.4 i686 with
> g95-0.91.
> There are tests that fail (I attach the failed.xml file (the largest
> one, but not complete list of failures)).

>
> I would also like to comment on packaging of exciting:
> - i think it's more common to name the tar file using "exciting-
> hydrogen" instead of exciting.hydrogen
> Is hydrogen a kind of version number?
> This will cause some troubles for RPM packaging, if the next release
> is called helium, then RPM will treat it as two different packages.

> I see inhttp://static.exciting-code.org/exciting.9.10.linux32.deb

> wgethttp://www.g95.org/g95.spec

> cd ../SOURCES
> wget ${RPM_ROOT}SOURCES/exciting.make.inc
> wgethttp://static.exciting-code.org/exciting.hydrogen.9.10.tar.gz
> wgethttp://ftp.g95.org/v0.91/g95_source.tgz

> wgetftp://gcc.gnu.org/pub/gcc/releases/gcc-4.0.3/gcc-core-4.0.3.tar.gz

>
> 2. as standard user, for example on EL5/CentOS5, assumes bash:
> disttag=el5.exciting
> echo "%disttag $disttag" >> ~/.rpmmacros
> echo "%_topdir ${HOME}/rpmbuild" >> ~/.rpmmacros
> cd ~/rpmbuild/SPECS
> rpmbuild -bb g95.spec
> rpmbuild -bb --without default_version exciting-species.spec
> chmod go+r ../RPMS/*/*.rpm
> su -c "rpm -ivh ../RPMS/*/g95*.rpm"
> su -c "rpm -ivh ../RPMS/noarch/*.rpm"
>
> rpmbuild -bb --without default_version \
>              --with compiler=g95 --with compiler_version=0.91 --with
> compiler_bindir=/usr/local/bin \
>              --with blas_version=3.0 --with lapack_version=3.0 \
>              --without parallel --with prefix=/opt/exciting/9.10-1.$
> {disttag} exciting.spec
> chmod go+r ../RPMS/*/*.rpm
> su -c "rpm -ivh ../RPMS/*/exciting-*.rpm"
> 3. set environment variables with (you can copy these files to /etc/
> profile.d to make it permanent):
> . /opt/exciting-species/9.10-1.${disttag}/exciting-species-9.10.sh
> . /opt/exciting/9.10-1.${disttag}/bin/*.sh
>

> For a more complex build seehttps://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS?action=sho...
>
> Best regards,
>
> Marcin