Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags

.gitlab-ci.yml

-stages:
-  - test
-
-testing:
-  stage: test
-  script:
-    - cd .. && rm -rf nomad-lab-base
-    - git clone --recursive git@gitlab.mpcdf.mpg.de:nomad-lab/nomad-lab-base.git
-    - cd nomad-lab-base
-    - git submodule foreach git checkout master
-    - git submodule foreach git pull
-    - sbt octopus/test
-    - export PYTHONEXE=/labEnv/bin/python
-    - sbt octopus/test
-  only:
-    - master
-  tags:
-    - test
-    - spec2
\ No newline at end of file

README.md

-# Octopus Parser
+This is a NOMAD parser for [Octopus](https://octopus-code.org/). It will read Octopus input and
+output files and provide all information in NOMAD's unified Metainfo based Archive format.
 
-This is the parser for [octopus](http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page).
-It is part of the [NOMAD Laboratory](http://nomad-lab.eu).
-The official version lives at
+## Preparing code input and output file for uploading to NOMAD
 
-    git@gitlab.mpcdf.mpg.de:nomad-lab/parser-octopus.git
+NOMAD accepts `.zip` and `.tar.gz` archives as uploads. Each upload can contain arbitrary
+files and directories. NOMAD will automatically try to choose the right parser for you files.
+For each parser (i.e. for each supported code) there is one type of file that the respective
+parser can recognize. We call these files `mainfiles` as they typically are the main
+output file a code. For each `mainfile` that NOMAD discovers it will create an entry
+in the database that users can search, view, and download. NOMAD will associate all files
+in the same directory as files that also belong to that entry. Parsers
+might also read information from these auxillary files. This way you can add more files
+to an entry, even if the respective parser/code might not directly support it.
 
-you can browse it at
+For octopus please provide at least the files from this table if applicable to your
+calculations (remember that you can provide more files if you want):
 
-    https://gitlab.mpcdf.mpg.de/nomad-lab/parser-octopus
+|Input Filename| Description|
+|--- | --- |
+|`<text_file>` | **Mainfile:** a plain text file w/arbitrary name|
+|`exec/` | Subdir for runtime information |
+|`exec/parser.log` | Input variables (user-defined & default values) |
+|`inp`| input file|
+|`parse.log`| **Warining** : probably obsolete|
+|`restart/`| Data to restart a calculation, e.g., `restart/gs/` is for ground-state|
+|`static/` | Subdir to report static part of a calculation|
+|`static/eigenvalues`| |
+|`static/info` | General info on static part|
 
-It relies on having the nomad-meta-info and the python common repositories one level higher.
-The simplest way to have this is to check out nomad-lab-base recursively:
 
-    git clone --recursive git@gitlab.mpcdf.mpg.de:nomad-lab/nomad-lab-base.git
+To create an upload with all calculations in a directory structure:
 
-then this will be in parsers/octopus.
+```
+zip -r <upload-file>.zip <directory>/*
+```
+
+Go to the [NOMAD upload page](https://nomad-lab.eu/prod/rae/gui/uploads) to upload files
+or find instructions about how to upload files from the command line.
+
+## Using the parser
+
+You can use NOMAD's parsers and normalizers locally on your computer. You need to install
+NOMAD's pypi package:
+
+```
+pip install nomad-lab
+```
+
+To parse code input/output from the command line, you can use NOMAD's command line
+interface (CLI) and print the processing results output to stdout:
+
+```
+nomad parse --show-archive <path-to-file>
+```
+
+To parse a file in Python, you can program something like this:
+```python
+import sys
+from nomad.cli.parse import parse, normalize_all
+
+# match and run the parser
+backend = parse(sys.argv[1])
+# run all normalizers
+normalize_all(backend)
+
+# get the 'main section' section_run as a metainfo object
+section_run = backend.resource.contents[0].section_run[0]
+
+# get the same data as JSON serializable Python dict
+python_dict = section_run.m_to_dict()
+```
+
+## Developing the parser
+
+Also install NOMAD's pypi package:
+
+```
+pip install nomad-lab
+```
+
+Clone the parser project and install it in development mode:
+
+```
+git clone https://gitlab.mpcdf.mpg.de/nomad-lab/parser-octopus parser-octopus
+pip install -e parser-octopus
+```
+
+Running the parser now, will use the parser's Python code from the clone project.

metadata.yml

+code-label: Octopus
+code-label-style: 'Capitals: O'
+code-url: https://octopus-code.org/
+parser-dir-name: dependencies/parsers/octopus/
+parser-git-url: https://gitlab.mpcdf.mpg.de/nomad-lab/parser-octopus
+parser-specific: ''
+table-of-files: |
+  |Input Filename| Description|
+  |--- | --- |
+  |`<text_file>` | **Mainfile:** a plain text file w/arbitrary name|
+  |`exec/` | Subdir for runtime information |
+  |`exec/parser.log` | Input variables (user-defined & default values) |
+  |`inp`| input file|
+  |`parse.log`| **Warining** : probably obsolete|
+  |`restart/`| Data to restart a calculation, e.g., `restart/gs/` is for ground-state|
+  |`static/` | Subdir to report static part of a calculation|
+  |`static/eigenvalues`| |
+  |`static/info` | General info on static part|