From b9a4691c5d04d637f7c2843697291b0657581cf8 Mon Sep 17 00:00:00 2001
From: "Benedikt J. Daurer" <bjdaurer@gmail.com>
Date: Wed, 12 Jun 2024 06:50:46 -0700
Subject: [PATCH] Added setup/installation instructions for NERSC

---
 scripts/install_ptypy_env_at_nersc.md | 47 +++++++++++++++++++++++++++
 scripts/ptypy_workhsop_setup.sh       | 10 ++++++
 2 files changed, 57 insertions(+)
 create mode 100644 scripts/install_ptypy_env_at_nersc.md
 create mode 100755 scripts/ptypy_workhsop_setup.sh

diff --git a/scripts/install_ptypy_env_at_nersc.md b/scripts/install_ptypy_env_at_nersc.md
new file mode 100644
index 0000000..8179c20
--- /dev/null
+++ b/scripts/install_ptypy_env_at_nersc.md
@@ -0,0 +1,47 @@
+First, clone the nersc conda env
+
+```
+conda create --prefix /global/common/software/ntrain7/ptypy_env --clone /global/common/software/nersc/pm-2022q3/sw/python/3.9-anaconda-2021.11
+```
+
+Activate the new conda env
+
+```
+conda activate /global/common/software/ntrain7/ptypy_env
+```
+
+Add additional packages that we need for ptypy with cupy
+
+```
+conda install -c conda-forge pyfftw cupy
+```
+
+Add additional packages that we need for ptypy with pycuda
+```
+conda install -c nvidia cuda-nvcc cuda-cudart-dev
+conda install -c conda-forge reikna pycuda
+```
+
+Add additional packages for cufft
+```
+conda install -c nvidia libcufft-dev libcufft-static
+conda install -c conda-forge cmake>=3.8.0 pybind11
+```
+
+Install Ptypy
+```
+git clone https://github.com/ptycho/ptypy.git
+pip install .
+
+```
+
+Install cufft
+```
+cd cufft
+pip install .
+```
+
+Add kernel to user settings
+```
+python -m ipykernel install --user --name ptypy_env --display-name PtyPy
+```
diff --git a/scripts/ptypy_workhsop_setup.sh b/scripts/ptypy_workhsop_setup.sh
new file mode 100755
index 0000000..e3a1a56
--- /dev/null
+++ b/scripts/ptypy_workhsop_setup.sh
@@ -0,0 +1,10 @@
+# Last time we used this script: /global/common/software/ntrain3/ptypy_workshop_setup.sh
+# This script should be copied into /global/common/software/ntrain7/
+module load conda
+conda activate /global/common/software/ntrain7/ptypy_env
+#conda activate $HOME/ptypy_env
+python -m ipykernel install --user --name ptypy_env --display-name PtyPy
+
+# Clone tutorials and create link to data
+git clone https://github.com/ptycho/tutorials.git $HOME/tutorials
+ln -s /global/cfs/cdirs/ntrain7/ptypy_workshop $HOME/tutorials/data