add/update spack packages for several BioBBs and their dependencies

packages/simpletraj/package.py

+from spack import *
+
+class Simpletraj(PythonPackage):
+    """Lightweight coordinate-only trajectory reader based on code from GROMACS, MDAnalysis and VMD."""
+
+    # Homepage and download url
+    homepage = "https://github.com/arose/simpletraj"
+    git = 'https://github.com/arose/simpletraj.git'
+
+    # Set the gitlab accounts of this package maintainers
+    maintainers = ['dbeltran']
+
+    # Versions
+    version('0.3', branch='master')
+
+    # Dependencies
+    depends_on('python@3.8:', type=('build', 'run'))
+    depends_on('py-setuptools')
+    depends_on('py-numpy')

spack.yaml

@@ -49,8 +49,16 @@ spack:
     - py-snudda@1.4.0
     - py-pyunicore@0.14.1
     - py-neuror@1.4.2
-    - biobb-common@3.8.1
-    - biobb-gromacs@3.8.1
+    - biobb-analysis@4.0.1
+    - biobb-chemistry@4.0.0
+    - biobb-common@4.0.0
+    - biobb-gromacs@4.0.0
+    - biobb-io@4.0.0
+    - biobb-model@4.0.0
+    - biobb-structure-checking@3.12.1
+    - biobb-structure-utils@4.0.0
+    - nglview@3.0.4
+    - simpletraj@0.3
     - apbs@3.4.0
     - py-pdb2pqr@3.5.2
     - sda@7.3.3d