diff --git a/README.rst b/README.rst index 5bee0b5..a22acac 100644 --- a/README.rst +++ b/README.rst @@ -46,8 +46,6 @@ the Pyramidalization Angle*, *Under review* `link to the preprint on HAL `_. - - Installation ============ @@ -134,10 +132,6 @@ In order to install in developper mode, first create an environment If you want to build the documentation you also need to install sphinx. -:: - - pip install git+git://github.com/gVallverdu/pychemcurv.git - Licence and contact =================== diff --git a/binder/README.md b/binder/README.md new file mode 100644 index 0000000..3e34edd --- /dev/null +++ b/binder/README.md @@ -0,0 +1,10 @@ +# binder + +This folder contains config files to setup the docker image on +[mybinder.org](https://mybinder.org/). + +`requirements.txt` +: requirements to run pychemcurv on binder + +`postBuild` +: post build commands to enable jupyter extension \ No newline at end of file diff --git a/postBuild b/binder/postBuild similarity index 100% rename from postBuild rename to binder/postBuild diff --git a/binder/requirements.txt b/binder/requirements.txt new file mode 100644 index 0000000..7a100c3 --- /dev/null +++ b/binder/requirements.txt @@ -0,0 +1,8 @@ +numpy>=1.18.1 +jupyter>=1.0.0 +matplotlib>=3.1.3 +pandas>=1.0.3 +pymatgen>=2020.4.29 +ase>=3.19.1 +nglview>=2.7.5 +git+https://github.com/gVallverdu/pychemcurv.git@releases/tag/2020.6.3#egg=pychemcurv