Improve Dev documentation (#28)

* add better documentation Signed-off-by: Marcel Müller <[email protected]> * update README to avoid Inspecting 1328 files ................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................................ 1328 files inspected, no offenses detected errors Signed-off-by: Marcel Müller <[email protected]> --------- Signed-off-by: Marcel Müller <[email protected]>
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diff --git a/README.md b/README.md
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-# Brew formulas for xtb and related QC programs
+# Brew formulas for Grimme Lab software and related libraries
 
-This repository provides package build instructions for [xtb](https://github.com/grimme-lab/xtb) compatible with the [Homebrew toolchain](https://brew.sh).
+## Using grimme-lab/qc
 
-You can install *xtb* by tapping this repository
+This repository provides package build instructions for **Grimme Lab** and associated software compatible with the [Homebrew toolchain](https://brew.sh).
 
-```brew tap grimme-lab/qc```
+You can install, e.g., *xtb* by tapping this repository
 
+```brew tap grimme-lab/qc```\
 ```brew install xtb```
 
 Available programs are
 
-- [xtb](https://github.com/grimme-lab/xtb):
-  Semiemprical extended tight-binding program package
-- [crest](https://github.com/grimme-lab/crest):
-  Conformer-rotamer ensemble search tool
-- [dftd4](https://github.com/dftd4/dftd4):
-  Generally applicable, charge-dependent London-dispersion correction
-- [s-dftd3](https://github.com/awvwgk/simple-dftd3):
-  Simple reimplementation of the D3 dispersion correction
-- [gcp](https://github.com/grimme-lab/gcp):
-  Geometrical counter-poise correction
+- **Grimmme Lab Software:**
+  - [xtb](https://github.com/grimme-lab/xtb):
+    Semiemprical extended tight-binding program package
+  - [dftd4](https://github.com/dftd4/dftd4):
+    Generally applicable, charge-dependent London-dispersion correction
+  - [s-dftd3](https://github.com/dftd3/simple-dftd3):
+    Simple reimplementation of the D3 dispersion correction
+  - [gcp](https://github.com/grimme-lab/gcp):
+    Geometrical counter-poise correction
+  - [mctc-lib](https://github.com/grimme-lab/mctc-lib)
+    Modular computation tool chain library
+- **Associated Software:**
+  - [crest](https://github.com/crest-lab/crest):
+    Conformer-rotamer ensemble search tool
+- **Fortran Language Community:**
+  - [mstore](https://github.com/grimme-lab/mstore):
+    Molecular structure storage for testing purposes
+  - [test-drive](https://github.com/fortran-lang/test-drive)
+    Simple Fortran testing framework
+  - [toml-f](https://github.com/toml-f/toml-f)
+    TOML parser implementation for data serialization and deserialization in Fortran
+
+## Developer Notes
+
+### How to update the formulae
+
+1. Switch to a new branch on your fork of the repository
+2. Update the formulae in the `Formula` directory (e.g., `mctc-lib.rb`), keeping the following style:
+
+```ruby
+url "https://github.com/grimme-lab/mctc-lib/archive/refs/tags/v0.3.2.tar.gz"
+sha256 "b18b06f80e6274b353dd091c12b3a83217033ce0bd80471b54cf486cc60c0251"
+```
+The `sha256` hash can be obtained by running
+```sh
+curl -sL "https://github.com/grimme-lab/mctc-lib/archive/refs/tags/v0.3.2.tar.gz" | shasum -a 256 | cut -d " " -f 1
+```
+
+3. Commit the changes and push to your fork. Within the same branch (PR), **DO NOT** change anything else.
+4. Create a pull request to the main repository. **DO NOT** put the `pr-pull` label on it yet.
+5. Make sure that the tests `.github/workflows/tests.yml` pass and that the bottles are uploaded correctly for each platform.
+   - You can check the `artifacts` manually by downloading them from the GitHub Actions summary of your PR (scroll down).
+6. After all tests have passed and the `artifacts` are available, request a review from the repository maintainers.
+7. After approval, label the PR with the `pr-pull` label to trigger the merge action (`.github/workflows/publish.yml`).
+8. The PR should look roughly as follows:
+
+    <img src="assets/sample-pr.png" width="400" alt="Exemplary pull request." />
+
+There is a blog entry on how the process should look like [here](https://brew.sh/2020/11/18/homebrew-tap-with-bottles-uploaded-to-github-releases/).
 
 ## License
 

diff --git a/assets/sample-pr.png b/assets/sample-pr.png