New module: modelcraft/2.2.3

MX/modelcraft/README.md

+# Modelcraft
+
+Modelcraft is based on central conda environments.
+
+## Adding New Versions
+
+To add a new version, first create the conda environment, as described in
+../../Programming/anaconda/2019.07/conda-env-defs/modelcraft/.
+
+Next, update files/variants with the new version and run `./build <VERSION>` to
+install the modulefile
+

MX/modelcraft/build

+#!/usr/bin/env modbuild
+
+pbuild::add_to_group 'MX'
+pbuild::prep() {
+    :
+}
+
+pbuild::configure() {
+    :
+}
+
+pbuild::compile() {
+    :
+}
+
+pbuild::install() {
+    :
+}
+

MX/modelcraft/files/variants

+modelcraft/2.2.3	unstable	anaconda/2019.07 ccp4/7.1
+

MX/modelcraft/modulefile

+#%Module
+
+module-whatis	        "An automated model building pipeline for X-ray crystallography and cryo-EM"
+module-url		"https://paulsbond.co.uk/modelcraft/"
+module-license	        "LGPL 2.1"
+module-maintainer	"Spencer Bliven <spencer.bliven@psi.ch>"
+
+module-help	"
+ModelCraft is an automated model building pipeline for X-ray crystallography
+and cryo-EM.
+
+It contains the commands `modelcraft`, `modelcraft-contents` and
+`modelcraft-copies`.
+"
+
+prepend-path PATH $::env(ANACONDA_DIR)/conda/envs/modelcraft-${V_PKG}/bin
+

Programming/anaconda/2019.07/conda-env-defs/modelcraft/README.md

+# INSTALLATION
+
+IMPORTANT! DON'T INSTALL WITH AURISTOR. Use an OpenAFS system (e.g. pmod6)
+
+```
+module purge
+module load anaconda
+export TMPDIR=/opt/tmp/$USER
+export XDG_CACHE_HOME=/opt/tmp/$USER/.cache
+CONDA_COPY_ALWAYS=1 conda env create -f modelcraft.yml
+conda activate modelcraft
+```
+
+The alternate TMPDIR is required on pmod6 because /tmp is too small for pip to expand all wheel files.
+

Programming/anaconda/2019.07/conda-env-defs/modelcraft/modelcraft.yml

+name: modelcraft-2.2.3
+channels:
+  - defaults
+dependencies:
+  - python = 3.7
+  - numpy
+  - pandas
+  - requests
+  - scipy
+  - pip
+  - pip:
+    - modelcraft==2.2.3