diff --git a/.github/workflows/master.yml b/.github/workflows/master.yml deleted file mode 100644 index 808f7cc..0000000 --- a/.github/workflows/master.yml +++ /dev/null @@ -1,36 +0,0 @@ -name: Python testing - -on: - push: - branches: - - '**' - pull_request: - -jobs: - tests: - runs-on: "ubuntu-latest" - name: Testing - defaults: - run: - shell: bash -l {0} - steps: - - uses: actions/checkout@v4 - name: Checkout repository - - - name: Setup miniconda - uses: conda-incubator/setup-miniconda@v3 - with: - auto-update-conda: true - miniforge-variant: Mambaforge - channels: conda-forge - python-version: 3.9 - activate-environment: pyps - auto-activate-base: false - environment-file: ci-environment.yml - use-mamba: true - - - name: Lint with flake8 - run: flake8 . --exit-zero --max-complexity=20 --max-line-length=127 --ignore=E501,W503,C901 - - - name: Test with pytest - run: pytest -v \ No newline at end of file diff --git a/.github/workflows/testing.yml b/.github/workflows/testing.yml new file mode 100644 index 0000000..ec871e5 --- /dev/null +++ b/.github/workflows/testing.yml @@ -0,0 +1,37 @@ +name: Python testing + +on: + push: + branches: + - '**' + pull_request: + +jobs: + build: + name: Testing on ${{matrix.os}} + runs-on: ${{matrix.os}} + strategy: + matrix: + os: [ubuntu-latest, macos-latest, windows-latest] + python-version: ["3.10", "3.11", "3.12"] + + steps: + - name: Checkout repository + uses: actions/checkout@v4 + with: + # setuptools_scm requires a non-shallow clone of the repository + fetch-depth: 0 + + - name: Set up Python ${{ matrix.python-version }} + uses: actions/setup-python@v5 + with: + python-version: ${{ matrix.python-version }} + + - name: Install Python package + run: | + python -m pip install pytest + python -m pip install . + + - name: Run Python tests + run: | + python -m pytest diff --git a/CHANGELOG.md b/CHANGELOG.md index d6a4c9c..8517fe7 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,9 +1,14 @@ # Changelog All notable pypsbuilder changes. +## [2.5.0] - 2024-12-13 +### Fixed + - fix for coe-q + ## [2.4.2] - 2024-04-23 ### Fixed - another fix of and-ky-sill triple point linking + ## [2.4.1] - 2024-03-07 ### Fixed - fixed and-ky-sill triple point uniline suggestions @@ -59,7 +64,7 @@ All notable pypsbuilder changes. - latest THERMOCALC 3.50 compatibility ### Added -- isopleths quadratic surface fit method added +- isopleths quadratic surface fit method added - isopleths figure and savefig options added ## [2.2.2] - 2021-01-25 diff --git a/docs/conf.py b/docs/conf.py index 9b37ba9..fe3c3a4 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -75,9 +75,9 @@ # built documents. # # The short X.Y version. -version = "2.4" +version = "2.5" # The full version, including alpha/beta/rc tags. -release = "2.4.2" +release = "2.5.0" # The language for content autogenerated by Sphinx. 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index 0000000..5d77604 --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,50 @@ +[tool.poetry] +name = "pypsbuilder" +version = "2.5.0" +description = "THERMOCALC front-end for constructing and analyzing PT pseudosections" +authors = ["Ondrej Lexa "] +readme = "README.md" + +[tool.poetry.dependencies] +python = "^3.9" +numpy = "^1.20" +matplotlib = "^3.6" +pyqt5 = "^5.15" +scipy = "^1.10" +networkx = "^3.2" +shapely = "^2.0" +tqdm = "^4.0" + +[tool.poetry.group.test.dependencies] +pytest = "^7.4" +black = "^24" + +[tool.poetry.scripts] +ptbuilder = "pypsbuilder.psbuilders:ptbuilder" +txbuilder = "pypsbuilder.psbuilders:txbuilder" +pxbuilder = "pypsbuilder.psbuilders:pxbuilder" +psshow = "pypsbuilder.psexplorer:ps_show" +psiso = "pypsbuilder.psexplorer:ps_iso" +psgrid = "pypsbuilder.psexplorer:ps_grid" +psdrawpd = "pypsbuilder.psexplorer:ps_drawpd" +tcinit = "pypsbuilder.tcinit:tcprojinit" + +[build-system] +requires = ["poetry-core"] +build-backend = "poetry.core.masonry.api" + +[tool.black] +line-length = 88 +include = '\.pyi?$' +exclude = ''' +/( + \.toml + |\.sh + |\.git + |\.ini +)/ +''' + +[[tool.poetry.source]] +name = "pypi-public" +url = "https://pypi.org/simple/" diff --git a/pypsbuilder/__init__.py b/pypsbuilder/__init__.py index fb29d64..9b6bc77 100644 --- a/pypsbuilder/__init__.py +++ b/pypsbuilder/__init__.py @@ -22,7 +22,7 @@ "get_tcapi", ) -__version__ = "2.4.2" +__version__ = "2.5.0" __author__ = "Ondrej Lexa" -__copyright__ = "© Ondrej Lexa 2024" +__copyright__ = "© Ondrej Lexa 2016-2024" __email__ = "lexa.ondrej@gmail.com" diff --git a/pypsbuilder/psbuilders.py b/pypsbuilder/psbuilders.py index f4d6dba..6658444 100755 --- a/pypsbuilder/psbuilders.py +++ b/pypsbuilder/psbuilders.py @@ -14,7 +14,7 @@ from datetime import datetime import itertools -from pkg_resources import resource_filename +import importlib.resources as ires from PyQt5 import QtCore, QtGui, QtWidgets from PyQt5.QtCore import QT_VERSION_STR from PyQt5.Qt import PYQT_VERSION_STR @@ -94,7 +94,7 @@ def __init__(self, parent=None): res = QtWidgets.QDesktopWidget().screenGeometry() self.resize(min(1280, res.width() - 10), min(720, res.height() - 10)) self.setWindowTitle(self.builder_name) - window_icon = resource_filename("pypsbuilder", app_icons[self.builder_name]) + window_icon = str(ires.files("pypsbuilder").joinpath(app_icons[self.builder_name])) self.setWindowIcon(QtGui.QIcon(window_icon)) self.__changed = False self.about_dialog = AboutDialog(self.builder_name, __version__, __copyright__) @@ -5097,7 +5097,7 @@ class TopologyGraph(QtWidgets.QDialog): def __init__(self, ps, parent=None): super(TopologyGraph, self).__init__(parent) self.setWindowTitle("Topology graph") - window_icon = resource_filename("pypsbuilder", "images/pypsbuilder.png") + window_icon = str(ires.files("pypsbuilder").joinpath("images/pypsbuilder.png")) self.setWindowIcon(QtGui.QIcon(window_icon)) self.setWindowFlags( QtCore.Qt.WindowMinMaxButtonsHint | QtCore.Qt.WindowCloseButtonHint diff --git a/pypsbuilder/psclasses.py b/pypsbuilder/psclasses.py index 6d91337..8b9cd02 100644 --- a/pypsbuilder/psclasses.py +++ b/pypsbuilder/psclasses.py @@ -4,6 +4,7 @@ outputs and storage of calculated invariant points and univariant lines. """ + # author: Ondrej Lexa # website: https://github.com/ondrolexa/pypsbuilder @@ -473,9 +474,11 @@ def from_block(cls, block, ptguess): phases = head.split()[1:] # fixed width parsing !!! valsf = [ - float(vals[6:][12 * i : 12 * (i + 1)].strip()) - if vals[6:][12 * i : 12 * (i + 1)].strip() != "" - else 0.0 + ( + float(vals[6:][12 * i : 12 * (i + 1)].strip()) + if vals[6:][12 * i : 12 * (i + 1)].strip() != "" + else 0.0 + ) for i in range(len(phases)) ] for phase, val in zip(phases, valsf): @@ -484,9 +487,11 @@ def from_block(cls, block, ptguess): head, vals = factor.split("\n") phases = head.split()[1:] valsf = [ - float(vals[6:][12 * i : 12 * (i + 1)].strip()) - if vals[6:][12 * i : 12 * (i + 1)].strip() != "" - else 0.0 + ( + float(vals[6:][12 * i : 12 * (i + 1)].strip()) + if vals[6:][12 * i : 12 * (i + 1)].strip() != "" + else 0.0 + ) for i in range(len(phases)) ] for phase, val in zip(phases, valsf): @@ -868,6 +873,8 @@ def splitme(edges): unilist.append(uni_id) if unilist: phases = set.intersection(*(self.unilines[id].phases for id in unilist)) + print(phases, unilist) + print("---") vd = [ phases.symmetric_difference(self.unilines[id].phases) == self.unilines[id].out @@ -934,6 +941,13 @@ def splitme(edges): phases = self.unilines[unilist[0]].phases.difference( self.unilines[unilist[0]].out ) + if frozenset(phases) in shapes: # switch polymorph + for pp in polymorphs: + if self.unilines[unilist[0]].out.issubset(pp): + phases = self.unilines[unilist[0]].phases.difference( + pp.difference(self.unilines[unilist[0]].out) + ) + break shapes[frozenset(phases)] = poly unilists[frozenset(phases)] = unilist elif frozenset(phases) in shapes: diff --git a/setup.cfg b/setup.cfg index 55bb7d1..2acf555 100644 --- a/setup.cfg +++ b/setup.cfg @@ -1,11 +1,13 @@ [bumpversion] -current_version = 2.4.2 +current_version = 2.5.0 commit = True tag = True tag_name = {new_version} [bumpversion:file:setup.py] +[bumpversion:file:pyproject.toml] + [bumpversion:file:docs/conf.py] [bumpversion:file:pypsbuilder/__init__.py] diff --git a/setup.py b/setup.py index a4fcfef..b41b8cf 100644 --- a/setup.py +++ b/setup.py @@ -15,7 +15,7 @@ setup( name="pypsbuilder", - version="2.4.2", + version="2.5.0", description="THERMOCALC front-end for constructing and analyzing PT pseudosections", long_description=readme + "\n\n" + changelog, long_description_content_type="text/markdown", @@ -23,7 +23,7 @@ author_email="lexa.ondrej@gmail.com", url="https://github.com/ondrolexa/pypsbuilder", license="MIT", - python_requires=">=3.8", + python_requires=">=3.9", packages=find_packages(), package_data={"pypsbuilder.images": ["*.png"]}, entry_points="""