From e2b47b0f9bfecb9c2d4ff435c51531a4ec407fe5 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 11:20:32 +0100 Subject: [PATCH 01/41] Debugging git workflow to replace travis --- .github/workflows/main.yml | 37 +++++++++++++++++++++++++++++++++++++ 1 file changed, 37 insertions(+) create mode 100644 .github/workflows/main.yml diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml new file mode 100644 index 00000000..791895f3 --- /dev/null +++ b/.github/workflows/main.yml @@ -0,0 +1,37 @@ +name: main + + +# Automatically cancel a previous run. +concurrency: + group: ${{ github.head_ref || github.run_id }} + cancel-in-progress: true + + +on: + push: + branches: + - workflow # For debugging the workflow.. + pull_request: + - '*' + +jobs: + + run-tests: + name: Run tests for ${{ matrix.os }} on ${{ matrix.python-version }} + runs-on: ${{ matrix.os }} + + + strategy: + fail-fast: false + matrix: + os: ['ubuntu-latest'] + python-version: ['3.8', '3.9', '3.10'] + + + steps: + - uses: actions/checkout@v3 + - name: Install OMpy + run: pip install -e . + - name: Run pytest + run: pytest --cov-report=xml --cov=./ + #- name: Upload coverage report. From 00613a7f72fa5bb760ebe20c5eedfe47ec1dcf1d Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 11:25:45 +0100 Subject: [PATCH 02/41] Updates to workflow --- .github/workflows/main.yml | 21 ++++++++++++++++++++- 1 file changed, 20 insertions(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 791895f3..5b3a8cbf 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -30,8 +30,27 @@ jobs: steps: - uses: actions/checkout@v3 + - name: Install python + uses: actions/setup-python@v4 + with: + python-version: ${{ matrix.python-version }} + + - name: Install build essentials + run: sudo apt install gfortran cmake liblapack-dev libblas-dev libomp-dev libopenmpi-dev + - name: Download and install multinest + run: | + git clone https://github.com/JohannesBuchner/MultiNest + cd MultiNest/build + cmake .. + make + - name: Install dependencies + run: | + python -m pip install --upgrade pip + pip install pytest - name: Install OMpy run: pip install -e . - - name: Run pytest + - name: Run tests run: pytest --cov-report=xml --cov=./ + env: + LD_LIBRARY_PATH: /home/runner/work/ompy/ompy/MultiNest/lib #- name: Upload coverage report. From 867794b131b20850f706d54dc56fca13700a32be Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 11:33:20 +0100 Subject: [PATCH 03/41] Debugging... --- .github/workflows/main.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 5b3a8cbf..73845dda 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -46,11 +46,11 @@ jobs: - name: Install dependencies run: | python -m pip install --upgrade pip - pip install pytest + pip install pytest pytest-cov - name: Install OMpy run: pip install -e . - name: Run tests - run: pytest --cov-report=xml --cov=./ + run: pytest --cov env: LD_LIBRARY_PATH: /home/runner/work/ompy/ompy/MultiNest/lib #- name: Upload coverage report. From 0ffe6edf0224a1e444454c515937d2fa14e63440 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 13:03:38 +0100 Subject: [PATCH 04/41] Fixed a small bug In the latest linux versions there seems to be an error where the array with size 1x1 is not converted into a float. We now explicitly convert to a float. The tests now passes. --- ompy/spinfunctions.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/ompy/spinfunctions.py b/ompy/spinfunctions.py index ad2c0b0d..66724fda 100644 --- a/ompy/spinfunctions.py +++ b/ompy/spinfunctions.py @@ -180,7 +180,7 @@ def gDisc_and_EB05(self, mass: int, NLDa: float, Eshift: float, Sn: float, sigma2_Sn = self.gEB05(mass, NLDa, Eshift, Ex=Sn) sigma2_EB05 = lambda Ex: self.gEB05(mass, NLDa, Eshift, Ex=Ex) # noqa x = [sigma2_disc[0], Sn] - y = [sigma2_disc[1], sigma2_EB05(Sn)] + y = [sigma2_disc[1], float(sigma2_EB05(Sn))] sigma2 = interp1d(x, y, bounds_error=False, fill_value=(sigma2_disc[1], sigma2_Sn)) From 471f964e2e85f6878390ebb973a026c1074f2de7 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 13:06:04 +0100 Subject: [PATCH 05/41] Added a macOS test as well --- .github/workflows/main.yml | 40 +++++++++++++++++++++++++++++++++++++- 1 file changed, 39 insertions(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 73845dda..8cd0fb36 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -16,7 +16,7 @@ on: jobs: - run-tests: + tests-ubuntu: name: Run tests for ${{ matrix.os }} on ${{ matrix.python-version }} runs-on: ${{ matrix.os }} @@ -54,3 +54,41 @@ jobs: env: LD_LIBRARY_PATH: /home/runner/work/ompy/ompy/MultiNest/lib #- name: Upload coverage report. + + tests-macos: + name: Run tests for ${{ matrix.os }} on ${{ matrix.python-version }} + runs-on: ${{ matrix.os }} + + + strategy: + fail-fast: false + matrix: + os: ['macos-latest'] + python-version: ['3.8', '3.9', '3.10'] + + + steps: + - uses: actions/checkout@v3 + - name: Install python + uses: actions/setup-python@v4 + with: + python-version: ${{ matrix.python-version }} + + - name: Install build essentials + run: brew install cmake gcc libomp gfortran + - name: Download and install multinest + run: | + git clone https://github.com/JohannesBuchner/MultiNest + cd MultiNest/build + cmake .. + make + - name: Install dependencies + run: | + python -m pip install --upgrade pip + pip install pytest pytest-cov + - name: Install OMpy + run: pip install -e . + - name: Run tests + run: pytest --cov + env: + LD_LIBRARY_PATH: /home/runner/work/ompy/ompy/MultiNest/lib From 36d4856eb67370a036222ab1ba4fdbd3534b7d25 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 13:09:24 +0100 Subject: [PATCH 06/41] Debugging --- .github/workflows/main.yml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 8cd0fb36..3a64601b 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -43,6 +43,8 @@ jobs: cd MultiNest/build cmake .. make + env: + FC: /usr/local/bin/gfortran-11 - name: Install dependencies run: | python -m pip install --upgrade pip @@ -89,6 +91,6 @@ jobs: - name: Install OMpy run: pip install -e . - name: Run tests - run: pytest --cov + run: pytest env: LD_LIBRARY_PATH: /home/runner/work/ompy/ompy/MultiNest/lib From 3347489675b46c704900cfd9d46b91d67259afb4 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 13:11:17 +0100 Subject: [PATCH 07/41] Slight error... --- .github/workflows/main.yml | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 3a64601b..74f97a82 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -43,8 +43,6 @@ jobs: cd MultiNest/build cmake .. make - env: - FC: /usr/local/bin/gfortran-11 - name: Install dependencies run: | python -m pip install --upgrade pip @@ -55,7 +53,8 @@ jobs: run: pytest --cov env: LD_LIBRARY_PATH: /home/runner/work/ompy/ompy/MultiNest/lib - #- name: Upload coverage report. + #- name: Upload coverage to Codecov + # uses: codecov/codecov-action@v3 tests-macos: name: Run tests for ${{ matrix.os }} on ${{ matrix.python-version }} @@ -84,6 +83,8 @@ jobs: cd MultiNest/build cmake .. make + env: + FC: /usr/local/bin/gfortran-11 - name: Install dependencies run: | python -m pip install --upgrade pip From e742de55eefc80240a5d934778b4f24faa9a9201 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 15:58:15 +0100 Subject: [PATCH 08/41] Updated workflow --- .github/workflows/main.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 74f97a82..7bad1df4 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -11,6 +11,7 @@ on: push: branches: - workflow # For debugging the workflow.. + - main pull_request: - '*' From 3f8c8dc92eecc1c740bd4f966f32069056db730a Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 15:59:09 +0100 Subject: [PATCH 09/41] Publish workflow Added a new workflow to publish to pypi. For now this will push to the test repository until we are ready to create official releases. --- .github/workflows/publish-to-pypi.yml | 45 +++++++++++++++++++++++++++ 1 file changed, 45 insertions(+) create mode 100644 .github/workflows/publish-to-pypi.yml diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml new file mode 100644 index 00000000..903d9404 --- /dev/null +++ b/.github/workflows/publish-to-pypi.yml @@ -0,0 +1,45 @@ +name: PyPI + +on: push + +jobs: + build-n-publish: + name: Build and publish Python 🐍 distributions 📦 to PyPI + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@master + + - name: Set up Python 3.10 + uses: actions/setup-python@v1 + with: + python-version: "3.10" + + - name: Install build essentials + run: sudo apt install gfortran cmake liblapack-dev libblas-dev libomp-dev libopenmpi-dev + - name: Download and install multinest + run: | + git clone https://github.com/JohannesBuchner/MultiNest + cd MultiNest/build + cmake .. + make + + - name: Install pypa/build + run: >- + python -m + pip install + build + --user + - name: Build a binary wheel and a source tarball + run: >- + python -m + build + --sdist + --wheel + --outdir dist/ + env: + ompy_OpenMP: False + - name: Publish distribution 📦 to PyPI + uses: pypa/gh-action-pypi-publish@release/v1 + with: + password: ${{ secrets.PYPI_API_TOKEN }} + repository_url: https://test.pypi.org/legacy/ \ No newline at end of file From c5d8bf92de023c21368d56a46bd3758a7e876089 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 16:00:25 +0100 Subject: [PATCH 10/41] Merging stats.cpp and erfinv.hpp I've merged the stats.cpp and erfinv.hpp as the code could easily live in the same file. --- src/stats.cpp | 81 ++++++++++++++++++++++++++++++++++++++++++++++++++- 1 file changed, 80 insertions(+), 1 deletion(-) diff --git a/src/stats.cpp b/src/stats.cpp index ab11f651..6f0c5beb 100644 --- a/src/stats.cpp +++ b/src/stats.cpp @@ -3,7 +3,86 @@ #include #include -#include "erfinv.hpp" +/******** Included 'external' code ********/ +/* + libit - Library for basic source and channel coding functions + Copyright (C) 2005-2005 Vivien Chappelier, Herve Jegou + + This library is free software; you can redistribute it and/or + modify it under the terms of the GNU General Public + License as published by the Free Software Foundation; either + version 3 of the License, or (at your option) any later version. + + This library is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public + License along with this library; if not, write to the Free + Software Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA. + */ +/* + Implementation of inverse error function taken from libit on + 3 nov. 2020. Redistributed with GPLv3. + */ + + +constexpr double erfinv_a3 = -0.140543331; +constexpr double erfinv_a2 = 0.914624893; +constexpr double erfinv_a1 = -1.645349621; +constexpr double erfinv_a0 = 0.886226899; + +constexpr double erfinv_b4 = 0.012229801; +constexpr double erfinv_b3 = -0.329097515; +constexpr double erfinv_b2 = 1.442710462; +constexpr double erfinv_b1 = -2.118377725; +constexpr double erfinv_b0 = 1; + +constexpr double erfinv_c3 = 1.641345311; +constexpr double erfinv_c2 = 3.429567803; +constexpr double erfinv_c1 = -1.62490649; +constexpr double erfinv_c0 = -1.970840454; + +constexpr double erfinv_d2 = 1.637067800; +constexpr double erfinv_d1 = 3.543889200; +constexpr double erfinv_d0 = 1; + +/* Compute the inverse error function */ +inline double erfinv(double x) +{ + + if ( x <= -1 ){ + return -INFINITY; + } else if ( x >= 1 ) { + return INFINITY; + } + + double x2, r, y; + double sign_x = ( x < 0 ) ? -1 : 1; + x = fabs(x); + + if ( x <= 0.7 ){ + + x2 = x * x; + r = x * (((erfinv_a3 * x2 + erfinv_a2) * x2 + erfinv_a1) * x2 + erfinv_a0); + r /= (((erfinv_b4 * x2 + erfinv_b3) * x2 + erfinv_b2) * x2 +erfinv_b1) * x2 + erfinv_b0; + } else { + y = sqrt(-log((1-x)/2.0)); + r = (((erfinv_c3 * y + erfinv_c2) * y + erfinv_c1) * y + erfinv_c0); + r /= ((erfinv_d2 * y + erfinv_d1) * y + erfinv_d0); + } + + r = r * sign_x; + x = x * sign_x; + + r -= (erf (r) - x) / (2 / sqrt (M_PI) * exp (-r * r)); + r -= (erf (r) - x) / (2 / sqrt (M_PI) * exp (-r * r)); + + return r; +} +/******** End 'external' code ********/ + namespace py = pybind11; From 64de29ca7213c23f09394fa1eab85fe7aae24482 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 16:01:06 +0100 Subject: [PATCH 11/41] Modified setup file I've modified the setup files in preparation for distribution on pypi. --- pyproject.toml | 43 +++++++++++++++++++++++++++++++++++++------ setup.py | 21 ++++++++++++++++----- 2 files changed, 53 insertions(+), 11 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index 95607b45..c5bbc67b 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,8 +1,39 @@ [build-system] -requires = [ -"setuptools", -"numpy>=1.20.0", -"cython", -"pybind11>=2.6.0", -"wheel"] +requires = ["setuptools", "numpy>=1.20.0", "cython", "pybind11>=2.6.0", "wheel"] build-backend = "setuptools.build_meta" + +[project] +name = "OMpy" +version = "1.1.0" +authors = [ + {name="Jørgen Eriksson Midtbø", email="jorgenem@gmail.com"}, + {name="Fabio Zeiser", email="fabio.zeiser@fys.uio.no"}, + {name="Erlend Lima", email="erlenlim@fys.uio.no"} +] +maintainers = [ + {name="Erlend Lima", email="erlenlim@fys.uio.no"}, + {name="Vetle Wegner Ingeberg", email="vetlewi@fys.uio.no"} +] + +dependencies = [ +"cython", "numpy>=1.20.0", "pandas", "matplotlib", "termtables", +"pymultinest", "scipy", "uncertainties>=3.0.3", "tqdm", "pathos", "pybind11>=2.6.0"] + +description = "A python implementation of the Oslo method" +readme = "README.md" +requires-python = ">=3.8" +classifiers = [ + "License :: OSI Approved :: GNU General Public License v3 (GPLv3)", + "Programming Language :: Python :: 3", + "Programming Language :: Python :: 3 :: Only", + "Programming Language :: Python :: 3.8", + "Programming Language :: Python :: 3.9", + "Programming Language :: Python :: 3.10", + "Programming Language :: Python :: 3.11", + "Intended Audience :: Science/Research", + "Topic :: Scientific/Engineering :: Physics", + ] + +[project.urls] +"Homepage" = "https://github.com/oslocyclotronlab/ompy" +"Bug Tracker" = "https://github.com/oslocyclotronlab/ompy/issues" \ No newline at end of file diff --git a/setup.py b/setup.py index e99ba10a..6e2f5d4f 100755 --- a/setup.py +++ b/setup.py @@ -108,7 +108,10 @@ def write_version_py(filename='ompy/version_setup.py'): 'git_revision': GIT_REVISION}) finally: a.close() -write_version_py() +try: + write_version_py() +except: + pass # If macOS, use ctypes.util.find_library to determine if OpenMP is avalible. openmp = os.getenv("ompy_OpenMP") @@ -144,8 +147,8 @@ def write_version_py(filename='ompy/version_setup.py'): Extension("ompy.decomposition", ["ompy/decomposition.pyx"], # on MacOS the clang compiler pretends not to support OpenMP, but in fact it does so - extra_compile_args=extra_compile_args, - extra_link_args=extra_link_args, + #extra_compile_args=extra_compile_args, + #extra_link_args=extra_link_args, include_dirs=[numpy.get_include()] ), Extension("ompy.rebin", ["ompy/rebin.pyx"], include_dirs=[numpy.get_include()]), @@ -174,8 +177,14 @@ def write_version_py(filename='ompy/version_setup.py'): "pybind11>=2.6.0" ] +try: + version = get_version_info()[0] +except: + version = VERSION + + setup(name='OMpy', - version=get_version_info()[0], + version=version, author="Jørgen Eriksson Midtbø, Fabio Zeiser, Erlend Lima", author_email=("jorgenem@gmail.com, " "fabio.zeiser@fys.uio.no, " @@ -188,6 +197,8 @@ def write_version_py(filename='ompy/version_setup.py'): compile_time_env={"OPENMP": openmp} )+ext_modules_pybind11, zip_safe=False, - install_requires=install_requires + setup_requires=["cython", "numpy>=1.20.0", "pybind11>=2.6.0"], + package_data={'ompy': ["*.pyx", '*.hpp']}, + #install_requires=install_requires ) From 76385f9678e867ec616df49aade64fac06dffd0c Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 16:02:03 +0100 Subject: [PATCH 12/41] Fixing a syntax error --- .github/workflows/publish-to-pypi.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml index 903d9404..4e143a29 100644 --- a/.github/workflows/publish-to-pypi.yml +++ b/.github/workflows/publish-to-pypi.yml @@ -15,7 +15,7 @@ jobs: python-version: "3.10" - name: Install build essentials - run: sudo apt install gfortran cmake liblapack-dev libblas-dev libomp-dev libopenmpi-dev + run: sudo apt install gfortran cmake liblapack-dev libblas-dev libomp-dev libopenmpi-dev - name: Download and install multinest run: | git clone https://github.com/JohannesBuchner/MultiNest From 6b66f77e578f1cf7500e2354a53341f2ebf9c6a3 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 16:10:33 +0100 Subject: [PATCH 13/41] Update to use a different image pypi requires a 'manylinux' build. Hopefully this will build that. --- .github/workflows/publish-to-pypi.yml | 12 +++++------- 1 file changed, 5 insertions(+), 7 deletions(-) diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml index 4e143a29..693b47ad 100644 --- a/.github/workflows/publish-to-pypi.yml +++ b/.github/workflows/publish-to-pypi.yml @@ -29,13 +29,11 @@ jobs: pip install build --user - - name: Build a binary wheel and a source tarball - run: >- - python -m - build - --sdist - --wheel - --outdir dist/ + - name: Build manylinux Python wheels + uses: RalfG/python-wheels-manylinux-build@v0.6.0-manylinux2014_x86_64 + with: + python-versions: 'cp310-cp310 cp311-cp311' + build-requirements: 'cython numpy pybind11>=2.6.0' env: ompy_OpenMP: False - name: Publish distribution 📦 to PyPI From 74e31efca3abcb7ffc10fd7a8ec66c4e38f2b96e Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 16:25:14 +0100 Subject: [PATCH 14/41] More adjustments to the workflow... --- .github/workflows/publish-to-pypi.yml | 14 ++++++++++---- 1 file changed, 10 insertions(+), 4 deletions(-) diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml index 693b47ad..3649a05f 100644 --- a/.github/workflows/publish-to-pypi.yml +++ b/.github/workflows/publish-to-pypi.yml @@ -27,7 +27,7 @@ jobs: run: >- python -m pip install - build + build twine --user - name: Build manylinux Python wheels uses: RalfG/python-wheels-manylinux-build@v0.6.0-manylinux2014_x86_64 @@ -36,8 +36,14 @@ jobs: build-requirements: 'cython numpy pybind11>=2.6.0' env: ompy_OpenMP: False - - name: Publish distribution 📦 to PyPI - uses: pypa/gh-action-pypi-publish@release/v1 + - name: Publish distribution to PyPI + run: | + python -m twine --repository testpypi dist/*-manylinux-*.whl with: - password: ${{ secrets.PYPI_API_TOKEN }} + TWINE_USERNAME: __token__ + TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }} + #- name: Publish distribution 📦 to PyPI + # uses: pypa/gh-action-pypi-publish@release/v1 + # with: + # password: ${{ secrets.PYPI_API_TOKEN }} repository_url: https://test.pypi.org/legacy/ \ No newline at end of file From 4be955053d8aa3176717b19b791b820d609d3f29 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 16:26:35 +0100 Subject: [PATCH 15/41] More fixes... Too bad you can't debug locally... --- .github/workflows/publish-to-pypi.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml index 3649a05f..a2471063 100644 --- a/.github/workflows/publish-to-pypi.yml +++ b/.github/workflows/publish-to-pypi.yml @@ -39,7 +39,7 @@ jobs: - name: Publish distribution to PyPI run: | python -m twine --repository testpypi dist/*-manylinux-*.whl - with: + env: TWINE_USERNAME: __token__ TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }} #- name: Publish distribution 📦 to PyPI From c7e8daea0f8d56b659e981d94ff39f518a8d8c30 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 16:31:04 +0100 Subject: [PATCH 16/41] Okei, this should be it! --- .github/workflows/publish-to-pypi.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml index a2471063..21e8c546 100644 --- a/.github/workflows/publish-to-pypi.yml +++ b/.github/workflows/publish-to-pypi.yml @@ -38,7 +38,7 @@ jobs: ompy_OpenMP: False - name: Publish distribution to PyPI run: | - python -m twine --repository testpypi dist/*-manylinux-*.whl + python -m twine upload --repository testpypi dist/*-manylinux-*.whl env: TWINE_USERNAME: __token__ TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }} From 31de27646bf0b758145c5d0a6c5352ffb0525b53 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Mon, 16 Jan 2023 17:12:11 +0100 Subject: [PATCH 17/41] Additional changes More changes in order to facilitate simple integration of cibuildwheel for building all the wheels --- MANIFEST.in | 7 ++ {src => ompy/stats}/erfinv.hpp | 0 ompy/stats/stats.cpp | 57 ++++++++++++++ setup.py | 34 ++++++-- src/stats.cpp | 137 --------------------------------- 5 files changed, 91 insertions(+), 144 deletions(-) create mode 100644 MANIFEST.in rename {src => ompy/stats}/erfinv.hpp (100%) create mode 100644 ompy/stats/stats.cpp delete mode 100644 src/stats.cpp diff --git a/MANIFEST.in b/MANIFEST.in new file mode 100644 index 00000000..3ec1f81f --- /dev/null +++ b/MANIFEST.in @@ -0,0 +1,7 @@ +include LICENSE.md +include README.md +include ompy/decomposition.pyx +include ompy/rebin.pyx +include ompy/gauss_smoothing.pyx +include ompy/stats/stats.cpp +include ompy/stats/erfinv.hpp \ No newline at end of file diff --git a/src/erfinv.hpp b/ompy/stats/erfinv.hpp similarity index 100% rename from src/erfinv.hpp rename to ompy/stats/erfinv.hpp diff --git a/ompy/stats/stats.cpp b/ompy/stats/stats.cpp new file mode 100644 index 00000000..7a12c2d0 --- /dev/null +++ b/ompy/stats/stats.cpp @@ -0,0 +1,57 @@ + +#include +#include +#include "erfinv.hpp" + + + +namespace py = pybind11; +constexpr double sqrt2 = 1.41421356237309504880168872420969807856967187; + + +double normal_ppf(double x) +{ + return sqrt2*erfinv(2*x - 1); +} + + +double truncnorm_ppf(double x, double alpha = -INFINITY, double beta = INFINITY) +{ + double a = 0.5*(1 + erf(alpha/sqrt2)); + double b = 0.5*(1 + erf(beta/sqrt2)); + return sqrt2*erfinv(2*(x*(b-a) + a) - 1); +} + + +PYBIND11_MODULE(stats, m) { + m.doc() = "Implementation of the inverse cumulative normal and truncated normal distribution"; + + m.def("normal_ppf", &normal_ppf, R"PREFIX(Percent point function for the normal distribution. + For a normal distribution with mean μ and width σ use following transformation: + ```python + def transform_normal_ppf(x, μ, σ): + return normal_ppf(x)*σ + μ + ``` + Args: + x: (float) quantile. + Returns: Inverse of the standardized cumulative normal distribution.)PREFIX"); + + m.def("normal_ppf_vec", py::vectorize(normal_ppf), "Vectorized version of normal_ppf accepting numpy arrays."); + + + m.def("truncnorm_ppf", &truncnorm_ppf, R"PREFIX(Percent point function for the truncated normal distribution. + For a truncated normal distribution with mean μ, width σ, lower limit a and upper limit b, use + following transformation: + ```python + def transform_truncnorm_ppf(x, μ, σ, a, b): + α = (a - μ)/σ + β = (b - μ)/σ + return truncnorm_ppf(x, α, β)*σ + μ + ``` + Args: + x: (float) quantile. + alpha: (float) + beta: (float) + Returns: Inverse of the cumulative normal distribution.)PREFIX"); + m.def("truncnorm_ppf_vec", py::vectorize(truncnorm_ppf), "Vectorized version of truncnorm_ppf accepting numpy arrays."); +} \ No newline at end of file diff --git a/setup.py b/setup.py index 6e2f5d4f..c4472151 100755 --- a/setup.py +++ b/setup.py @@ -9,6 +9,11 @@ from ctypes.util import find_library from pybind11.setup_helpers import Pybind11Extension +try: + import wheel.bdist_wheel +except ImportError: + wheel = None + try: from Cython.Build import cythonize from Cython.Distutils import build_ext @@ -115,6 +120,8 @@ def write_version_py(filename='ompy/version_setup.py'): # If macOS, use ctypes.util.find_library to determine if OpenMP is avalible. openmp = os.getenv("ompy_OpenMP") +if wheel is not None: # We do not build with OpenMP if wheel + openmp = False if openmp is None and platform.system() == 'Darwin': # Check if macOS if find_library("omp") != None: openmp = True @@ -157,7 +164,7 @@ def write_version_py(filename='ompy/version_setup.py'): ext_modules_pybind11 = [ Pybind11Extension("ompy.stats", - ["src/stats.cpp"], + ["ompy/stats/stats.cpp"], extra_compile_args=["-std=c++11", "-mfpmath=sse", "-O3", "-funroll-loops", "-march=native"]) @@ -177,28 +184,41 @@ def write_version_py(filename='ompy/version_setup.py'): "pybind11>=2.6.0" ] +def read_version(): + try: + with open("ompy/version_setup.py") as f: + ns = {} + exec(f.read(), ns) + version = ns["full_version"] + return version + except FileNotFoundError: + return VERSION + try: version = get_version_info()[0] except: - version = VERSION + version = read_version() -setup(name='OMpy', +setup(name='ompy', version=version, author="Jørgen Eriksson Midtbø, Fabio Zeiser, Erlend Lima", author_email=("jorgenem@gmail.com, " "fabio.zeiser@fys.uio.no, " "erlenlim@fys.uio.no"), url="https://github.com/oslocyclotronlab/ompy", - packages=find_packages(), + python_requires=">= 3.8", + packages=['ompy', 'ompy.stats', 'ompy.introspection'], + package_data={ + "ompy": ["decomposition.pyx", "rebin.pyx", "gauss_smoothing.pyx"], + "ompy.stats": ['*.hpp'] + }, ext_modules=cythonize(ext_modules, compiler_directives={'language_level': "3", 'embedsignature': True}, compile_time_env={"OPENMP": openmp} )+ext_modules_pybind11, zip_safe=False, - setup_requires=["cython", "numpy>=1.20.0", "pybind11>=2.6.0"], - package_data={'ompy': ["*.pyx", '*.hpp']}, - #install_requires=install_requires + setup_requires=["cython", "numpy>=1.20.0", "pybind11>=2.6.0"] ) diff --git a/src/stats.cpp b/src/stats.cpp deleted file mode 100644 index 6f0c5beb..00000000 --- a/src/stats.cpp +++ /dev/null @@ -1,137 +0,0 @@ - -#include -#include -#include - -/******** Included 'external' code ********/ -/* - libit - Library for basic source and channel coding functions - Copyright (C) 2005-2005 Vivien Chappelier, Herve Jegou - - This library is free software; you can redistribute it and/or - modify it under the terms of the GNU General Public - License as published by the Free Software Foundation; either - version 3 of the License, or (at your option) any later version. - - This library is distributed in the hope that it will be useful, - but WITHOUT ANY WARRANTY; without even the implied warranty of - MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU - General Public License for more details. - - You should have received a copy of the GNU General Public - License along with this library; if not, write to the Free - Software Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA. - */ -/* - Implementation of inverse error function taken from libit on - 3 nov. 2020. Redistributed with GPLv3. - */ - - -constexpr double erfinv_a3 = -0.140543331; -constexpr double erfinv_a2 = 0.914624893; -constexpr double erfinv_a1 = -1.645349621; -constexpr double erfinv_a0 = 0.886226899; - -constexpr double erfinv_b4 = 0.012229801; -constexpr double erfinv_b3 = -0.329097515; -constexpr double erfinv_b2 = 1.442710462; -constexpr double erfinv_b1 = -2.118377725; -constexpr double erfinv_b0 = 1; - -constexpr double erfinv_c3 = 1.641345311; -constexpr double erfinv_c2 = 3.429567803; -constexpr double erfinv_c1 = -1.62490649; -constexpr double erfinv_c0 = -1.970840454; - -constexpr double erfinv_d2 = 1.637067800; -constexpr double erfinv_d1 = 3.543889200; -constexpr double erfinv_d0 = 1; - -/* Compute the inverse error function */ -inline double erfinv(double x) -{ - - if ( x <= -1 ){ - return -INFINITY; - } else if ( x >= 1 ) { - return INFINITY; - } - - double x2, r, y; - double sign_x = ( x < 0 ) ? -1 : 1; - x = fabs(x); - - if ( x <= 0.7 ){ - - x2 = x * x; - r = x * (((erfinv_a3 * x2 + erfinv_a2) * x2 + erfinv_a1) * x2 + erfinv_a0); - r /= (((erfinv_b4 * x2 + erfinv_b3) * x2 + erfinv_b2) * x2 +erfinv_b1) * x2 + erfinv_b0; - } else { - y = sqrt(-log((1-x)/2.0)); - r = (((erfinv_c3 * y + erfinv_c2) * y + erfinv_c1) * y + erfinv_c0); - r /= ((erfinv_d2 * y + erfinv_d1) * y + erfinv_d0); - } - - r = r * sign_x; - x = x * sign_x; - - r -= (erf (r) - x) / (2 / sqrt (M_PI) * exp (-r * r)); - r -= (erf (r) - x) / (2 / sqrt (M_PI) * exp (-r * r)); - - return r; -} -/******** End 'external' code ********/ - - - -namespace py = pybind11; -constexpr double sqrt2 = 1.41421356237309504880168872420969807856967187; - - -double normal_ppf(double x) -{ - return sqrt2*erfinv(2*x - 1); -} - - -double truncnorm_ppf(double x, double alpha = -INFINITY, double beta = INFINITY) -{ - double a = 0.5*(1 + erf(alpha/sqrt2)); - double b = 0.5*(1 + erf(beta/sqrt2)); - return sqrt2*erfinv(2*(x*(b-a) + a) - 1); -} - - -PYBIND11_MODULE(stats, m) { - m.doc() = "Implementation of the inverse cumulative normal and truncated normal distribution"; - - m.def("normal_ppf", &normal_ppf, R"PREFIX(Percent point function for the normal distribution. - For a normal distribution with mean μ and width σ use following transformation: - ```python - def transform_normal_ppf(x, μ, σ): - return normal_ppf(x)*σ + μ - ``` - Args: - x: (float) quantile. - Returns: Inverse of the standardized cumulative normal distribution.)PREFIX"); - - m.def("normal_ppf_vec", py::vectorize(normal_ppf), "Vectorized version of normal_ppf accepting numpy arrays."); - - - m.def("truncnorm_ppf", &truncnorm_ppf, R"PREFIX(Percent point function for the truncated normal distribution. - For a truncated normal distribution with mean μ, width σ, lower limit a and upper limit b, use - following transformation: - ```python - def transform_truncnorm_ppf(x, μ, σ, a, b): - α = (a - μ)/σ - β = (b - μ)/σ - return truncnorm_ppf(x, α, β)*σ + μ - ``` - Args: - x: (float) quantile. - alpha: (float) - beta: (float) - Returns: Inverse of the cumulative normal distribution.)PREFIX"); - m.def("truncnorm_ppf_vec", py::vectorize(truncnorm_ppf), "Vectorized version of truncnorm_ppf accepting numpy arrays."); -} \ No newline at end of file From fa13eddfd532bfb838ec916dc93d2d7540198e6c Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 10:20:42 +0100 Subject: [PATCH 18/41] A little more debugging... --- .github/workflows/publish-to-pypi.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml index 21e8c546..b5ef594c 100644 --- a/.github/workflows/publish-to-pypi.yml +++ b/.github/workflows/publish-to-pypi.yml @@ -38,6 +38,7 @@ jobs: ompy_OpenMP: False - name: Publish distribution to PyPI run: | + ls -las dist/ python -m twine upload --repository testpypi dist/*-manylinux-*.whl env: TWINE_USERNAME: __token__ From 77d4b9d8f92f42e9c1724b0a0c156cb0c939fe98 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 10:49:36 +0100 Subject: [PATCH 19/41] Testing the cibuildwheel solution --- .github/workflows/main.yml | 86 +++++++++----------------------------- 1 file changed, 19 insertions(+), 67 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 7bad1df4..e226a634 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -17,82 +17,34 @@ on: jobs: - tests-ubuntu: - name: Run tests for ${{ matrix.os }} on ${{ matrix.python-version }} + build_wheels: + name: Build wheel on ${{ matrix.os }} runs-on: ${{ matrix.os }} - - strategy: - fail-fast: false matrix: os: ['ubuntu-latest'] - python-version: ['3.8', '3.9', '3.10'] - - steps: - uses: actions/checkout@v3 - - name: Install python - uses: actions/setup-python@v4 - with: - python-version: ${{ matrix.python-version }} - - - name: Install build essentials - run: sudo apt install gfortran cmake liblapack-dev libblas-dev libomp-dev libopenmpi-dev - - name: Download and install multinest - run: | - git clone https://github.com/JohannesBuchner/MultiNest - cd MultiNest/build - cmake .. - make - - name: Install dependencies - run: | - python -m pip install --upgrade pip - pip install pytest pytest-cov - - name: Install OMpy - run: pip install -e . - - name: Run tests - run: pytest --cov + + - name: Build wheels + uses: pypa/cibuildwheel@v2.12.0 env: - LD_LIBRARY_PATH: /home/runner/work/ompy/ompy/MultiNest/lib - #- name: Upload coverage to Codecov - # uses: codecov/codecov-action@v3 + CIBW_BUILD: cp310-manylinux_x86_64 - tests-macos: - name: Run tests for ${{ matrix.os }} on ${{ matrix.python-version }} - runs-on: ${{ matrix.os }} + - name: Install wheel + run: ls -las ./dist + #- uses: actions/upload-artifact@v3 + # with: + # path: dist/*.tar.gz + #- name: Install python + # uses: actions/setup-python@v4 + # with: + # python-version: "3.10" - strategy: - fail-fast: false - matrix: - os: ['macos-latest'] - python-version: ['3.8', '3.9', '3.10'] + #test_wheel: + # name: Test wheel on ${{ matrix.os }} + # runs-on: ${{ matrix.os }} + # strategy: - steps: - - uses: actions/checkout@v3 - - name: Install python - uses: actions/setup-python@v4 - with: - python-version: ${{ matrix.python-version }} - - - name: Install build essentials - run: brew install cmake gcc libomp gfortran - - name: Download and install multinest - run: | - git clone https://github.com/JohannesBuchner/MultiNest - cd MultiNest/build - cmake .. - make - env: - FC: /usr/local/bin/gfortran-11 - - name: Install dependencies - run: | - python -m pip install --upgrade pip - pip install pytest pytest-cov - - name: Install OMpy - run: pip install -e . - - name: Run tests - run: pytest - env: - LD_LIBRARY_PATH: /home/runner/work/ompy/ompy/MultiNest/lib From 96d031db79081f65f55e81e0dea71fd5fbe6c519 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 10:52:30 +0100 Subject: [PATCH 20/41] Working on determining where stuff ends up... --- .github/workflows/main.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index e226a634..7df98526 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -32,7 +32,7 @@ jobs: CIBW_BUILD: cp310-manylinux_x86_64 - name: Install wheel - run: ls -las ./dist + run: ls -las #- uses: actions/upload-artifact@v3 # with: From 594daf6c6907e942ffbdc0203adaf45bb38e1022 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 10:55:37 +0100 Subject: [PATCH 21/41] Update main.yml --- .github/workflows/main.yml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 7df98526..85d7b6d6 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -32,7 +32,9 @@ jobs: CIBW_BUILD: cp310-manylinux_x86_64 - name: Install wheel - run: ls -las + run: | + ls -las wheelhouse + pip install wheelhouse/OMpy-1.1.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl #- uses: actions/upload-artifact@v3 # with: From 3e6e8618fe7f83ea2f21f86e827ded74969b62c9 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 11:10:51 +0100 Subject: [PATCH 22/41] Added test step --- .github/workflows/main.yml | 21 ++++++++------------- 1 file changed, 8 insertions(+), 13 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 85d7b6d6..cc26bcb1 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -29,20 +29,15 @@ jobs: - name: Build wheels uses: pypa/cibuildwheel@v2.12.0 env: + LD_LIBRARY_PATH: /home/runner/work/ompy/ompy/MultiNest/lib CIBW_BUILD: cp310-manylinux_x86_64 - - - name: Install wheel - run: | - ls -las wheelhouse - pip install wheelhouse/OMpy-1.1.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl - - #- uses: actions/upload-artifact@v3 - # with: - # path: dist/*.tar.gz - #- name: Install python - # uses: actions/setup-python@v4 - # with: - # python-version: "3.10" + CIBW_TEST_COMMAND: pytest {project}/tests + CIBW_BEFORE_TEST_LINUX: > + git clone https://github.com/JohannesBuchner/MultiNest + cd MultiNest/build + cmake .. + make + CIBW_TEST_REQUIRES: pytest pytest-cov #test_wheel: From 84db0096952b31a87bfcd3547d5daebe995f6f4f Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 11:12:03 +0100 Subject: [PATCH 23/41] Missing && --- .github/workflows/main.yml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index cc26bcb1..e72cbe9f 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -33,9 +33,9 @@ jobs: CIBW_BUILD: cp310-manylinux_x86_64 CIBW_TEST_COMMAND: pytest {project}/tests CIBW_BEFORE_TEST_LINUX: > - git clone https://github.com/JohannesBuchner/MultiNest - cd MultiNest/build - cmake .. + git clone https://github.com/JohannesBuchner/MultiNest && + cd MultiNest/build && + cmake ..&& make CIBW_TEST_REQUIRES: pytest pytest-cov From e1be6b87fe33fb2493816258625a47886e7a0655 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 11:58:29 +0100 Subject: [PATCH 24/41] Moved configuration to pyproject I've moved the configuration parameters for cibuildwheel to the pyproject file. --- .github/workflows/main.yml | 10 ---------- pyproject.toml | 26 +++++++++++++++++++++++++- 2 files changed, 25 insertions(+), 11 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index e72cbe9f..7e6970b2 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -28,16 +28,6 @@ jobs: - name: Build wheels uses: pypa/cibuildwheel@v2.12.0 - env: - LD_LIBRARY_PATH: /home/runner/work/ompy/ompy/MultiNest/lib - CIBW_BUILD: cp310-manylinux_x86_64 - CIBW_TEST_COMMAND: pytest {project}/tests - CIBW_BEFORE_TEST_LINUX: > - git clone https://github.com/JohannesBuchner/MultiNest && - cd MultiNest/build && - cmake ..&& - make - CIBW_TEST_REQUIRES: pytest pytest-cov #test_wheel: diff --git a/pyproject.toml b/pyproject.toml index c5bbc67b..9ba45ad6 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -36,4 +36,28 @@ classifiers = [ [project.urls] "Homepage" = "https://github.com/oslocyclotronlab/ompy" -"Bug Tracker" = "https://github.com/oslocyclotronlab/ompy/issues" \ No newline at end of file +"Bug Tracker" = "https://github.com/oslocyclotronlab/ompy/issues" + +[tool.cibuildwheel] +build = "cp310-manylinux_x86_64" +test-requires = "pytest" +test-command = "pytest {project}/tests" + +[tool.cibuildwheel.macos] +before-test = [ + "git clone https://github.com/JohannesBuchner/MultiNest", + "cd MultiNest/build", + "cmake ..", + "make install" +] + + +[tool.cibuildwheel.linux] +before-test = [ + "yum -y install blas-devel lapack-devel", + "git clone https://github.com/JohannesBuchner/MultiNest", + "cd MultiNest/build", + "cmake ..", + "make install" +] +environment = {LD_LIBRARY_PATH="/usr/local/lib"} From ed1c511bf79eeb7677818040696e129479fc0fc1 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 12:34:21 +0100 Subject: [PATCH 25/41] Modification to the example code I've changed the structure of the example code to make sure that it gets copied when building the wheel --- ompy/examples/Dy164_raw.m | Bin 0 -> 1540915 bytes ompy/examples/Si28_raw_matrix_compressed.m | Bin 0 -> 266118 bytes ompy/{examples.py => examples/__init__.py} | 7 ++++--- setup.py | 5 +++-- 4 files changed, 7 insertions(+), 5 deletions(-) create mode 100644 ompy/examples/Dy164_raw.m create mode 100644 ompy/examples/Si28_raw_matrix_compressed.m rename ompy/{examples.py => examples/__init__.py} (88%) diff --git a/ompy/examples/Dy164_raw.m b/ompy/examples/Dy164_raw.m new file mode 100644 index 0000000000000000000000000000000000000000..96daf5dcfd3629aba8f43c356d262c215855c68a GIT binary patch literal 1540915 zcmeFaTd#CUavkR9`4u&9B+Sz|Ri|#Jfq57WThQ2}8Dc~U_9HD5Fd<$HUJMh^kN1km zwN~tmsIR{!sUB0%d=Cwr-Fs)o{hnDr{kOmT)ptMp+H-G=PfAiO;U;Wwt 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zi9MS52!FE6_?9D*J(}2~i9MRwqlrD5*rSO(68M%QfsbhYJ(}2~i9MRwqlrD5*rSP$ a@F%;BZ#g3Q?iauQ)%U;s)i1yM?*9jg1vNAP literal 0 HcmV?d00001 diff --git a/ompy/examples.py b/ompy/examples/__init__.py similarity index 88% rename from ompy/examples.py rename to ompy/examples/__init__.py index c699732d..5421765e 100644 --- a/ompy/examples.py +++ b/ompy/examples/__init__.py @@ -1,12 +1,13 @@ import os from typing import Tuple, List -from .matrix import Matrix +from ..matrix import Matrix import numpy as np -EXAMPLES = {'dy164': {'raw': "../../example_data/Dy164_raw.m", + +EXAMPLES = {'dy164': {'raw': "../Dy164_raw.m", # 'response': "../../data/Dy164_response_matrix.m" }, - 'si28': {'raw': "../../example_data/Si28_raw_matrix_compressed.m"} + 'si28': {'raw': "../Si28_raw_matrix_compressed.m"} } DATAPATH = os.path.abspath(__file__) diff --git a/setup.py b/setup.py index c4472151..9909a6e0 100755 --- a/setup.py +++ b/setup.py @@ -208,10 +208,11 @@ def read_version(): "erlenlim@fys.uio.no"), url="https://github.com/oslocyclotronlab/ompy", python_requires=">= 3.8", - packages=['ompy', 'ompy.stats', 'ompy.introspection'], + packages=['ompy', 'ompy.examples', 'ompy.stats', 'ompy.introspection'], package_data={ "ompy": ["decomposition.pyx", "rebin.pyx", "gauss_smoothing.pyx"], - "ompy.stats": ['*.hpp'] + "ompy.stats": ['*.hpp'], + "ompy.examples": ['*.m'] }, ext_modules=cythonize(ext_modules, compiler_directives={'language_level': "3", From 7e2b5fdc56099c66311fa0009f48848e39d5373e Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 13:06:02 +0100 Subject: [PATCH 26/41] Build and test both macOS and linux --- .github/workflows/main.yml | 14 +++++++++++--- pyproject.toml | 7 +++++-- 2 files changed, 16 insertions(+), 5 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 7e6970b2..2dd9d3f1 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -14,21 +14,29 @@ on: - main pull_request: - '*' +#on: +# push: +# pull_request: +# branches: +# - master +# release: +# types: [published] jobs: - build_wheels: + build_wheel: name: Build wheel on ${{ matrix.os }} runs-on: ${{ matrix.os }} strategy: matrix: - os: ['ubuntu-latest'] + os: ['ubuntu-latest', 'macos-latest'] steps: - uses: actions/checkout@v3 - name: Build wheels uses: pypa/cibuildwheel@v2.12.0 - + env: + CIBW_ARCHS_MACOS: x86_64 arm64 #test_wheel: # name: Test wheel on ${{ matrix.os }} diff --git a/pyproject.toml b/pyproject.toml index 9ba45ad6..f2dfc381 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -39,9 +39,12 @@ classifiers = [ "Bug Tracker" = "https://github.com/oslocyclotronlab/ompy/issues" [tool.cibuildwheel] -build = "cp310-manylinux_x86_64" +build = ["*_x86_64", "*_arm64"] +skip = ["cp36-*", "cp37-*", "cp38-*", "cp39-*", "*-musllinux-*"] test-requires = "pytest" test-command = "pytest {project}/tests" +test-skip = "*-macosx_arm64 *-macosx_universal2:arm64" +test-skip = "*-*linux_{aarch64,ppc64le,s390x}" [tool.cibuildwheel.macos] before-test = [ @@ -50,7 +53,7 @@ before-test = [ "cmake ..", "make install" ] - +environment = {LD_LIBRARY_PATH="/usr/local/lib", MACOSX_DEPLOYMENT_TARGET="10.14"} [tool.cibuildwheel.linux] before-test = [ From dd41a0f0573b59df1e0ee7cb084eb6858f97a2df Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 13:49:19 +0100 Subject: [PATCH 27/41] Updates to the build settings --- pyproject.toml | 11 +++++------ 1 file changed, 5 insertions(+), 6 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index f2dfc381..428c1901 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -39,15 +39,14 @@ classifiers = [ "Bug Tracker" = "https://github.com/oslocyclotronlab/ompy/issues" [tool.cibuildwheel] -build = ["*_x86_64", "*_arm64"] -skip = ["cp36-*", "cp37-*", "cp38-*", "cp39-*", "*-musllinux-*"] +build = ["cp310-*_x86_64", "cp311-*_x86_64", "cp310-*_arm64", "cp311-*_arm64"] +skip = ["cp36-*", "cp37-*", "cp38-*", "cp39-*", "*-musllinux-*", "pp*"] test-requires = "pytest" test-command = "pytest {project}/tests" -test-skip = "*-macosx_arm64 *-macosx_universal2:arm64" -test-skip = "*-*linux_{aarch64,ppc64le,s390x}" +test-skip = ["*-macosx_arm64, *-macosx_universal2:arm64", "*-*linux_{aarch64,ppc64le,s390x}"] [tool.cibuildwheel.macos] -before-test = [ +before-all = [ "git clone https://github.com/JohannesBuchner/MultiNest", "cd MultiNest/build", "cmake ..", @@ -56,7 +55,7 @@ before-test = [ environment = {LD_LIBRARY_PATH="/usr/local/lib", MACOSX_DEPLOYMENT_TARGET="10.14"} [tool.cibuildwheel.linux] -before-test = [ +before-all = [ "yum -y install blas-devel lapack-devel", "git clone https://github.com/JohannesBuchner/MultiNest", "cd MultiNest/build", From 127cde44d36395749689a3569f006eead829e60c Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 13:55:13 +0100 Subject: [PATCH 28/41] Added missing environmental variable FC Debugging macOS build --- .github/workflows/main.yml | 2 +- pyproject.toml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 2dd9d3f1..66a249c5 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -29,7 +29,7 @@ jobs: runs-on: ${{ matrix.os }} strategy: matrix: - os: ['ubuntu-latest', 'macos-latest'] + os: ['macos-latest'] steps: - uses: actions/checkout@v3 diff --git a/pyproject.toml b/pyproject.toml index 428c1901..f2eed6c0 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -52,7 +52,7 @@ before-all = [ "cmake ..", "make install" ] -environment = {LD_LIBRARY_PATH="/usr/local/lib", MACOSX_DEPLOYMENT_TARGET="10.14"} +environment = {LD_LIBRARY_PATH="/usr/local/lib", MACOSX_DEPLOYMENT_TARGET="10.14", FC="/usr/local/bin/gfortran-11"} [tool.cibuildwheel.linux] before-all = [ From b1da15afe4c513ee95bc405acd4b479f23595fb6 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 13:55:50 +0100 Subject: [PATCH 29/41] Added the example matrix files --- MANIFEST.in | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/MANIFEST.in b/MANIFEST.in index 3ec1f81f..f1b25d6a 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -4,4 +4,6 @@ include ompy/decomposition.pyx include ompy/rebin.pyx include ompy/gauss_smoothing.pyx include ompy/stats/stats.cpp -include ompy/stats/erfinv.hpp \ No newline at end of file +include ompy/stats/erfinv.hpp +include ompy/examples/Dy164_raw.m +include ompy/examples/Si28_raw_matrix_compressed.m \ No newline at end of file From d37b7641286999910a564cd2dddb94dbf5f524fd Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 14:02:27 +0100 Subject: [PATCH 30/41] No install because of issues while installing --- pyproject.toml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index f2eed6c0..d5679a22 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -50,9 +50,9 @@ before-all = [ "git clone https://github.com/JohannesBuchner/MultiNest", "cd MultiNest/build", "cmake ..", - "make install" + "make" ] -environment = {LD_LIBRARY_PATH="/usr/local/lib", MACOSX_DEPLOYMENT_TARGET="10.14", FC="/usr/local/bin/gfortran-11"} +environment = {LD_LIBRARY_PATH="/home/runner/work/ompy/ompy/MultiNest/lib", MACOSX_DEPLOYMENT_TARGET="10.14", FC="/usr/local/bin/gfortran-11"} [tool.cibuildwheel.linux] before-all = [ From e52e797542f0fe29c97ed9bba0e4c1d6d6f81db5 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 14:09:49 +0100 Subject: [PATCH 31/41] Removed some compiler flags that does not work on apple silicon --- setup.py | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/setup.py b/setup.py index 9909a6e0..1b9426d5 100755 --- a/setup.py +++ b/setup.py @@ -141,7 +141,7 @@ def write_version_py(filename='ompy/version_setup.py'): if os.path.exists(fname): os.remove(fname) -extra_compile_args = ["-O3", "-ffast-math", "-march=native"] +extra_compile_args = ["-O3"] extra_link_args = [] if openmp and platform.system() == 'Darwin': extra_compile_args.insert(-1, "-Xpreprocessor -fopenmp") @@ -165,9 +165,7 @@ def write_version_py(filename='ompy/version_setup.py'): ext_modules_pybind11 = [ Pybind11Extension("ompy.stats", ["ompy/stats/stats.cpp"], - extra_compile_args=["-std=c++11", "-mfpmath=sse", - "-O3", "-funroll-loops", - "-march=native"]) + extra_compile_args=["-std=c++11", "-O3"]) ] install_requires = [ From c32815ca48b7fd58b85b8b089716e2f94b576878 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 14:31:53 +0100 Subject: [PATCH 32/41] Test deployment too --- .github/workflows/main.yml | 43 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 43 insertions(+) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 66a249c5..8f50242c 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -12,6 +12,7 @@ on: branches: - workflow # For debugging the workflow.. - main + - test_release pull_request: - '*' #on: @@ -24,6 +25,22 @@ on: jobs: + build_sdist: + name: Build SDist + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v3 + + - name: Build SDist + run: pipx run build --sdist + + - name: Check metadata + run: pipx run twine check dist/* + + - uses: actions/upload-artifact@v3 + with: + path: dist/*.tar.gz + build_wheel: name: Build wheel on ${{ matrix.os }} runs-on: ${{ matrix.os }} @@ -38,6 +55,32 @@ jobs: env: CIBW_ARCHS_MACOS: x86_64 arm64 + upload_all: + + + upload_test: + name: Upload if test release + needs: [build_sdist, build_wheel] + runs-on: ubuntu-latest + if: github.event_name == 'push' && github.ref == 'refs/heads/test_release' + + steps: + - uses: actions/setup-python@v4 + with: "3.x" + + - uses: actions/download-artifact@v3 + with: + name: artifact + path: dist + + - uses: pypa/gh-action-pypi-publish@v1.6.4 + with: + name: __token__ + password: ${{ secrets.PYPI_API_TOKEN }} + repository_url: https://test.pypi.org/legacy/ + + + #test_wheel: # name: Test wheel on ${{ matrix.os }} # runs-on: ${{ matrix.os }} From caa0a6de54071ce0bd4d2b8a2b7d2d22a0c3ca31 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 14:32:25 +0100 Subject: [PATCH 33/41] Testing with ubuntu only... --- .github/workflows/main.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 8f50242c..505cabd3 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -46,7 +46,7 @@ jobs: runs-on: ${{ matrix.os }} strategy: matrix: - os: ['macos-latest'] + os: ['ubuntu-latest'] steps: - uses: actions/checkout@v3 From 28d7af529b237821ffa03a91256de17b8a3c0bb9 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 14:33:14 +0100 Subject: [PATCH 34/41] Removed the upload job. Will add once I know that the test release works --- .github/workflows/main.yml | 3 --- 1 file changed, 3 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 505cabd3..baf30a8b 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -55,15 +55,12 @@ jobs: env: CIBW_ARCHS_MACOS: x86_64 arm64 - upload_all: - upload_test: name: Upload if test release needs: [build_sdist, build_wheel] runs-on: ubuntu-latest if: github.event_name == 'push' && github.ref == 'refs/heads/test_release' - steps: - uses: actions/setup-python@v4 with: "3.x" From 8c31a92139e0edc234c24a47af5f2f1580c4884f Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 14:33:56 +0100 Subject: [PATCH 35/41] Added python tag --- .github/workflows/main.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index baf30a8b..9c022832 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -63,7 +63,7 @@ jobs: if: github.event_name == 'push' && github.ref == 'refs/heads/test_release' steps: - uses: actions/setup-python@v4 - with: "3.x" + with: "3.10" - uses: actions/download-artifact@v3 with: From 978a1860f225d80531589d02453f8cfa34f8cc2f Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 14:34:39 +0100 Subject: [PATCH 36/41] Stupid errors... --- .github/workflows/main.yml | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 9c022832..91db1d9e 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -63,7 +63,8 @@ jobs: if: github.event_name == 'push' && github.ref == 'refs/heads/test_release' steps: - uses: actions/setup-python@v4 - with: "3.10" + with: + python-version: "3.10" - uses: actions/download-artifact@v3 with: From dfd52a4346ac15b357dd9bdbfc1948b8656803ef Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 14:42:23 +0100 Subject: [PATCH 37/41] Added missing upload --- .github/workflows/main.yml | 4 ++++ pyproject.toml | 8 +++++++- 2 files changed, 11 insertions(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 91db1d9e..866bc814 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -55,6 +55,10 @@ jobs: env: CIBW_ARCHS_MACOS: x86_64 arm64 + - uses: actions/upload-artifact@v3 + with: + path: wheelhouse/*.whl + upload_test: name: Upload if test release diff --git a/pyproject.toml b/pyproject.toml index d5679a22..5ffbe521 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -39,7 +39,13 @@ classifiers = [ "Bug Tracker" = "https://github.com/oslocyclotronlab/ompy/issues" [tool.cibuildwheel] -build = ["cp310-*_x86_64", "cp311-*_x86_64", "cp310-*_arm64", "cp311-*_arm64"] +build = ["cp310-manylinux_x86_64", + "cp311-manylinux_x86_64", + "cp310-macosx_x86_64", + "cp311-macosx_x86_64", + "cp310-macosx_arm64", + "cp311-macosx_arm64"] + skip = ["cp36-*", "cp37-*", "cp38-*", "cp39-*", "*-musllinux-*", "pp*"] test-requires = "pytest" test-command = "pytest {project}/tests" From b2486404d4a7b515bdc7445aea542eaab6d11475 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 14:47:24 +0100 Subject: [PATCH 38/41] Workflow (#96) * Debugging git workflow to replace travis * Updates to workflow * Debugging... * Fixed a small bug In the latest linux versions there seems to be an error where the array with size 1x1 is not converted into a float. We now explicitly convert to a float. The tests now passes. * Added a macOS test as well * Debugging * Slight error... * Updated workflow * Publish workflow Added a new workflow to publish to pypi. For now this will push to the test repository until we are ready to create official releases. * Merging stats.cpp and erfinv.hpp I've merged the stats.cpp and erfinv.hpp as the code could easily live in the same file. * Modified setup file I've modified the setup files in preparation for distribution on pypi. * Fixing a syntax error * Update to use a different image pypi requires a 'manylinux' build. Hopefully this will build that. * More adjustments to the workflow... * More fixes... Too bad you can't debug locally... * Okei, this should be it! * Additional changes More changes in order to facilitate simple integration of cibuildwheel for building all the wheels * A little more debugging... * Testing the cibuildwheel solution * Working on determining where stuff ends up... * Update main.yml * Added test step * Missing && * Moved configuration to pyproject I've moved the configuration parameters for cibuildwheel to the pyproject file. * Modification to the example code I've changed the structure of the example code to make sure that it gets copied when building the wheel * Build and test both macOS and linux * Updates to the build settings * Added missing environmental variable FC Debugging macOS build * Added the example matrix files * No install because of issues while installing * Removed some compiler flags that does not work on apple silicon * Test deployment too * Testing with ubuntu only... * Removed the upload job. Will add once I know that the test release works * Added python tag * Stupid errors... * Added missing upload --- .github/workflows/main.yml | 90 +++++++++++++++++++++ .github/workflows/publish-to-pypi.yml | 50 ++++++++++++ MANIFEST.in | 9 +++ ompy/examples/Dy164_raw.m | Bin 0 -> 1540915 bytes ompy/examples/Si28_raw_matrix_compressed.m | Bin 0 -> 266118 bytes ompy/{examples.py => examples/__init__.py} | 7 +- ompy/spinfunctions.py | 2 +- {src => ompy/stats}/erfinv.hpp | 0 {src => ompy/stats}/stats.cpp | 3 +- pyproject.toml | 75 +++++++++++++++-- setup.py | 54 ++++++++++--- 11 files changed, 266 insertions(+), 24 deletions(-) create mode 100644 .github/workflows/main.yml create mode 100644 .github/workflows/publish-to-pypi.yml create mode 100644 MANIFEST.in create mode 100644 ompy/examples/Dy164_raw.m create mode 100644 ompy/examples/Si28_raw_matrix_compressed.m rename ompy/{examples.py => examples/__init__.py} (88%) rename {src => ompy/stats}/erfinv.hpp (100%) rename {src => ompy/stats}/stats.cpp (99%) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml new file mode 100644 index 00000000..866bc814 --- /dev/null +++ b/.github/workflows/main.yml @@ -0,0 +1,90 @@ +name: main + + +# Automatically cancel a previous run. +concurrency: + group: ${{ github.head_ref || github.run_id }} + cancel-in-progress: true + + +on: + push: + branches: + - workflow # For debugging the workflow.. + - main + - test_release + pull_request: + - '*' +#on: +# push: +# pull_request: +# branches: +# - master +# release: +# types: [published] + +jobs: + + build_sdist: + name: Build SDist + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v3 + + - name: Build SDist + run: pipx run build --sdist + + - name: Check metadata + run: pipx run twine check dist/* + + - uses: actions/upload-artifact@v3 + with: + path: dist/*.tar.gz + + build_wheel: + name: Build wheel on ${{ matrix.os }} + runs-on: ${{ matrix.os }} + strategy: + matrix: + os: ['ubuntu-latest'] + steps: + - uses: actions/checkout@v3 + + - name: Build wheels + uses: pypa/cibuildwheel@v2.12.0 + env: + CIBW_ARCHS_MACOS: x86_64 arm64 + + - uses: actions/upload-artifact@v3 + with: + path: wheelhouse/*.whl + + + upload_test: + name: Upload if test release + needs: [build_sdist, build_wheel] + runs-on: ubuntu-latest + if: github.event_name == 'push' && github.ref == 'refs/heads/test_release' + steps: + - uses: actions/setup-python@v4 + with: + python-version: "3.10" + + - uses: actions/download-artifact@v3 + with: + name: artifact + path: dist + + - uses: pypa/gh-action-pypi-publish@v1.6.4 + with: + name: __token__ + password: ${{ secrets.PYPI_API_TOKEN }} + repository_url: https://test.pypi.org/legacy/ + + + + #test_wheel: + # name: Test wheel on ${{ matrix.os }} + # runs-on: ${{ matrix.os }} + # strategy: + diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml new file mode 100644 index 00000000..b5ef594c --- /dev/null +++ b/.github/workflows/publish-to-pypi.yml @@ -0,0 +1,50 @@ +name: PyPI + +on: push + +jobs: + build-n-publish: + name: Build and publish Python 🐍 distributions 📦 to PyPI + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@master + + - name: Set up Python 3.10 + uses: actions/setup-python@v1 + with: + python-version: "3.10" + + - name: Install build essentials + run: sudo apt install gfortran cmake liblapack-dev libblas-dev libomp-dev libopenmpi-dev + - name: Download and install multinest + run: | + git clone https://github.com/JohannesBuchner/MultiNest + cd MultiNest/build + cmake .. + make + + - name: Install pypa/build + run: >- + python -m + pip install + build twine + --user + - name: Build manylinux Python wheels + uses: RalfG/python-wheels-manylinux-build@v0.6.0-manylinux2014_x86_64 + with: + python-versions: 'cp310-cp310 cp311-cp311' + build-requirements: 'cython numpy pybind11>=2.6.0' + env: + ompy_OpenMP: False + - name: Publish distribution to PyPI + run: | + ls -las dist/ + python -m twine upload --repository testpypi dist/*-manylinux-*.whl + env: + TWINE_USERNAME: __token__ + TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }} + #- name: Publish distribution 📦 to PyPI + # uses: pypa/gh-action-pypi-publish@release/v1 + # with: + # password: ${{ secrets.PYPI_API_TOKEN }} + repository_url: https://test.pypi.org/legacy/ \ No newline at end of file diff --git a/MANIFEST.in b/MANIFEST.in new file mode 100644 index 00000000..f1b25d6a --- /dev/null +++ b/MANIFEST.in @@ -0,0 +1,9 @@ +include LICENSE.md +include README.md +include ompy/decomposition.pyx +include ompy/rebin.pyx +include ompy/gauss_smoothing.pyx +include ompy/stats/stats.cpp +include ompy/stats/erfinv.hpp +include ompy/examples/Dy164_raw.m +include ompy/examples/Si28_raw_matrix_compressed.m \ No newline at end of file diff --git a/ompy/examples/Dy164_raw.m b/ompy/examples/Dy164_raw.m new file mode 100644 index 0000000000000000000000000000000000000000..96daf5dcfd3629aba8f43c356d262c215855c68a GIT 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zi9MS52!FE6_?9D*J(}2~i9MRwqlrD5*rSO(68M%QfsbhYJ(}2~i9MRwqlrD5*rSP$ a@F%;BZ#g3Q?iauQ)%U;s)i1yM?*9jg1vNAP literal 0 HcmV?d00001 diff --git a/ompy/examples.py b/ompy/examples/__init__.py similarity index 88% rename from ompy/examples.py rename to ompy/examples/__init__.py index c699732d..5421765e 100644 --- a/ompy/examples.py +++ b/ompy/examples/__init__.py @@ -1,12 +1,13 @@ import os from typing import Tuple, List -from .matrix import Matrix +from ..matrix import Matrix import numpy as np -EXAMPLES = {'dy164': {'raw': "../../example_data/Dy164_raw.m", + +EXAMPLES = {'dy164': {'raw': "../Dy164_raw.m", # 'response': "../../data/Dy164_response_matrix.m" }, - 'si28': {'raw': "../../example_data/Si28_raw_matrix_compressed.m"} + 'si28': {'raw': "../Si28_raw_matrix_compressed.m"} } DATAPATH = os.path.abspath(__file__) diff --git a/ompy/spinfunctions.py b/ompy/spinfunctions.py index ad2c0b0d..66724fda 100644 --- a/ompy/spinfunctions.py +++ b/ompy/spinfunctions.py @@ -180,7 +180,7 @@ def gDisc_and_EB05(self, mass: int, NLDa: float, Eshift: float, Sn: float, sigma2_Sn = self.gEB05(mass, NLDa, Eshift, Ex=Sn) sigma2_EB05 = lambda Ex: self.gEB05(mass, NLDa, Eshift, Ex=Ex) # noqa x = [sigma2_disc[0], Sn] - y = [sigma2_disc[1], sigma2_EB05(Sn)] + y = [sigma2_disc[1], float(sigma2_EB05(Sn))] sigma2 = interp1d(x, y, bounds_error=False, fill_value=(sigma2_disc[1], sigma2_Sn)) diff --git a/src/erfinv.hpp b/ompy/stats/erfinv.hpp similarity index 100% rename from src/erfinv.hpp rename to ompy/stats/erfinv.hpp diff --git a/src/stats.cpp b/ompy/stats/stats.cpp similarity index 99% rename from src/stats.cpp rename to ompy/stats/stats.cpp index ab11f651..7a12c2d0 100644 --- a/src/stats.cpp +++ b/ompy/stats/stats.cpp @@ -1,11 +1,10 @@ #include #include -#include - #include "erfinv.hpp" + namespace py = pybind11; constexpr double sqrt2 = 1.41421356237309504880168872420969807856967187; diff --git a/pyproject.toml b/pyproject.toml index 95607b45..5ffbe521 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,8 +1,71 @@ [build-system] -requires = [ -"setuptools", -"numpy>=1.20.0", -"cython", -"pybind11>=2.6.0", -"wheel"] +requires = ["setuptools", "numpy>=1.20.0", "cython", "pybind11>=2.6.0", "wheel"] build-backend = "setuptools.build_meta" + +[project] +name = "OMpy" +version = "1.1.0" +authors = [ + {name="Jørgen Eriksson Midtbø", email="jorgenem@gmail.com"}, + {name="Fabio Zeiser", email="fabio.zeiser@fys.uio.no"}, + {name="Erlend Lima", email="erlenlim@fys.uio.no"} +] +maintainers = [ + {name="Erlend Lima", email="erlenlim@fys.uio.no"}, + {name="Vetle Wegner Ingeberg", email="vetlewi@fys.uio.no"} +] + +dependencies = [ +"cython", "numpy>=1.20.0", "pandas", "matplotlib", "termtables", +"pymultinest", "scipy", "uncertainties>=3.0.3", "tqdm", "pathos", "pybind11>=2.6.0"] + +description = "A python implementation of the Oslo method" +readme = "README.md" +requires-python = ">=3.8" +classifiers = [ + "License :: OSI Approved :: GNU General Public License v3 (GPLv3)", + "Programming Language :: Python :: 3", + "Programming Language :: Python :: 3 :: Only", + "Programming Language :: Python :: 3.8", + "Programming Language :: Python :: 3.9", + "Programming Language :: Python :: 3.10", + "Programming Language :: Python :: 3.11", + "Intended Audience :: Science/Research", + "Topic :: Scientific/Engineering :: Physics", + ] + +[project.urls] +"Homepage" = "https://github.com/oslocyclotronlab/ompy" +"Bug Tracker" = "https://github.com/oslocyclotronlab/ompy/issues" + +[tool.cibuildwheel] +build = ["cp310-manylinux_x86_64", + "cp311-manylinux_x86_64", + "cp310-macosx_x86_64", + "cp311-macosx_x86_64", + "cp310-macosx_arm64", + "cp311-macosx_arm64"] + +skip = ["cp36-*", "cp37-*", "cp38-*", "cp39-*", "*-musllinux-*", "pp*"] +test-requires = "pytest" +test-command = "pytest {project}/tests" +test-skip = ["*-macosx_arm64, *-macosx_universal2:arm64", "*-*linux_{aarch64,ppc64le,s390x}"] + +[tool.cibuildwheel.macos] +before-all = [ + "git clone https://github.com/JohannesBuchner/MultiNest", + "cd MultiNest/build", + "cmake ..", + "make" +] +environment = {LD_LIBRARY_PATH="/home/runner/work/ompy/ompy/MultiNest/lib", MACOSX_DEPLOYMENT_TARGET="10.14", FC="/usr/local/bin/gfortran-11"} + +[tool.cibuildwheel.linux] +before-all = [ + "yum -y install blas-devel lapack-devel", + "git clone https://github.com/JohannesBuchner/MultiNest", + "cd MultiNest/build", + "cmake ..", + "make install" +] +environment = {LD_LIBRARY_PATH="/usr/local/lib"} diff --git a/setup.py b/setup.py index e99ba10a..1b9426d5 100755 --- a/setup.py +++ b/setup.py @@ -9,6 +9,11 @@ from ctypes.util import find_library from pybind11.setup_helpers import Pybind11Extension +try: + import wheel.bdist_wheel +except ImportError: + wheel = None + try: from Cython.Build import cythonize from Cython.Distutils import build_ext @@ -108,10 +113,15 @@ def write_version_py(filename='ompy/version_setup.py'): 'git_revision': GIT_REVISION}) finally: a.close() -write_version_py() +try: + write_version_py() +except: + pass # If macOS, use ctypes.util.find_library to determine if OpenMP is avalible. openmp = os.getenv("ompy_OpenMP") +if wheel is not None: # We do not build with OpenMP if wheel + openmp = False if openmp is None and platform.system() == 'Darwin': # Check if macOS if find_library("omp") != None: openmp = True @@ -131,7 +141,7 @@ def write_version_py(filename='ompy/version_setup.py'): if os.path.exists(fname): os.remove(fname) -extra_compile_args = ["-O3", "-ffast-math", "-march=native"] +extra_compile_args = ["-O3"] extra_link_args = [] if openmp and platform.system() == 'Darwin': extra_compile_args.insert(-1, "-Xpreprocessor -fopenmp") @@ -144,8 +154,8 @@ def write_version_py(filename='ompy/version_setup.py'): Extension("ompy.decomposition", ["ompy/decomposition.pyx"], # on MacOS the clang compiler pretends not to support OpenMP, but in fact it does so - extra_compile_args=extra_compile_args, - extra_link_args=extra_link_args, + #extra_compile_args=extra_compile_args, + #extra_link_args=extra_link_args, include_dirs=[numpy.get_include()] ), Extension("ompy.rebin", ["ompy/rebin.pyx"], include_dirs=[numpy.get_include()]), @@ -154,10 +164,8 @@ def write_version_py(filename='ompy/version_setup.py'): ext_modules_pybind11 = [ Pybind11Extension("ompy.stats", - ["src/stats.cpp"], - extra_compile_args=["-std=c++11", "-mfpmath=sse", - "-O3", "-funroll-loops", - "-march=native"]) + ["ompy/stats/stats.cpp"], + extra_compile_args=["-std=c++11", "-O3"]) ] install_requires = [ @@ -174,20 +182,42 @@ def write_version_py(filename='ompy/version_setup.py'): "pybind11>=2.6.0" ] -setup(name='OMpy', - version=get_version_info()[0], +def read_version(): + try: + with open("ompy/version_setup.py") as f: + ns = {} + exec(f.read(), ns) + version = ns["full_version"] + return version + except FileNotFoundError: + return VERSION + +try: + version = get_version_info()[0] +except: + version = read_version() + + +setup(name='ompy', + version=version, author="Jørgen Eriksson Midtbø, Fabio Zeiser, Erlend Lima", author_email=("jorgenem@gmail.com, " "fabio.zeiser@fys.uio.no, " "erlenlim@fys.uio.no"), url="https://github.com/oslocyclotronlab/ompy", - packages=find_packages(), + python_requires=">= 3.8", + packages=['ompy', 'ompy.examples', 'ompy.stats', 'ompy.introspection'], + package_data={ + "ompy": ["decomposition.pyx", "rebin.pyx", "gauss_smoothing.pyx"], + "ompy.stats": ['*.hpp'], + "ompy.examples": ['*.m'] + }, ext_modules=cythonize(ext_modules, compiler_directives={'language_level': "3", 'embedsignature': True}, compile_time_env={"OPENMP": openmp} )+ext_modules_pybind11, zip_safe=False, - install_requires=install_requires + setup_requires=["cython", "numpy>=1.20.0", "pybind11>=2.6.0"] ) From 6eb352a2c47edd957fe2f2faee7009e194763c38 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 15:04:21 +0100 Subject: [PATCH 39/41] 'hopefully' final version of the workflow This should be the final update to ensure that the workflow works as intended. There is still the need to change the pypi_password once it merges into the official repo. I've also updated the release notes. --- .github/workflows/main.yml | 24 +++++++++---- .github/workflows/publish-to-pypi.yml | 50 --------------------------- release_note.md | 2 ++ 3 files changed, 19 insertions(+), 57 deletions(-) delete mode 100644 .github/workflows/publish-to-pypi.yml diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 866bc814..650630aa 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -46,7 +46,7 @@ jobs: runs-on: ${{ matrix.os }} strategy: matrix: - os: ['ubuntu-latest'] + os: ['ubuntu-latest', 'macos-latest'] steps: - uses: actions/checkout@v3 @@ -81,10 +81,20 @@ jobs: password: ${{ secrets.PYPI_API_TOKEN }} repository_url: https://test.pypi.org/legacy/ - - - #test_wheel: - # name: Test wheel on ${{ matrix.os }} - # runs-on: ${{ matrix.os }} - # strategy: + upload: + name: Upload if new release + needs: [build_sdist, build_wheel] + runs-on: ubuntu-latest + if: github.event_name == 'release' && github.event.action == 'published' + + steps: + - uses: actions/download-artifact@v3 + with: + name: artifact + path: dist + + - uses: pypa/gh-action-pypi-publish@v1.5.0 + with: + user: __token__ + password: ${{ secrets.pypi_password }} diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml deleted file mode 100644 index b5ef594c..00000000 --- a/.github/workflows/publish-to-pypi.yml +++ /dev/null @@ -1,50 +0,0 @@ -name: PyPI - -on: push - -jobs: - build-n-publish: - name: Build and publish Python 🐍 distributions 📦 to PyPI - runs-on: ubuntu-latest - steps: - - uses: actions/checkout@master - - - name: Set up Python 3.10 - uses: actions/setup-python@v1 - with: - python-version: "3.10" - - - name: Install build essentials - run: sudo apt install gfortran cmake liblapack-dev libblas-dev libomp-dev libopenmpi-dev - - name: Download and install multinest - run: | - git clone https://github.com/JohannesBuchner/MultiNest - cd MultiNest/build - cmake .. - make - - - name: Install pypa/build - run: >- - python -m - pip install - build twine - --user - - name: Build manylinux Python wheels - uses: RalfG/python-wheels-manylinux-build@v0.6.0-manylinux2014_x86_64 - with: - python-versions: 'cp310-cp310 cp311-cp311' - build-requirements: 'cython numpy pybind11>=2.6.0' - env: - ompy_OpenMP: False - - name: Publish distribution to PyPI - run: | - ls -las dist/ - python -m twine upload --repository testpypi dist/*-manylinux-*.whl - env: - TWINE_USERNAME: __token__ - TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }} - #- name: Publish distribution 📦 to PyPI - # uses: pypa/gh-action-pypi-publish@release/v1 - # with: - # password: ${{ secrets.PYPI_API_TOKEN }} - repository_url: https://test.pypi.org/legacy/ \ No newline at end of file diff --git a/release_note.md b/release_note.md index f39db715..2bf7467f 100644 --- a/release_note.md +++ b/release_note.md @@ -11,6 +11,8 @@ Changed: - Fixed a bug where the `std` attribute of `Vector` was not saved to file. - Reimplemented PPF for normal distribution and truncated normal distribution in C++ for improved performance (about 300% faster than the SciPy implementation!). - Fixed a potential bug where `units` attribute is set erroniously when reading the discrete level density from file (`load_levels_discrete` and `load_levels_discrete_smooth`). +- Moved example data to the source folder such that they are distributed with the package and avalible regardless of if OMpy is installed with `-e` option or not. +- Source code for the `ompy.stats` sublibrary now lives in the `ompy` folder. Deprecated: - `shape` argument of Matrix for creation of a matrix filled with zeros. Use `ZerosMatrix` instead. From 22885f3e942bc1de934e9a74d830a678fe8dc6c3 Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 15:07:01 +0100 Subject: [PATCH 40/41] Stupid indentation error! --- .github/workflows/main.yml | 32 ++++++++++++++++---------------- 1 file changed, 16 insertions(+), 16 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 650630aa..90544461 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -81,20 +81,20 @@ jobs: password: ${{ secrets.PYPI_API_TOKEN }} repository_url: https://test.pypi.org/legacy/ - upload: - name: Upload if new release - needs: [build_sdist, build_wheel] - runs-on: ubuntu-latest - if: github.event_name == 'release' && github.event.action == 'published' - - steps: - - uses: actions/download-artifact@v3 - with: - name: artifact - path: dist - - - uses: pypa/gh-action-pypi-publish@v1.5.0 - with: - user: __token__ - password: ${{ secrets.pypi_password }} + upload: + name: Upload if new release + needs: [build_sdist, build_wheel] + runs-on: ubuntu-latest + if: github.event_name == 'release' && github.event.action == 'published' + + steps: + - uses: actions/download-artifact@v3 + with: + name: artifact + path: dist + + - uses: pypa/gh-action-pypi-publish@v1.5.0 + with: + user: __token__ + password: ${{ secrets.pypi_password }} From 8a2bb8ace08aab5ce3f4cd698309d6ed8732193e Mon Sep 17 00:00:00 2001 From: "Vetle W. Ingeberg" Date: Tue, 17 Jan 2023 16:26:54 +0100 Subject: [PATCH 41/41] Removed `publish-to-pypi` script and set the correct triggers for the CI script --- .github/workflows/main.yml | 18 ++++------ .github/workflows/publish-to-pypi.yml | 50 --------------------------- 2 files changed, 6 insertions(+), 62 deletions(-) delete mode 100644 .github/workflows/publish-to-pypi.yml diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 6000c2c9..1d649241 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -10,18 +10,12 @@ concurrency: on: push: branches: - - workflow # For debugging the workflow.. - - main - - test_release - pull_request: - - '*' -#on: -# push: -# pull_request: -# branches: -# - master -# release: -# types: [published] + - master + pull_request: + branches: + - master + release: + types: [published] jobs: diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml deleted file mode 100644 index b5ef594c..00000000 --- a/.github/workflows/publish-to-pypi.yml +++ /dev/null @@ -1,50 +0,0 @@ -name: PyPI - -on: push - -jobs: - build-n-publish: - name: Build and publish Python 🐍 distributions 📦 to PyPI - runs-on: ubuntu-latest - steps: - - uses: actions/checkout@master - - - name: Set up Python 3.10 - uses: actions/setup-python@v1 - with: - python-version: "3.10" - - - name: Install build essentials - run: sudo apt install gfortran cmake liblapack-dev libblas-dev libomp-dev libopenmpi-dev - - name: Download and install multinest - run: | - git clone https://github.com/JohannesBuchner/MultiNest - cd MultiNest/build - cmake .. - make - - - name: Install pypa/build - run: >- - python -m - pip install - build twine - --user - - name: Build manylinux Python wheels - uses: RalfG/python-wheels-manylinux-build@v0.6.0-manylinux2014_x86_64 - with: - python-versions: 'cp310-cp310 cp311-cp311' - build-requirements: 'cython numpy pybind11>=2.6.0' - env: - ompy_OpenMP: False - - name: Publish distribution to PyPI - run: | - ls -las dist/ - python -m twine upload --repository testpypi dist/*-manylinux-*.whl - env: - TWINE_USERNAME: __token__ - TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }} - #- name: Publish distribution 📦 to PyPI - # uses: pypa/gh-action-pypi-publish@release/v1 - # with: - # password: ${{ secrets.PYPI_API_TOKEN }} - repository_url: https://test.pypi.org/legacy/ \ No newline at end of file