Skip to content

Commit

Permalink
Return numpy requirement to 1.16.4
Browse files Browse the repository at this point in the history
  • Loading branch information
Tseplyaev committed Jan 31, 2020
1 parent 4f411b4 commit 671865d
Show file tree
Hide file tree
Showing 2 changed files with 10 additions and 10 deletions.
18 changes: 9 additions & 9 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -28,12 +28,12 @@ See the license file.
### How to cite:
If you use this package please consider citing:
```
J. Broeder, D. Wortmann, and S. Blügel,
Using the AiiDA-FLEUR package for all-electron ab initio electronic structure
data generation and processing in materials science,
J. Broeder, D. Wortmann, and S. Blügel,
Using the AiiDA-FLEUR package for all-electron ab initio electronic structure
data generation and processing in materials science,
In Extreme Data Workshop 2018 Proceedings, 2019, vol 40, p 43-48
```


### Comments/Disclaimer:

Expand Down Expand Up @@ -91,7 +91,7 @@ merge_parameter.py | Methods to handle parameterData nodes, i.e merge them. Whic
xml_util.py | All xml functions that are used, by parsers and other tools are in here. Some are 'general' some a very specific to Fleur.
read_cif.py | This can be used as stand-alone to create StructureData nodes from .cif files from an directory tree.

Utility and tools, which are independend of AiiDA are moved to the [masci-tools](https://github.com/JuDFTteam/masci-tools) (material science tools) repository,
Utility and tools, which are independend of AiiDA are moved to the [masci-tools](https://github.com/JuDFTteam/masci-tools) (material science tools) repository,
which is a dependency of aiida-fleur.

## Installation Instructions <a name="Installation"></a>
Expand Down Expand Up @@ -141,7 +141,7 @@ Requirements are listed in 'setup_requirements.txt' and setup.json.

most important are:

* aiida_core >= 1.0.0
* aiida_core >= 1.0.1
* lxml
* ase
* masci-tools
Expand All @@ -151,8 +151,8 @@ Mainly AiiDA:
1. Download from [www.aiida.net -> Download](www.aiida.net)
2. install and setup -> [aiida's documentation](http://aiida-core.readthedocs.org/en/stable)

Easy plotting and other useful routines that do not depend on aiida_core are part of
the [masci-tools](https://github.com/JuDFTteam/masci-tools) (material science tools) repository.
Easy plotting and other useful routines that do not depend on aiida_core are part of
the [masci-tools](https://github.com/JuDFTteam/masci-tools) (material science tools) repository.

For easy ploting we recommend using 'plot_methods' from masci-tools, which are also deployed by the 'plot_fleur(<node(s)>)' function.

Expand All @@ -165,7 +165,7 @@ Usage examples are shown in 'examples'.

## Acknowledgements

Besides the Forschungszentrum Juelich, this work is supported by the [MaX
Besides the Forschungszentrum Juelich, this work is supported by the [MaX
European Centre of Excellence](<http://www.max-centre.eu/>) funded by the Horizon 2020 EINFRA-5 program,
Grant No. 676598.

Expand Down
2 changes: 1 addition & 1 deletion setup.json
Original file line number Diff line number Diff line change
Expand Up @@ -32,7 +32,7 @@
"pytest-cov >= 2.5.0",
"pytest >= 2.9",
"pgtest",
"numpy>=1.17.0",
"numpy>=1.16.4",
"sympy",
"masci-tools",
"future",
Expand Down

0 comments on commit 671865d

Please sign in to comment.