Hello,
If you don't have root access to install the necessary packages, a tool
like spack (
https://spack.io/) could help you. I think that Amber is
already a pre-defined package there.
Spack is a software that will help you install all the necessary
components. Basically, it will do for you all the steps (download, extract,
compile, install). You can get the compilers, the libraries, etc with
it, optimized for your architecture.
If you haven't heard about Spack before, have a look at their tutorial.
It's a nice tool. But beware that getting your Amber package all wrapped up
will take some time (because you will recompile everything, including the
libraries needed for the compiler). Many cores on your workstation/node
will help :-).
Gerald.
On Tue, Jun 29, 2021 at 3:53 AM Smith, Ally <allysmith.umaryland.edu> wrote:
> Hello,
>
> I'm trying to install the necessary packages needed to compile Amber20 on
> Ubuntu 18.04 but can't use apt install because I don't have sudo
> privileges; our sysadmin would prefer that I install everything locally, if
> possible. I've tried downloading and configuring the packages to install in
> a local directory by writing a config.site file (see attached) in
> /home/username/local/share and then performing:
>
> * cd /home/username/local
> * apt source package
> cd package
> ./configure --prefix=/home/username/local
> make && make install
>
> I initially tested this with the flex package but according to the
> config.log, there are several missing dependencies (this is not a
> comprehensive list):
>
> AUTOCONF = '${SHELL} /home/username/build/flex-2.6.4/build-aux/missing
> autoconf'
> AUTOHEADER = '${SHELL} /home/username/build/flex-2.6.4/build-aux/missing
> autoheader'
> AUTOMAKE = '${SHELL} /home/username/build/flex-2.6.4/build-aux/missing
> automake-1.15'
> INDENT = '${top_srcdir}/build-aux/missing indent'
> YACC = '${top_srcdir}/build-aux/missing bison -y'
>
> Does anyone have suggestions for installing the required packages and
> dependencies without repeating this process iteratively or changing the
> root directory? If not, I can ask our sysadmin to install the missing
> libraries/compilers with the APT package manager.
>
> Thanks in advance,
> Ally Smith
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 29 2021 - 23:00:02 PDT
