Add more electronic structure and atomistic simulation packages (#205)

Author: awvwgk

_data/package_index.yml

@@ -606,6 +606,12 @@
   tags:
   version: none
 
+- name: Illustrate
+  github: ccsb-scripps/illustrate
+  description: Biomolecular Illustration Tool
+  categories: graphics
+  tags: pdb
+
 # --- Numerical libraries ---
 
 - name: OpenBLAS
@@ -1086,6 +1092,47 @@
   tags: quantum-chemistry computational-chemistry atomistic-simulations
   license: LGPL-3.0-or-later
 
+- name: eT
+  gitlab: eT-program/eT
+  description: electronic structure program with coupled cluster, multiscale and multilevel methods
+  categories: scientific
+  tags: electronic-structure coupled-cluster
+
+- name: tinker
+  github: TinkerTools/tinker
+  description: Software Tools for Molecular Design
+  categories: scientific
+  tags: molecular-modeling
+  license: custom
+  version: none
+
+- name: siesta
+  gitlab: siesta-project/siesta
+  description: A first-principles materials simulation code using DFT
+  categories: scientific
+  tags: electronic-structure density-functional-theory
+
+- name: Dalton
+  gitlab: dalton/dalton
+  description: Powerful molecular electronic structure program
+  categories: scientific
+  tags: electronic-structure relativistic
+  license: LGPL-2.1
+
+- name: LSDalton
+  gitlab: dalton/lsdalton
+  description: Linear scaling molecular electronic structure program
+  categories: scientific
+  tags: electronic-structure relativistic
+  license: LGPL-2.1
+
+- name: BigDFT
+  gitlab: l_sim/bigdft-suite
+  description: fast, precise, and flexible DFT code for ab-initio atomistic simulation
+  categories: scientific
+  tags: electronic-structure wavelets density-functional-theory
+  license: custom
+
 # --- Examples / demos / templates ---
 
 - name: Fortran 2018 examples