From 5205abae4a871095794aa6ffa41f2d467a36a16b Mon Sep 17 00:00:00 2001 From: Magnar Bjorgve Date: Sun, 18 Feb 2024 16:44:10 +0100 Subject: [PATCH] Update webpage (#6) * Update webpage * Update image tag --------- Co-authored-by: github-actions[bot] --- binder/Dockerfile | 2 +- content/conf.py | 4 +- content/img/hylleraas-logo.png | Bin 33841 -> 0 bytes content/img/mrchem-logo.png | Bin 137007 -> 0 bytes content/index.rst | 12 +++++- content/setup.rst | 69 +++------------------------------ 6 files changed, 18 insertions(+), 69 deletions(-) delete mode 100644 content/img/hylleraas-logo.png delete mode 100644 content/img/mrchem-logo.png diff --git a/binder/Dockerfile b/binder/Dockerfile index fc24563..1a97c8c 100644 --- a/binder/Dockerfile +++ b/binder/Dockerfile @@ -1,2 +1,2 @@ ### DO NOT EDIT THIS FILE! This Is Automatically Generated And Will Be Overwritten ### -FROM ghcr.io/mrchemsoft/vampyr-coven:ec0227a8dcdc \ No newline at end of file +FROM ghcr.io/bjorgve/vampyr-coven:63a2115f8e3a \ No newline at end of file diff --git a/content/conf.py b/content/conf.py index 000bd7d..53e48a0 100644 --- a/content/conf.py +++ b/content/conf.py @@ -81,7 +81,7 @@ # a list of builtin themes. # html_theme = "sphinx_book_theme" -html_logo = "img/hylleraas-logo.png" +html_logo = "img/vampyr-logo.png" html_title = "" # project html_js_files = [ "https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js", @@ -102,4 +102,4 @@ "thebe": True, "notebook_interface": "jupyterlab", }, -} \ No newline at end of file +} diff --git a/content/img/hylleraas-logo.png b/content/img/hylleraas-logo.png deleted file mode 100644 index a2ea8fe142fd9b853bde0459b6a271fbe2a85250..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 33841 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z_iH9_>&d$Gul9|)DnPSaAENuX%fESLy3Z?EjzTUoyQOGdXN+lxV$);EhF~d4ehNkFeK%4hd$B zpfRewU)SdQ&j0%+{W7pDohu(6djHeL;m_1|DMMGTl(uKaK3ZeKHwt3 z<+Yyz>f7bYBCK@&uZiDpw>B1dr*-_kn$K${gm7#T5ZI8_m>Py7oq+0(cdR^|H}z?uIkCs!U*ty8vtC;fO|%5+{cPt5~N+;;IgT&fO(0 zu;JCcD?)gbL;*|8tp|*>ag|{X4G!OduDv@uN(qk=ZeTGb7Lle3FZwVTFXDi%tq%59 z!H|I$)ftKk30Ij;ufY}Tz&hkEFteBDXLaIHq6@4=kk0C8V;5^m j80|)5D>jB`_ -to run the Jupyter notebooks in the cloud, but some of the MRChem exercises are best -performed on a HPC cluster. +For online access, `Binder `_ allows you to run the Jupyter notebooks in the cloud without any local setup. -If you prefer to work locally, you will need to set up your Python environment correctly: -we recommend using the `Conda package and enviroment manager -`_, as it provides a convenient way to install -binary packages, including VAMPyR and MRChem, in an isolated, reproducible software -environment. +For local use, setting up your Python environment correctly is crucial. The `Conda package and environment manager `_ is recommended for installing binary packages, including VAMPyR, in an isolated and reproducible software environment. -Please refer to the respective GitHub repositories for different ways of installing: +For installation instructions, please refer to the VAMPyR GitHub repository: - `VAMPyR `_ -- `MRChem `_ - Install Miniconda ^^^^^^^^^^^^^^^^^ -Follow the official `Miniconda -`_ installation instructions -for your platform: - -- For Linux see https://docs.conda.io/en/latest/miniconda.html#linux-installers -- For macOS see https://docs.conda.io/en/latest/miniconda.html#macosx-installers -- For Windows see https://docs.conda.io/en/latest/miniconda.html#windows-installers - -For all platforms, make sure to select the **Python 3.8**, **64 bit** installer. - - -Cloning the vampyr coven repository -^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ -If you want to run the exercise notebooks locally on your laptop, then you can -clone our tutorial repository. We provide a conda environment -complete with all the things you need to run the notebooks. - -Clone the repostory with:: - - $ git clone https://github.com/MRChemSoft/vampyr-coven.git - -Then move into this repository:: - - $ cd vampyr-coven - -To create the environment, use the instructions in the next section. -Finally, launch a `Jupyter lab` instance with:: - - $ jupyter lab - -This should open up a new tab in your default browser. -The notebooks can be found in `content/notebooks`. - -Creating an environment and installing packages -^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ - -Once you have ``conda`` installed and correctly configured you can use the -:download:`environment.yml <../environment.yml>` file to install the -dependencies. First save it to your hard drive by clicking the link, and then -in a terminal (Anaconda Prompt on Windows) navigate to where you saved the file -and type:: - - $ conda env create -f environment.yml - - -You then need to activate the new environment by:: - - $ conda activate vampyr-coven - - -Now you should have VAMPyR, MRChem, Python, JupyterLab and a few other packages installed! +To install Miniconda, follow the official `Miniconda installation instructions `_.