From 2ef433c0123348b83a2cd87fb58ae77eeb92b7f9 Mon Sep 17 00:00:00 2001 From: Mingjian Wen Date: Thu, 13 Feb 2020 21:49:14 -0800 Subject: [PATCH] Update version and change log for v0.1.5 --- docs/source/changelog.rst | 12 +++++++++++- kliff/__init__.py | 3 ++- utils/update_version.py | 20 ++++++++++---------- 3 files changed, 23 insertions(+), 12 deletions(-) diff --git a/docs/source/changelog.rst b/docs/source/changelog.rst index 61ae3460..00f5d305 100644 --- a/docs/source/changelog.rst +++ b/docs/source/changelog.rst @@ -4,7 +4,17 @@ Change Log ========== -v0.1.4 (2019/8/34) +v0.1.5 (2020/2/13) +================== + +- add neighborlist utility, making NN model independent on kimpy + +- add calculator to deal with multiple species for NN model + +- update dropout layer to be compatible with the pytorch 1.3 + + +v0.1.4 (2019/8/24) ================== - add support for the geodesic Levenberg-Marquardt minimization algorithm diff --git a/kliff/__init__.py b/kliff/__init__.py index beff4f25..edf6c1ce 100644 --- a/kliff/__init__.py +++ b/kliff/__init__.py @@ -1,5 +1,6 @@ from .log import Logger -__version__ = "0.1.4" + +__version__ = "0.1.5" logger = Logger(level="info") diff --git a/utils/update_version.py b/utils/update_version.py index cc573273..fe63199f 100644 --- a/utils/update_version.py +++ b/utils/update_version.py @@ -3,26 +3,26 @@ def update_version(version, path, key, in_quotes=False, extra_space=False): """Update version given in `key=version` structure.""" - with open(path, 'r') as fin: + with open(path, "r") as fin: lines = fin.readlines() - with open(path, 'w') as fout: + with open(path, "w") as fout: for line in lines: if key in line: - idx = line.index('=') + idx = line.index("=") line = line[: idx + 1] if extra_space: - line += ' ' + line += " " if in_quotes: v = "'{}'".format(version) else: - v = '{}'.format(version) - fout.write(line + v + '\n') + v = "{}".format(version) + fout.write(line + v + "\n") else: fout.write(line) -if __name__ == '__main__': - kliff_v = '0.1.4' +if __name__ == "__main__": + kliff_v = "0.1.5" kliff_dir = os.path.dirname(os.path.dirname(os.path.abspath(__file__))) - path = os.path.join(kliff_dir, 'kliff', '__init__.py') - update_version(kliff_v, path, '__version__', True, True) + path = os.path.join(kliff_dir, "kliff", "__init__.py") + update_version(kliff_v, path, "__version__", True, True)