Coverage for eminus/version.py: 86.96%

1# SPDX-FileCopyrightText: 2021 The eminus developers 

2# SPDX-License-Identifier: Apache-2.0 

3"""Package version number and version info function.""" 

4 

5import importlib 

6import platform 

7import sys 

8 

9__version__ = "3.0.0" 

10#: eminus ASCII logo. 

11LOGO = (" ___ _____ _ ___ _ _ ___ \n" 

12 "| -_| | | | | |_ -|\n" 

13 "|___|_|_|_|_|_|_|___|___|\n") # fmt: skip 

14 

15 

16def info(): 

17 """Print version numbers and availability of packages.""" 

18 dependencies = ("numpy", "scipy") 

19 extras = ("torch", "pyscf", "dftd3", "h5py", "plotly", "nglview") 

20 dev = ("matplotlib", "notebook", "pylibxc", "pytest", "sphinx", "furo") 

21 

22 sys.stdout.write(LOGO) 

23 sys.stdout.write( 

24 "\nhttps://arxiv.org/abs/2410.19438\n" 

25 "\n--- Platform infos ---" 

26 f"\nPlatform : {platform.system()} {platform.machine()}" 

27 f"\nRelease : {platform.release()} {platform.version()}" 

28 "\n\n--- Version infos ---" 

29 f"\npython : {sys.version.split()[0]}" 

30 f"\neminus : {__version__}\n" 

31 ) 

32 for pkg in dependencies + extras + dev: 

33 try: 

34 module = importlib.import_module(pkg) 

35 try: 

36 sys.stdout.write(f"{pkg:<11}: {module.__version__}\n") 

37 except AttributeError: 

38 # pylibxc does not use the standard version identifier 

39 sys.stdout.write(f"{pkg:<11}: {module.version.__version__}\n") 

40 except ModuleNotFoundError: # noqa: PERF203 

41 if pkg in dependencies: 

42 sys.stdout.write(f"{pkg:<11}: Dependency not installed\n") 

43 elif pkg in extras: 

44 sys.stdout.write(f"{pkg:<11}: Extra not installed\n")