Update fortran compiler version for continuous build (#260)

.github/workflows/build.yml

@@ -18,10 +18,10 @@ jobs:
       FC: ${{ matrix.fc }}
       CC: ${{ matrix.cc }}
       APT_PACKAGES: >-
-        intel-oneapi-compiler-fortran-2022.2.1
-        intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic-2022.2.1
-        intel-oneapi-mkl-2022.2.1
-        intel-oneapi-mkl-devel-2022.2.1
+        intel-oneapi-compiler-fortran-2023.1.0
+        intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic-2023.1.0
+        intel-oneapi-mkl-2023.1.0
+        intel-oneapi-mkl-devel-2023.1.0
 #      APT_PACKAGES: >-
 #        intel-oneapi-compiler-fortran
 #        intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic

README.md

@@ -8,7 +8,7 @@
 
 CREST (originally 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
-a variety capabilities for creation and analysis of structure ensembles.
+a variety of capabilities for creation and analysis of structure ensembles.
 
 <div align="center">
 <img src="./assets/newtoc.png" alt="CREST" width="750">
@@ -22,16 +22,20 @@ a variety 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/>.
+The CREST documentation with installation instructions and application examples is hosted at: <br>
+<div align="center">
+
+[**https://crest-lab.github.io/crest-docs/**](https://crest-lab.github.io/crest-docs/)
 
+</div>
 
 ## Installation quick guide
 
 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!**
 
 There are multiple possible ways of installing CREST. 
-For building the program from source we recommend the Intel `ifort` and `icc` compilers (tested with the 2021 version).
+For building the program from source we recommend the Intel `ifort` and `icc` compilers (the [continuous release build](https://github.com/crest-lab/crest/releases/tag/latest) uses the 2023.1.0 version of these compilers).
 
 Detailed build instructions can be found at <https://crest-lab.github.io/crest-docs/page/installation>.