add pymol folder

.gitignore

@@ -0,0 +1 @@
+pbuild.log

pymol/build

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+#!/usr/bin/env modbuild
+
+pbuild::add_to_group 'MX'
+
+
+pbuild::prep() {
+    git clone https://github.com/schrodinger/pymol-open-source.git
+}
+
+pbuild::configure() {
+    git clone -b 0.9.9.8 https://github.com/g-truc/glm.git  $SRC_DIR/glm/
+    cp -r $SRC_DIR/glm/glm/ $SRC_DIR/pymol-open-source/include/
+}
+
+pbuild::compile() {
+    cd "$SRC_DIR/pymol-open-source/"
+    python3.8 setup.py install --prefix "$PREFIX/" --no-vmd-plugins --use-msgpackc=no
+}
+
+pbuild::install(){
+:
+#mkdir -p "$PREFIX/bin"
+#cp "$SRC_DIR/bin/pymol" "$PREFIX/bin/pymol"
+}
+

pymol/files/config.yaml

@@ -0,0 +1,10 @@
+format: 1
+pymol:
+  defaults:
+    group: MX
+    overlay: base
+    relstage: unstable
+  versions:
+    2.5.0:
+      config:
+        build_requires: ["psi-python38/2020.11", "gcc/9.3.0", "cuda/11.0.3"]

pymol/modulefile

@@ -0,0 +1,10 @@
+#%Module1.0
+
+module-whatis           "PyMol - molecular visualization system"
+module-url              "https://github.com/schrodinger/pymol-open-source"
+module-license          "-"
+module-maintainer       "Greta Assmann <greta.assmann@psi.ch>"
+
+module-help     "https://pymol.org/2/"
+
+