Differences

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

--- technical:recipes:emcee-in-virtualenv [2020-07-16 10:25] – created frey
+++ technical:recipes:emcee-in-virtualenv [2021-02-24 23:45] (current) – frey
@@ Line 134: / Line 134: @@
   * pyklip
 packages should all be present in the list.
+Return the shell environment to its original state before proceeding:
+<code bash>
+$ vpkg_rollback all
+</code>
 ===== VALET Package Definition =====
@@ Line 139: / Line 145: @@
 To simplify the addition of this virtualenv to the runtime environment, a VALET package definition file should be created.  If the virtualenv was installed for use by one or more members of the workgroup, the file should be created as ''${WORKDIR}/sw/valet/«env-name».vpkg_yaml''.  If the virtualenv is for personal use, create the file as ''~/.valet/«env-name».vpkg_yaml''.  Naturally, you must ensure that the directory (''${WORKDIR}/sw/valet'' or ''~/.valet'', respectively) exists prior to creating the package definition file.
-The package definition file uses [[https://yaml.org|YAML]].  Information to know before proceeding:
+The package definition file uses the [[https://yaml.org|YAML]] format.  Information to know before proceeding:
 ^Item^Description^Value in this example^
 |''«env-name»''|The name of the virtualenv created|''mcmc-env''|
 |''«prefix»''|The directory in which the ''«env-name»'' directory to hold the virtualenv was created|''/work/workgroup/sw''|
 |''«version»''|The version identifier chosen for this instance of the virtualenv|''20200716.01''|
+|''«vpkg-file»''|The path to the virtualenv package definition file|''/work/workgroup/sw/valet/mcmc-env.vpkg_yaml''|
 The package definition file should follow this format:
@@ Line 151: / Line 159: @@
     prefix: «prefix»/«env-name»
     description: emcee and pyKLIP python environments
+    flags:
+        - no-standard-paths
     default-version: "«version»"
     actions:
@@ Line 165: / Line 175: @@
 </code>
-For the virtualenv created in the course of this recipe, the resulting file (''/work/workgroup/sw/valet/mcmc-env.vpkg_yaml'') would look like:
+For the virtualenv created in the course of this recipe, the resulting file ''«vpkg-file»'' would look like:
 <code yaml>
@@ Line 171: / Line 181: @@
     prefix: /work/workgroup/sw/mcmc-env
     description: emcee and pyKLIP python environments
+    flags:
+        - no-standard-paths
     default-version: "20200716.01"
     actions:
@@ Line 185: / Line 197: @@
 </code>
+The file can be checked for proper syntax:
+<code bash>
+$ vpkg_check "«vpkg-file»"
+</code>
+If all is okay, then the virtualenv can be loaded in login sessions or in job scripts as:
+<code bash>
+$ vpkg_require «env-name»/«version»
+</code>
+which for this recipe is:
+<code bash>
+$ vpkg_require mcmc-env/20200716.01
+Adding dependency `libfabric/1.6.1` to your environment
+Adding dependency `openmpi/3.1.3` to your environment
+Adding dependency `intel-python/2019u5:python3` to your environment
+Adding package `mcmc-env/20200716.01` to your environment
+$ which python3
+/work/workgroup/sw/mcmc-env/20200716.01/bin/python3
+$ which pip
+/work/workgroup/sw/mcmc-env/20200716.01/bin/pip
+</code>
+==== Adding New Instances of the virtualenv ====
+Each new instance of the virtualenv will receive a unique version identifier prior to being created.  Append a new //versions// dictionary to the package definition file:
+<code yaml>
+mcmc-env:
+    prefix: /work/workgroup/sw/mcmc-env
+    description: emcee and pyKLIP python environments
+    flags:
+        - no-standard-paths
+    default-version: "20200716.01"
+    actions:
+        - action: source
+          script:
+              sh: anaconda-activate.sh
+          success: 0
+    versions:
+        "20200716.01":
+            description: July 16, 2020, build 01
+            dependencies:
+                - openmpi/3.1.3
+                - intel-python/2019u5:python3
+        "20200716.02":
+            description: July 16, 2020, build 02
+            dependencies:
+                - openmpi/4.0.2
+                - intel-python/2019u5:python3
+</code>
+where the dependencies will change if different versions of the Open MPI library or Intel distribution for Python were used when creating the virtualenv.
+If the new version should be promoted to being the default (e.g. when ''vpkg_require mcmc-env/default'' is used) then alter the ''default-version'' value accordingly.