From 5de289bbb459c19996603e4cc30dc0ff0d0e1dd9 Mon Sep 17 00:00:00 2001 From: srmnitc Date: Mon, 16 Feb 2026 14:36:50 +0100 Subject: [PATCH 1/2] fix minor bug in pressyre --- calphy/input.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/calphy/input.py b/calphy/input.py index 9b4ea48..ae4dfca 100644 --- a/calphy/input.py +++ b/calphy/input.py @@ -812,7 +812,10 @@ def create_identifier(self): elif np.isscalar(self.pressure): ps = "%d" % (int(self.pressure)) else: - ps = "%d" % (int(self.pressure[0])) + if isinstance(self.pressure[0], list): + ps = "%d" % (int(self.pressure[0][0])) + else: + ps = "%d" % (int(self.pressure[0])) if hasattr(self, "_original_lattice") and self._original_lattice: l = self._original_lattice From 753188280c13a4efca50210f71171843ef548df9 Mon Sep 17 00:00:00 2001 From: srmnitc Date: Mon, 16 Feb 2026 14:37:02 +0100 Subject: [PATCH 2/2] =?UTF-8?q?Bump=20version:=201.5.7=20=E2=86=92=201.5.8?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- .bumpversion.cfg | 2 +- calphy/__init__.py | 2 +- calphy/input.py | 2 +- setup.py | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/.bumpversion.cfg b/.bumpversion.cfg index e83ecab..d389d35 100644 --- a/.bumpversion.cfg +++ b/.bumpversion.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 1.5.7 +current_version = 1.5.8 commit = True tag = True diff --git a/calphy/__init__.py b/calphy/__init__.py index 3cd0df4..cbe815a 100644 --- a/calphy/__init__.py +++ b/calphy/__init__.py @@ -4,7 +4,7 @@ from calphy.alchemy import Alchemy from calphy.routines import MeltingTemp -__version__ = "1.5.7" +__version__ = "1.5.8" def addtest(a,b): return a+b diff --git a/calphy/input.py b/calphy/input.py index ae4dfca..de3737f 100644 --- a/calphy/input.py +++ b/calphy/input.py @@ -49,7 +49,7 @@ from ase.io import read, write import shutil -__version__ = "1.5.7" +__version__ = "1.5.8" def _check_equal(val): diff --git a/setup.py b/setup.py index 258accd..d24d1a4 100644 --- a/setup.py +++ b/setup.py @@ -53,7 +53,7 @@ packages=find_packages(include=['calphy', 'calphy.*']), test_suite='tests', url='https://github.com/ICAMS/calphy', - version='1.5.7', + version='1.5.8', zip_safe=False, entry_points={ 'console_scripts': [