diff --git a/README.md b/README.md
index cef301b..83ef71d 100644
--- a/README.md
+++ b/README.md
@@ -1,15 +1,16 @@
CREST
Conformer-Rotamer Ensemble Sampling Tool
-
+
[](https://github.com/crest-lab/crest/releases/latest)
+[](https://anaconda.org/conda-forge/crest)
[](http://dx.doi.org/10.1039/c9cp06869d)
[](https://doi.org/10.1063/5.0197592)
-[](https://www.gnu.org/licenses/lgpl-3.0)
-[](https://github.com/crest-lab/crest/releases)
+[](https://www.gnu.org/licenses/lgpl-3.0)
+[](https://crest-lab.github.io/crest-docs/)
-
+
CREST (abbreviated from ***C***onformer-***R***otamer ***E***nsemble ***S***ampling ***T***ool) is a program for the automated exploration of the low-energy molecular chemical space.
It functions as an OMP scheduler for calculations with efficient force-field and semiempirical quantum mechanical methods such as xTB, and provides
@@ -19,14 +20,14 @@ a variety of capabilities for creation and analysis of structure ensembles.
----
## Documentation
The CREST documentation with installation instructions and application examples is hosted at:
-[**https://crest-lab.github.io/crest-docs/**](https://crest-lab.github.io/crest-docs/)
+[](https://crest-lab.github.io/crest-docs/)
+
@@ -38,10 +39,14 @@ There are multiple possible ways of installing CREST. Detailed build instruction
> For any installation make sure that you have correctly installed and sourced the [`xtb`](https://github.com/grimme-lab/xtb) program before attempting any calculations with CREST.
> **While `xtb` is technically not needed for the primary runtypes of CREST versions >3.0 thanks to an integration of [`tblite`](https://github.com/tblite/tblite), some functionalities, like QCG, still require it!**
-### Precompiled binaries
+##
+
+### Option 1: Precompiled binaries
+[](https://github.com/crest-lab/crest/releases/latest)
+[](https://github.com/crest-lab/crest/releases)
The *statically linked* binaries can be found at the [release page](https://github.com/crest-lab/crest/releases) of this repository.
-The most recent program version is automatically build (both `meson`/`ifort` and `cmake`/`gnu`) from the main branch and can be found at the [**continous release page**](https://github.com/crest-lab/crest/releases/tag/latest), or directly download them here:
+The most recent program version is automatically build (both Meson/Intel and CMake/GNU) from the main branch and can be found at the [continous release page](https://github.com/crest-lab/crest/releases/tag/latest), or directly download them here:
[](https://github.com/crest-lab/crest/releases/download/latest/crest-gnu-12-ubuntu-latest.tar.xz)
[](https://github.com/crest-lab/crest/releases/download/latest/crest-intel-2023.1.0-ubuntu-latest.tar.xz)
@@ -56,7 +61,31 @@ tar -xf crest-intel-2023.1.0-ubuntu-latest.tar.xz
```
The program should be directly executable.
-### Tested builds
+##
+
+### Option 2: Conda
+[](https://anaconda.org/conda-forge/crest)
+[](https://anaconda.org/conda-forge/crest)
+
+A [conda-forge](https://github.com/conda-forge) feedstock is maintained at .
+
+Installing CREST from the `conda-forge` channel can be done via:
+
+```
+conda install conda-forge::crest
+```
+
+The conda-forge distribution is based on a *dynamically linked* CMake/GNU build.
+> [!WARNING]
+> When using OpenBLAS as shared library backend for the linear algebra in CREST, please set the system variable `export OPENBLAS_NUM_THREADS=1`, as there may be an ugly warning in the concurrent (nested) parallel code parts otherwise.
+
+
+##
+
+### Option 3: Compiling from source
+Tested builds
+
+
Working and tested builds of CREST (mostly on Ubuntu 20.04 LTS):
@@ -122,29 +151,6 @@ By default the `meson` build will create a **statically** linked binary.
-
-Conda build
-
-
-A [conda-forge](https://github.com/conda-forge) feedstock is maintained at .
-
-Installing CREST from the `conda-forge` channel can be achieved by adding `conda-forge` to your channels with:
-
-```
-conda config --add channels conda-forge
-conda config --set channel_priority strict
-```
-
-Once the `conda-forge` channel has been enabled, CREST can be installed with `conda`:
-
-```
-conda install crest
-```
-
-The confa-forge distribution is based on a CMake/`gfortran` build.
-
-
-
---
### Citations