👌 IMPROVE: minor improvements (#12)

- add retry for source download (in case of transient connection issues)
- ensure correct pip is used (in case of python2 being the default)
- Ensure setuptools is up-to-date (for pyyaml installation)
- Ensure tests are re-run if the executable is re-compiled
- Make test cpu count configurable

defaults/main.yml

@@ -6,6 +6,7 @@ bigdft_topdir: "{{ bigdft_code_folder }}/bigdft-suite"
 # bigdft_src: bigdft-suite-{{ bigdft_version }}
 # bigdft_src_archive: "{{ bigdft_src }}.tar.gz"
 # bigdft_url: "https://gitlab.com/l_sim/bigdft-suite/-/archive/{{ bigdft_version }}/{{ bigdft_src_archive }}"
+bigdft_test_cpus: 2
 bigdft_executables:
 - name: bigdft
   folder: "{{ bigdft_prefix }}/bin"

tasks/main.yml

@@ -29,6 +29,9 @@
     force: true
     version: "{{ bigdft_version }}"
   register: bigdft_downloaded
+  until: bigdft_downloaded is not failed
+  retries: 3
+  delay: 5
 
 - name: Create build dir
   file:
@@ -53,10 +56,12 @@
 
 - name: Install python six package
   pip:
-    name: six
-    version: "1.15"
+    executable: pip3
+    name:
+    - "setuptools>=47"
+    - "six~=1.15.0"
 
-- name: Make bigdft executables
+- name: Compile bigdft executables
   become: true
   command: "{{ bigdft_python_path }} ../bundler/jhbuild.py --no-interact --exit-on-error --conditions=+babel -f ./buildrc build spred"
   args:

tasks/tests.yml

@@ -4,8 +4,15 @@
   args:
     chdir: "{{ bigdft_topdir }}/build/bigdft/tests/DFT/cubic"
     creates: "{{ bigdft_topdir }}/build/bigdft/tests/DFT/cubic/C-test"
-- name: run test
-  command: "mpirun --allow-run-as-root --oversubscribe --mca btl_vader_single_copy_mechanism none -np 2 bigdft"
+
+- name: Remove test log on re-compile
+  when: bigdft_make.changed
+  file:
+    path: "{{ bigdft_topdir }}/build/bigdft/tests/DFT/cubic/C-test/log.yaml"
+    state: absent
+
+- name: run test suite
+  command: "mpirun --allow-run-as-root --oversubscribe --mca btl_vader_single_copy_mechanism none -np {{ bigdft_test_cpus }} bigdft"
   become: true
   args:
     chdir: "{{ bigdft_topdir }}/build/bigdft/tests/DFT/cubic/C-test"