Upgrade to be compatible with pyfirecreset v2.6.0

.pre-commit-config.yaml

@@ -44,5 +44,5 @@ repos:
       additional_dependencies:
       - "types-PyYAML"
       - "types-requests"
-      - "pyfirecrest~=1.4.0"
-      - "aiida-core~=2.4.0"
+      - "pyfirecrest~=2.5.0"
+      - "aiida-core~=2.5.1.post0"

README.md

@@ -5,7 +5,7 @@
 
 AiiDA Transport/Scheduler plugins for interfacing with [FirecREST](https://products.cscs.ch/firecrest/), via [pyfirecrest](https://github.com/eth-cscs/pyfirecrest).
 
-It is currently tested against [FirecREST v1.13.0](https://github.com/eth-cscs/firecrest/releases/tag/v1.13.0).
+It is currently tested against [FirecREST v2.4.0](https://github.com/eth-cscs/firecrest/releases/tag/v2.4.0).
 
 **NOTE:** This plugin is currently dependent on a fork of `aiida-core` from [PR #6043](https://github.com/aiidateam/aiida-core/pull/6043)
 
@@ -65,11 +65,12 @@ $ verdi -p quicksetup computer configure firecrest firecrest-client
 Report: enter ? for help.
 Report: enter ! to ignore the default and set no value.
 Server URL: https://firecrest.cscs.ch
-Token URI: https://auth.cscs.ch/auth/realms/cscs/protocol/openid-connect/token
+Token URI: https://auth.cscs.ch/auth/realms/firecrest-clients/protocol/openid-connect/token
 Client ID: username-client
 Client Secret: xyz
 Client Machine: daint
 Maximum file size for direct transfer (MB) [5.0]:
+Temp directory on server: /scratch/something/
 Report: Configuring computer firecrest-client for user [email protected].
 Success: firecrest-client successfully configured for [email protected]
 ```
@@ -100,15 +101,9 @@ See [tests/test_calculation.py](tests/test_calculation.py) for a working example
 
 ### Current Issues
 
-Simple calculations are now running successfully [in the tests](tests/test_calculation.py), however, there are still some critical issues, before this could be production ready:
+Calculations are now running successfully, however, there are still issues regarding efficency, Could be improved:
 
-1. Currently uploading via firecrest changes `_aiidasubmit.sh` to `aiidasubmit.sh` 😱 ([see #191](https://github.com/eth-cscs/firecrest/issues/191)), so `metadata.options.submit_script_filename` should be set to this.
-
-2. Handling of large (>5Mb) file uploads/downloads needs to be improved
-
-3. Handling of the client secret, which should likely not be stored in the database
-
-4. Monitoring / management of API request rates could to be improved
+1. Monitoring / management of API request rates could to be improved. Currently it leaves it to hand of PyFirecREST.
 
 ## Development
 
@@ -128,6 +123,16 @@ pre-commit run --all-files
 
 ### Testing
 
+There are two types of tests: mocking the PyFirecREST or the FirecREST server.
+While the former is a good practice to ensure that all three (`aiida-firecrest`, FirecREST, and PyFirecREST) work flawlessly, debugging may not always be easy because it may not always be obvious which of the three is causing a bug.
+Because of this, we have another set of tests that only verify the functionality of `aiida-firecrest` by directly mocking PyFirecREST. Maintaining the second set in `tests/tests_mocking_pyfirecrest/` is simpler because we just need to monitor the return values of PyFirecREST​. While maintaining the former is more difficult as you have to keep up with both FirecREST and PyFirecREST.
+
+
+#### Mocking FirecREST server
+
+These tests were successful against [FirecREST v1.13.0](https://github.com/eth-cscs/firecrest/releases/tag/v1.13.0).
+For newer version please refer to tests Mocking PyFirecREST
+
 It is recommended to run the tests via [tox](https://tox.readthedocs.io/en/latest/).
 
 ```bash
@@ -174,7 +179,7 @@ you can use the `--firecrest-requests` option:
 tox -- --firecrest-requests
 ```
 
-### Notes on using the demo server on MacOS
+##### Notes on using the demo server on MacOS
 
 A few issues have been noted when using the demo server on MacOS (non-Mx):
 
@@ -195,3 +200,13 @@ although it is of note that you can find these files directly where you your `fi
 [codecov-link]: https://codecov.io/gh/aiidateam/aiida-firecrest
 [black-badge]: https://img.shields.io/badge/code%20style-black-000000.svg
 [black-link]: https://github.com/ambv/black
+
+
+
+#### Mocking PyFirecREST
+
+These set of test do not gurantee that the firecrest protocol is working, but it's very usefull to quickly check if `aiida-firecrest` is behaving as it's expected to do. To run just simply use `pytest`.
+
+
+If these tests, pass and still you have trouble in real deploymeny that means your installed version of pyfirecrest is behaving differently from what `aiida-firecrest` expects in `MockFirecrest` in `tests/tests_mocking_pyfirecrest/conftest.py`.
+In order to solve that, first spot what is different and then solve or raise to `pyfirecrest` if relevant.