Ghemical v1.0.0 -dependency broken?

[renihs]

hi
since ghemical v1.0.0 i cant sucessfully emerge it anymore...it seems like i am missing a package/tool called SC (sc-config). i really dont know in which package this tool is included and googling didnt bring up a solution so far.
thx in advance

here is my error:

**snip**
checking GtkGLArea... yes
checking for gnome-config... /usr/bin/gnome-config
checking if /usr/bin/gnome-config works... yes
checking for sc-config... no
checking SC - version... no
*** The sc-config script installed by SC could not be found
*** If SC was installed in PREFIX, make sure PREFIX/bin is in
*** your path, or set the SC_CONFIG environment variable to the
*** full path to sc-config.
configure: error: Cannot find proper SC version

!!! ERROR: app-sci/ghemical-1.00 failed.
!!! Function src_compile, Line 23, Exitcode 1
!!! (no error message)

[renihs]

i downloaded the 1.0.1 version from ghemicals homepage, compiles fine.

it seems sc-config is a tool included in ghemical but not compiled by default.

anyhow

[highvoltage]

I see this post is a couple of months old, but I think I know what your problem may be so I'll just go ahead and post anyway. Hopefully you find it useful, or perhaps someone else will in the future.

Anyway, sc-config is a configuration script for MPQC ( Massively Parallel Quantum Chemistry). It is listed as a dependency for Ghemical, but it may not always install itself properly. MPQC requires some dependencies to be satisfied, and if your computer does not have these dependencies, the ebuild doesn't necessarily bomb. So it completes (albeit a failure, but portage doesn't know this), and portage adds mpqc to the list of installed programs. Now when you try to emerge Ghemical, it thinks mpqc is installed, but then the configure script bombs on some of the components of MPQC, which are not there.

SO...
The relevant dependencies I have had problems with were blas and lapack, both of which are linear algebra libraries. Apparently the problems lie with the blas and lapack ebuilds, which don't install the libraries properly. This is only a problem with the (default) versions of these ebuilds, but not with the newest ebuilds. I installed blas-19980702-r1.ebuild and lapack-3.0-r1.ebuild (which are both in the current portage tree, but aren't the default ebuilds) and then reinstalled mpqc, which seemed to have fixed the problem. Then I was able to emerge Ghemical fine. Hope this helps.