Differences

This shows you the differences between two versions of the page.

--- doku:spack-transition [2023/05/04 08:32] – katrin
+++ doku:spack-transition [2023/05/08 07:45] – katrin
@@ Line 1: / Line 1: @@
 ====== SPACK - migration to setup without environment  ======
-===== Problems of SPACK environments =====
+===== Motivation: problems of SPACK environments =====
 Having worked with //spack environments// for some time, we have encountered several severe issues which have convinced us that we need to find a more practical way of maintaining software packages on VSC.
@@ Line 14: / Line 14: @@
 ===== New approach without environments =====
-There are three separate spack installation trees corresponding to the CPU/GPU architectures on VSC:
+There are now three separate spack installation trees corresponding to the CPU/GPU architectures on VSC:
   * skylake - Intel CPUs; works on Intel Skylake and Cascadelake CPUs
@@ Line 63: / Line 63: @@
 ----
-===== Migration script - search.py =====
+===== Migration script - "spacksearch" =====
-If you want to find a list of packages or modules which correspond to the software you have been using until now, you may use the following script:
+==== Method 1 ====
+If you need to find a list of packages or modules which correspond to the software you have been using until now, you can use the alias **spacksearch** to do that
+<code>
+alias spacksearch='/usr/bin/python3.9 /opt/sw/spack-scripts/search/search.py'
+</code>
+The script can be used like in the following example:
 <code>
-zen [user@l51 ~] python3 /opt/sw/spack-scripts/search/search.py <hash>
+zen [user@l51 ~] spacksearch <hash>
 </code>
-where ''<hash>'' is the 7 character hash of the package that you see at the end of the module name or in the output of ''spack find -l <package>''.
+where ''<hash>'' is the 7 character hash of the package that you see at the end of the module name or in the output of ''spack find -l <package>''
 ==== Usage Example ====
@@ Line 90: / Line 98: @@
 <code>
-zen [user@l51 ~]$ module load python/3.9.15-gcc-12.2.0-my6jxu2
+zen [user@l51 ~]$ spacksearch jsfjwaz
-zen [user@l51 ~]$ python3 /opt/sw/spack-scripts/search/search.py jsfjwaz
 ==> The package hash jsfjwaz refers to netcdf-c and belongs to vsc5 as:
@@ Line 119: / Line 125: @@
 </code>
-You can also switch to another spack tree and search for packages there, e.g. cuda-zen:
+To search for packages in a different spack tree you can just change to that tree and then run **spacksearch** there.
+For example to search in the 'cuda-zen' spack tree:
 <code>
 zen [user@l51 search]$ cuz
-cuda-zen [user@l51 search]$ python3 ./search.py jsfjwaz
+cuda-zen [user@l51 search]$ spacksearch jsfjwaz
 ==> The package hash jsfjwaz refers to netcdf-c and belongs to vsc5 as:
@@ Line 142: / Line 150: @@
 spack find -lvd /upkxxi
 </code>
+==== Method 2 ====
+Add this function to your ''.bashrc'' file:
+<code>
+## spack command wrapper, so we can include our own `spack something`
+## commands, like `spack search`:
+spack () {
+    case "$1" in
+        "search")
+            python3 /opt/sw/spack-scripts/search/search.py "$2"
+            ;;
+        *)
+            command spack "$@"
+    esac
+}
+</code>
+Usage example:
+<code>
+skylake [user@l41 ~]$ spack search asd
+==> The package hash asd refers to python and belongs to vsc4 as:
+     python +bz2+ctypes+dbm~debug+libxml2+lzma~nis~optimizations+pic+pyexpat+pythoncmd+readline+shared+sqlite3+ssl~tix~tkinter~ucs4+uuid+zlib
+==> Searching similar python modules at skylake...
+---/gpfs/opt/sw/skylake/spack-0.19.0/share/spack/modules/linux-almalinux8-skylake_avx512---
+python/3.10.8-gcc-9.5.0-qh22vnd
+python/3.10.8-gcc-12.2.0-apbi5uz
+python/3.10.8-intel-2021.7.1-p4x6jid
+==> Load any one of these packages with 'module load mypackage', e.g.:
+module load python/3.10.8-intel-2021.7.1-p4x6jid
+==> Get some additional info with 'spack find -lvd mypackage', e.g.:
+spack find -lvd /p4x6ji
+</code>
+----
@@ Line 159: / Line 210: @@
 <box 80% round red|Warning>This approach is not recommended and we will no longer maintain the spack environments or install new packages there</box>
+===== Continue working with old spack environments =====
+You may also continue to work with the spack environments. If you wish to do so you need the following commands:
+==== On zen3 ====
+<code>
+source /opt/sw/spack-0.17.1/share/spack/setup-env.sh
+spacktivate zen3
+</code>
+==== On skylake ====
+<code>
+source /opt/sw/spack-0.19.0/share/spack/setup-env.sh
+spacktivate skylake
+</code>
+<box 80% round red|Warning>This approach is not recommended and we will no longer maintain the spack environments or install new packages there</box>
 ----
@@ Line 182: / Line 255: @@
 ----
-===== Setting LD_LIBRARY_PATH =====
+==== Setting LD_LIBRARY_PATH ====
 Loading a module does no longer automatically set the ''LD_LIBRARY_PATH'' environment variable, as with some software packages this has lead to conflicts with system libraries. If you have to set ''LD_LIBRARY_PATH'' you may use: