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MPSD Computational Science
mpsd-software-manager
Commits
022eef55
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022eef55
authored
1 year ago
by
Hans Fangohr
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rework instructions in preparation for the new package
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first draft of README
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022eef55
MPSD Software
installation
=====================
=====
MPSD Software
manager
=====================
.. contents::
...
...
@@ -20,28 +20,44 @@ Quick start
To install, for example, the ``foss2022a-serial`` toolchain:
1. Clone this repository to the place where you want to install the software environment::
1. Install this mpsd-software-manager Python package. The recommended way is to
use ``pipx`` to that this tool is available independent from the use of any
other python environments::
git clone
https://gitlab.gwdg.de/mpsd-cs/mpsd-software
.git
pipx install git+
https://gitlab.gwdg.de/mpsd-cs/mpsd-software
-manager
2. ``cd mpsd-software``
3. Execute the script to install the toolchain::
2. Navigate to the location in your file system where you would like to store
the compiled software. (Once compiled, the location cannot be changed.) For
example::
$> ./mpsd-software.py install dev-23a foss2022a-serial
cd /home/user/mpsd-software
3. Initiate the installation at this location using::
mpsd-software init .
(This creates a hidden file ``.mpsd-software-root`` to tag the location for
as the root of the installation. All compiled files, logs etc are written in
or below this subdirectory.)
4. From the same directory, run the command to install the ``foss2022a-serial`` toolchain:
$> mpsd-software install dev-23a foss2022a-serial
This will take some time (up to several hours depending on hardware).
4
. To see the installation status, and the required ``module use`` command line
5
. To see the installation status, and the required ``module use`` command line
to activate the created modules, try the ``status`` command::
$>
./
mpsd-software status dev-23a
$> mpsd-software status dev-23a
Installed toolchains (dev-23a):
- cascadelake
foss2022a-serial
[module use /home/
fangohr/git
/mpsd-software
-environments
/dev-23a/cascadelake/lmod/Core]
[module use /home/
user
/mpsd-software/dev-23a/cascadelake/lmod/Core]
...
...
@@ -108,7 +124,7 @@ At the moment (June 2023), there is only one release (that is ``dev-23a``).
For each MPSD software release, multiple toolchains and package sets are available::
$>
./
mpsd-software
.py
available dev-23a
$> mpsd-software available dev-23a
MPSD software release dev-23a, AVAILABLE for installation are
Toolchains:
...
...
@@ -128,40 +144,19 @@ Prerequisites
What needs to be installed for the installation to succeed?
1. ``mpsd-software.py`` installation requirements
+++++++++++++++++++++++++++++++++++++++++++++++++
- a recent version of Python3 (3.9 or newer)
- an environment variable MPSD_MICROARCH to point to the correct microarchitecture of the computer
- or the ``archspec`` command in the search path that can determine this.
Install ``archspec`` as ``pip install archspec`` or ``pipx install archspec``.
If you are on a MPSD-maintained linux laptop, you can probably also use
`apt-get install archspec`.
- Optional: if the ``rich`` package is available, some output will be coloured. (Debian package: `python3-rich` or `pip install rich`)
2. Spack requirements
+++++++++++++++++++++
To be able to compile the toolchains, one needs standard build tools (required by spack). On Debian/Ubuntu, this includes the packages:
autoconf
automake
build-essential
ca-certificates
coreutils
curl
file
gfortran
git
libtool
lmod
openssh-server
python3
rsync
unzip
wget
Probably an ongoing topic of work. We know the following tools need to be available:
- XXX TODO, add, requirements in container from CI might be best. Things like rsync, git, buildtools, Linux-headers,
The ``mpsd-software-manager`` python package.
- This needs a recent Python (3.9 or later).
- Install via pip or pipx.
Pipx commands are::
- to install: ``pipx install git+https://gitlab.gwdg.de/mpsd-cs/mpsd-software-manager``
- to update: ``pipx upgrade mpsd-software-manager``
- to uninstall: ``pipx uninstall mpsd-software-manager``
- Requirements to be able to run `spack <spack.readthedocs.io>`__
- Please check https://spack.readthedocs.io/en/latest/getting_started.html#system-prerequisites
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