diff --git a/.github/workflows/build_packages.yml b/.github/workflows/build_packages.yml new file mode 100644 index 0000000..3baa4d7 --- /dev/null +++ b/.github/workflows/build_packages.yml @@ -0,0 +1,56 @@ +name: Build Packages + +concurrency: + group: ${{ github.workflow }}-${{ github.ref }} + cancel-in-progress: true + +on: + pull_request: + workflow_dispatch: + push: + branches: + - stable +jobs: + build: + strategy: + fail-fast: false + matrix: + os: [ubuntu-latest, macos-13, macos-latest, windows-latest] + recipe: [symmetry] + runs-on: ${{ matrix.os }} + defaults: + run: + shell: bash -l {0} + steps: + - uses: actions/checkout@v4 + - name: Setup Conda + uses: conda-incubator/setup-miniconda@v3 + with: + auto-update-conda: false + conda-solver: libmamba + auto-activate-base: true + activate-environment: "" + - name: Install Build Tools + run: conda install python anaconda-client conda-build + - name: Configure Auto-Upload + if: github.ref == 'refs/heads/stable' + run: | + conda config --set anaconda_upload yes + - name: Build Binary + run: | + # set a default value to the conda_token if needed (like from forks) + : "${CONDA_TOKEN:=${{ secrets.ANACONDA_TOKEN }}}" + : "${CONDA_TOKEN:=default_value}" + echo "CONDA_TOKEN=$CONDA_TOKEN" >> $GITHUB_ENV + conda config --add channels conda-forge + conda config --add channels rmg + conda build --token $CONDA_TOKEN --user rmg ${{ matrix.recipe }} + result: + if: ${{ always() }} + runs-on: ubuntu-latest + name: Final Results + needs: [build] + steps: + - run: exit 1 + # see https://github.com/orgs/community/discussions/26822?sort=new#discussioncomment-8285141 + if: ${{ contains(needs.*.result, 'failure') || contains(needs.*.result, 'cancelled') || contains(needs.*.result, 'skipped') }} diff --git a/.gitignore b/.gitignore index 877fd08..e69de29 100644 --- a/.gitignore +++ b/.gitignore @@ -1,3 +0,0 @@ -*~ -*.swp -*.idea/ diff --git a/CoolProp/bld.bat b/CoolProp/bld.bat deleted file mode 100644 index 64b6031..0000000 --- a/CoolProp/bld.bat +++ /dev/null @@ -1,14 +0,0 @@ -:: # CAUTION: This file is generated automatically, any customisation will be lost. -copy "%PREFIX%\..\..\libs\libpython27.a" "%PREFIX%\libs\libpython27.a" -copy "%PREFIX%\..\..\Lib\distutils\distutils.cfg" "%PREFIX%\Lib\distutils\distutils.cfg" - -pushd wrappers\Python -"%PYTHON%" setup.py install -if errorlevel 1 exit 1 -popd - -:: Add more build steps here, if they are necessary. - -:: See -:: http://docs.continuum.io/conda/build.html -:: for a list of environment variables that are set during the build process. diff --git a/CoolProp/build.sh b/CoolProp/build.sh deleted file mode 100644 index 009d893..0000000 --- a/CoolProp/build.sh +++ /dev/null @@ -1,12 +0,0 @@ -#!/bin/bash -# CAUTION: This file is generated automatically, any customisation will be lost. - -pushd wrappers/Python -$PYTHON setup.py install -popd - -# Add more build steps here, if they are necessary. - -# See -# http://docs.continuum.io/conda/build.html -# for a list of environment variables that are set during the build process. diff --git a/CoolProp/meta.yaml b/CoolProp/meta.yaml deleted file mode 100644 index 7ba9be2..0000000 --- a/CoolProp/meta.yaml +++ /dev/null @@ -1,66 +0,0 @@ -# CAUTION: This file is generated automatically, any customisation will be lost. - -package: - name: coolprop - version: 6.0.1dev - - -source: - git_url: https://github.com/CoolProp/CoolProp.git - - -#build: -# script: python setup.py install [not win] -# script: "%PYTHON%" setup.py install & if errorlevel 1 exit 1 [win] - - # If this is a new build for the same version, increment the build - # number. If you do not include this key, it defaults to 0. - # number: 1 - -requirements: - build: - - python - - setuptools - - numpy - - scipy - - matplotlib - - pandas - - cython - - run: - - python - - numpy - - scipy - - matplotlib - - pandas - -test: - # Python imports - imports: - - CoolProp -# #- CoolProp.GUI -# #- CoolProp.Plots -# - CoolProp.tests - - # commands: - # You can put test commands to be run here. Use this to test that the - # entry points work. - - - # You can also put a file called run_test.py in the recipe that will be run - # at test time. - - requires: - # Put any additional test requirements here. For example - # - nose - - numpy - - scipy - - matplotlib - - pandas - - cython - - nose - -about: - home: http://www.coolprop.org - license: MIT - summary: Open-source thermodynamic and transport properties database diff --git a/README.md b/README.md index c63001f..a040b71 100644 --- a/README.md +++ b/README.md @@ -1,12 +1,8 @@ # Conda Recipes for RMG-Py dependencies -Example recipes for the new conda build system. Use +Example recipes for the conda build system. +Run `conda build `. - conda build - -You have to use conda >= 1.7 -[conda](https://github.com/continuumio/conda). - -See http://docs.continuum.io/conda/build.html for information on how to make a recipe, -or just look at the examples here. +You have to use `conda >= 23.1.0` - see the [installation instructions](https://docs.anaconda.com/free/anaconda/install/). +See [the `conda` documentation](https://docs.conda.io/projects/conda-build/en/latest/user-guide/tutorials/build-pkgs.html) for information on how to make a recipe or just look at the examples here. diff --git a/cairo/bld.bat b/cairo/bld.bat deleted file mode 100644 index 4a32887..0000000 --- a/cairo/bld.bat +++ /dev/null @@ -1,37 +0,0 @@ -setlocal enableextensions enabledelayedexpansion - -@echo off - -:: Setting variables in Cygwin style -set LIBRARY_INC_CW=!LIBRARY_INC:\=/! -set LIBRARY_INC_CW=!LIBRARY_INC_CW::=! -set LIBRARY_INC_CW=/%LIBRARY_INC_CW% - -set LIBRARY_LIB_CW=!LIBRARY_LIB:\=/! -set LIBRARY_LIB_CW=!LIBRARY_LIB_CW::=! -set LIBRARY_LIB_CW=/%LIBRARY_LIB_CW% - -:: Compiling -mingw32-make -f Makefile.win32 CFG=release ^ - PIXMAN_CFLAGS=-I%LIBRARY_INC_CW%/pixman ^ - PIXMAN_LIBS=%LIBRARY_LIB_CW%/pixman-1.lib ^ - ZLIB_CFLAGS=-I%LIBRARY_INC_CW% ^ - LIBPNG_CFLAGS=-I%LIBRARY_INC_CW% ^ - CAIRO_LIBS='gdi32.lib msimg32.lib user32.lib %LIBRARY_LIB_CW%/libpng.lib %LIBRARY_LIB_CW%/zlib.lib' - -:: Installing -set CAIRO_INC=%LIBRARY_INC%\cairo -mkdir %CAIRO_INC% -move cairo-version.h %CAIRO_INC% -move src\cairo-features.h %CAIRO_INC% -move src\cairo.h %CAIRO_INC% -move src\cairo-deprecated.h %CAIRO_INC% -move src\cairo-win32.h %CAIRO_INC% -move src\cairo-script.h %CAIRO_INC% -move src\cairo-ps.h %CAIRO_INC% -move src\cairo-pdf.h %CAIRO_INC% -move src\cairo-svg.h %CAIRO_INC% - -move src\release\cairo.dll %LIBRARY_BIN% -move src\release\cairo.lib %LIBRARY_LIB% -move src\release\cairo-static.lib %LIBRARY_LIB% diff --git a/cairo/build.sh b/cairo/build.sh deleted file mode 100644 index d47a282..0000000 --- a/cairo/build.sh +++ /dev/null @@ -1,30 +0,0 @@ -#!/bin/bash - -export CFLAGS="-I$PREFIX/include -L$PREFIX/lib" - -# As of Mac OS 10.8, X11 is no longer included by default -# (See https://support.apple.com/en-us/HT201341 for the details). -# Due to this change, we disable building X11 support for cairo on Mac by -# default. -export XWIN_ARGS="" -if [ `uname` == Darwin ]; then - export XWIN_ARGS="--disable-xlib -disable-xcb --disable-glitz" -fi - - -./configure \ - --prefix=$PREFIX \ - --disable-static \ - --disable-gobject \ - --enable-warnings \ - --enable-ft \ - --enable-ps \ - --enable-pdf \ - --enable-svg \ - --disable-gtk-doc \ - $XWIN_ARGS - -make -make install - -rm -rf $PREFIX/share diff --git a/cairo/meta.yaml b/cairo/meta.yaml deleted file mode 100644 index f3ec5e1..0000000 --- a/cairo/meta.yaml +++ /dev/null @@ -1,44 +0,0 @@ -package: - name: cairo - version: 1.12.18 [unix] - version: 1.12.0 [win] - -source: - fn: cairo-1.12.18.tar.xz [unix] - url: http://cairographics.org/releases/cairo-1.12.18.tar.xz [unix] - md5: 8e4ff32b82c3b39387eb6f5c59ef848e [unix] - - fn: cairo-1.12.0.tar.gz [win] - url: http://cairographics.org/releases/cairo-1.12.0.tar.gz [win] - - -build: - number: 0 [win or osx] - number: 3 [linux] - features: - - vc9 [win and py27] - - vc10 [win and py34] - - vc14 [win and py35] - -requirements: - build: - # HACK: The python dep is here to get vc features to work - - python [win] - - pkg-config [osx] - - xz [unix] - - freetype 2.5.* [unix] - - fontconfig 2.11.* [linux] - - pixman 0.32.* - - libpng 1.6.* - - zlib 1.2.* - run: - - freetype 2.5.* [unix] - - fontconfig 2.11.* [linux] - - libpng 1.6.* - - pixman 0.32.* - - zlib 1.2.* - -about: - home: http://cairographics.org/ - license: LGPL 2.1, MPL 1.1 - summary: Cairo is a 2D graphics library with support for multiple output devices. diff --git a/cairocffi/bld.bat b/cairocffi/bld.bat deleted file mode 100644 index 87b1481..0000000 --- a/cairocffi/bld.bat +++ /dev/null @@ -1,8 +0,0 @@ -"%PYTHON%" setup.py install -if errorlevel 1 exit 1 - -:: Add more build steps here, if they are necessary. - -:: See -:: http://docs.continuum.io/conda/build.html -:: for a list of environment variables that are set during the build process. diff --git a/cairocffi/build.sh b/cairocffi/build.sh deleted file mode 100644 index 23d4c8c..0000000 --- a/cairocffi/build.sh +++ /dev/null @@ -1,7 +0,0 @@ -#!/bin/bash -$PYTHON setup.py install --single-version-externally-managed --root / -# Add more build steps here, if they are necessary. - -# See -# http://docs.continuum.io/conda/build.html -# for a list of environment variables that are set during the build process. diff --git a/cairocffi/meta.yaml b/cairocffi/meta.yaml deleted file mode 100644 index 7f92281..0000000 --- a/cairocffi/meta.yaml +++ /dev/null @@ -1,44 +0,0 @@ -package: - name: cairocffi - version: "0.6" - -source: - fn: cairocffi-0.6.tar.gz - url: https://pypi.python.org/packages/source/c/cairocffi/cairocffi-0.6.tar.gz - md5: af0e93b31be42a8f2be23b1234336496 - patches: - - search-conda-libs.diff - -build: - # If this is a new build for the same version, increment the build - # number. If you do not include this key, it defaults to 0. - number: 1 - -requirements: - build: - - python - - setuptools - - cffi >=0.6 - - run: - - python - - cffi >=0.6 - - cairo - -test: - # Python imports - imports: - - cairocffi - - requires: - - pytest - - nose - -about: - home: https://github.com/SimonSapin/cairocffi - license: BSD License - summary: 'cffi-based cairo bindings for Python' - -# See -# http://docs.continuum.io/conda/build.html for -# more information about meta.yaml diff --git a/cairocffi/run_test.sh b/cairocffi/run_test.sh deleted file mode 100644 index 7a7bda1..0000000 --- a/cairocffi/run_test.sh +++ /dev/null @@ -1,4 +0,0 @@ - -#cp $SRC_DIR/cairocffi/test_cairo.py ./ -sed -e "s/^from . import/from cairocffi import/g" -e "s/^from \./from cairocffi./g" $SRC_DIR/cairocffi/test_cairo.py > test_cairo.py -nosetests -P test_cairo.py diff --git a/cairocffi/search-conda-libs.diff b/cairocffi/search-conda-libs.diff deleted file mode 100644 index 7206b34..0000000 --- a/cairocffi/search-conda-libs.diff +++ /dev/null @@ -1,17 +0,0 @@ -To avoid the need to set LD_LIBRARY_PATH or whatever, we make the script -also search the anaconda environments /lib folder. - -diff --git a/cairocffi/__init__.py b/cairocffi/__init__.py -index 2b8f82b..6b67d8b 100644 ---- cairocffi/__init__.py -+++ cairocffi/__init__.py -@@ -38,6 +38,11 @@ ffi = FFI() - ffi.cdef(constants._CAIRO_HEADERS) - CAIRO_NAMES = ['libcairo.so.2', 'libcairo.2.dylib', 'libcairo-2.dll', - 'cairo', 'libcairo-2'] -+# Also search in anaconda folder, for the purposes of conda environments only -+import os -+CAIRO_NAMES.extend( -+ [os.path.join('/opt/anaconda1anaconda2anaconda3','lib',name) -+ for name in CAIRO_NAMES]) - cairo = dlopen(ffi, *CAIRO_NAMES) diff --git a/cclib/build.sh b/cclib/build.sh deleted file mode 100644 index 0242cfd..0000000 --- a/cclib/build.sh +++ /dev/null @@ -1,11 +0,0 @@ -#!/bin/bash - -$PYTHON setup.py build -$PYTHON setup.py install - - -# Add more build steps here, if they are necessary. - -# See -# http://docs.continuum.io/conda/build.html -# for a list of environment variables that are set during the build process. diff --git a/cclib/meta.yaml b/cclib/meta.yaml deleted file mode 100644 index 4c86191..0000000 --- a/cclib/meta.yaml +++ /dev/null @@ -1,33 +0,0 @@ -# This file created by conda-build 2.1.13 -# -# This file, and the associated build.sh file do -# not appear to work on later versions of -# conda-build -# ------------------------------------------------ - -package: - name: cclib - version: '1.5.3' -source: - git_url: https://github.com/cclib/cclib.git - -requirements: - build: - - python - run: - - python - - numpy -test: - imports: - - cclib - - cclib.io - - cclib.bridge - - cclib.method - - cclib.parser - - cclib.progress -about: - home: http://cclib.github.io/ - license: GNU Library or Lesser General Public License (LGPL) - summary: 'cclib: parsers and algorithms for computational chemistry' -extra: - final: true diff --git a/diffeqpy/build.sh b/diffeqpy/build.sh deleted file mode 100644 index d571d98..0000000 --- a/diffeqpy/build.sh +++ /dev/null @@ -1,4 +0,0 @@ -export LDFLAGS="-headerpad_max_install_names" -python -m pip install --no-deps --ignore-installed . -#julia -e "using Pkg; Pkg.add(\"SpecialFunctions\"); Pkg.build(\"SpecialFunctions\")" -#python -c "import diffeqpy; diffeqpy.install();" diff --git a/diffeqpy/meta.yaml b/diffeqpy/meta.yaml deleted file mode 100644 index d502888..0000000 --- a/diffeqpy/meta.yaml +++ /dev/null @@ -1,41 +0,0 @@ -{% set version = "1.1.0" %} -{% set name = "diffeqpy" %} - -package: - name: diffeqpy - version: {{ version }} - -source: - fn: {{ name }}-{{ version }}.tar.gz - url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz - sha256: 0ff315bf3d4345a83dc623b614e39c8365302df1cc9d36dcb8ce782d926f255b - -build: - number: '1' - string: rmg_1 - -requirements: - build: - - python=3.7 - - pip - - julia>1 - - pyjulia - run: - - python=3.7 - - julia>1 - - pyjulia - -test: - imports: - - diffeqpy - #commands: - # - python -c "from julia.api import Julia; jl = Julia(compiled_modules=False); from diffeqpy import de" - # - python-jl -c "from diffeqpy import de" - -about: - home: https://github.com/SciML/diffeqpy - license: MIT - license_file: 'LICENSE.md' - license_family: MIT - summary: "python interface to julia DifferentialEquations" - diff --git a/eigen/build.sh b/eigen/build.sh deleted file mode 100644 index 2216cf8..0000000 --- a/eigen/build.sh +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh -mkdir build -cd build - -cmake -DCMAKE_INSTALL_PREFIX=$PREFIX .. - -make -make install diff --git a/eigen/meta.yaml b/eigen/meta.yaml deleted file mode 100644 index cd74f09..0000000 --- a/eigen/meta.yaml +++ /dev/null @@ -1,16 +0,0 @@ -package: - name: eigen - version: 3.2.1 - -source: - fn: eigen-3.2.1.tar.gz - url: http://bitbucket.org/eigen/eigen/get/3.2.1.tar.gz - -requirements: - build: - - cmake - - gcc ==4.8.2 - -about: - home: http://eigen.tuxfamily.org - license: MPL2 diff --git a/fontconfig/build.sh b/fontconfig/build.sh deleted file mode 100644 index 69a31fd..0000000 --- a/fontconfig/build.sh +++ /dev/null @@ -1,16 +0,0 @@ -#!/bin/bash - -sed s:'@PREFIX@':"$PREFIX":g -i src/fccfg.c - -chmod +x configure -./configure --prefix $PREFIX --enable-libxml2 --disable-docs - -make -make install - -# Remove computed cache with local fonts -rm -Rf $PREFIX/var/cache/fontconfig - -# Leave cache directory, in case it's needed -mkdir -p $PREFIX/var/cache/fontconfig -touch $PREFIX/var/cache/fontconfig/.leave diff --git a/fontconfig/fc-cache.patch b/fontconfig/fc-cache.patch deleted file mode 100644 index 0012259..0000000 --- a/fontconfig/fc-cache.patch +++ /dev/null @@ -1,11 +0,0 @@ ---- fc-cache/fc-cache.c -+++ fc-cache/fc-cache.c -@@ -388,7 +388,7 @@ main (int argc, char **argv) - list = FcStrListCreate (updateDirs); - if (list) - { -- ret += scanDirs (list, config, FcTrue, really_force, verbose, FcFalse, &changed, NULL); -+ ret += scanDirs (list, config, FcTrue, FcFalse, verbose, FcFalse, &changed, NULL); - FcStrListDone (list); - } - FcStrSetDestroy (updateDirs); diff --git a/fontconfig/fcf.patch b/fontconfig/fcf.patch deleted file mode 100644 index e1bf199..0000000 --- a/fontconfig/fcf.patch +++ /dev/null @@ -1,15 +0,0 @@ -diff --git src/fccfg.c src/fccfg.c -index 6377fd7..8175f85 100644 ---- src/fccfg.c -+++ src/fccfg.c -@@ -1830,9 +1830,7 @@ DllMain (HINSTANCE hinstDLL, - - #endif /* !_WIN32 */ - --#ifndef FONTCONFIG_FILE --#define FONTCONFIG_FILE "fonts.conf" --#endif -+#define FONTCONFIG_FILE "@PREFIX@/etc/fonts/fonts.conf" - - static FcChar8 * - FcConfigFileExists (const FcChar8 *dir, const FcChar8 *file) diff --git a/fontconfig/meta.yaml b/fontconfig/meta.yaml deleted file mode 100644 index eab40dd..0000000 --- a/fontconfig/meta.yaml +++ /dev/null @@ -1,30 +0,0 @@ -package: - name: fontconfig - version: 2.11.1 - -source: - fn: fontconfig-2.11.1.tar.bz2 - url: http://www.freedesktop.org/software/fontconfig/release/fontconfig-2.11.1.tar.bz2 - md5: 824d000eb737af6e16c826dd3b2d6c90 - patches: - - fc-cache.patch # [linux] - - fcf.patch # [linux] - -build: - number: 4 - binary_has_prefix_files: # [linux] - - lib/libfontconfig.so.1.8.0 # [linux] - -requirements: - build: - - freetype >=2.5.2 - - libxml2 - - libpng - run: - - freetype >=2.5.2 - - libxml2 - - libpng - -about: - home: http://www.freedesktop.org/wiki/Software/fontconfig/ - license: BSD diff --git a/gprof2dot/bld.bat b/gprof2dot/bld.bat deleted file mode 100644 index 87b1481..0000000 --- a/gprof2dot/bld.bat +++ /dev/null @@ -1,8 +0,0 @@ -"%PYTHON%" setup.py install -if errorlevel 1 exit 1 - -:: Add more build steps here, if they are necessary. - -:: See -:: http://docs.continuum.io/conda/build.html -:: for a list of environment variables that are set during the build process. diff --git a/gprof2dot/build.sh b/gprof2dot/build.sh deleted file mode 100644 index 4d7fc03..0000000 --- a/gprof2dot/build.sh +++ /dev/null @@ -1,9 +0,0 @@ -#!/bin/bash - -$PYTHON setup.py install - -# Add more build steps here, if they are necessary. - -# See -# http://docs.continuum.io/conda/build.html -# for a list of environment variables that are set during the build process. diff --git a/gprof2dot/meta.yaml b/gprof2dot/meta.yaml deleted file mode 100644 index 55d42d6..0000000 --- a/gprof2dot/meta.yaml +++ /dev/null @@ -1,62 +0,0 @@ -package: - name: gprof2dot - version: "2015.02.03" - -source: - fn: gprof2dot-2015.02.03.tar.gz - url: https://pypi.python.org/packages/source/g/gprof2dot/gprof2dot-2015.02.03.tar.gz - md5: b026772f1cc8f7f203143855e0316443 -# patches: - # List any patch files here - # - fix.patch - -build: - # preserve_egg_dir: True - entry_points: - # Put any entry points (scripts to be generated automatically) here. The - # syntax is module:function. For example - # - # - gprof2dot = gprof2dot:main - # - # Would create an entry point called gprof2dot that calls gprof2dot.main() - - - gprof2dot=gprof2dot:main - - # If this is a new build for the same version, increment the build - # number. If you do not include this key, it defaults to 0. - # number: 1 - -requirements: - build: - - python - - setuptools - - run: - - python - -test: - # Python imports - imports: - - gprof2dot - - commands: - # You can put test commands to be run here. Use this to test that the - # entry points work. - - - gprof2dot --help - - # You can also put a file called run_test.py in the recipe that will be run - # at test time. - - # requires: - # Put any additional test requirements here. For example - # - nose - -about: - home: https://code.google.com/p/jrfonseca/wiki/Gprof2Dot - license: LGPL - summary: 'Generate a dot graph from the output of several profilers.' - -# See -# http://docs.continuum.io/conda/build.html for -# more information about meta.yaml diff --git a/guppy/bld.bat b/guppy/bld.bat deleted file mode 100644 index 87b1481..0000000 --- a/guppy/bld.bat +++ /dev/null @@ -1,8 +0,0 @@ -"%PYTHON%" setup.py install -if errorlevel 1 exit 1 - -:: Add more build steps here, if they are necessary. - -:: See -:: http://docs.continuum.io/conda/build.html -:: for a list of environment variables that are set during the build process. diff --git a/guppy/build.sh b/guppy/build.sh deleted file mode 100644 index 4d7fc03..0000000 --- a/guppy/build.sh +++ /dev/null @@ -1,9 +0,0 @@ -#!/bin/bash - -$PYTHON setup.py install - -# Add more build steps here, if they are necessary. - -# See -# http://docs.continuum.io/conda/build.html -# for a list of environment variables that are set during the build process. diff --git a/guppy/meta.yaml b/guppy/meta.yaml deleted file mode 100644 index 84d01d7..0000000 --- a/guppy/meta.yaml +++ /dev/null @@ -1,65 +0,0 @@ -package: - name: guppy - version: "0.1.10" - -source: - fn: guppy-0.1.10.tar.gz - url: https://pypi.python.org/packages/source/g/guppy/guppy-0.1.10.tar.gz - md5: 08942f467160a3559f76ea622256d699 -# patches: - # List any patch files here - # - fix.patch - -# build: - # preserve_egg_dir: True - # entry_points: - # Put any entry points (scripts to be generated automatically) here. The - # syntax is module:function. For example - # - # - guppy = guppy:main - # - # Would create an entry point called guppy that calls guppy.main() - - - # If this is a new build for the same version, increment the build - # number. If you do not include this key, it defaults to 0. - # number: 1 - -requirements: - build: - - python - - run: - - python - -test: - # Python imports - imports: - - guppy - - guppy.doc - - guppy.etc - - guppy.gsl - - guppy.heapy - - guppy.heapy.test - - guppy.sets - - # commands: - # You can put test commands to be run here. Use this to test that the - # entry points work. - - - # You can also put a file called run_test.py in the recipe that will be run - # at test time. - - # requires: - # Put any additional test requirements here. For example - # - nose - -about: - home: http://guppy-pe.sourceforge.net - license: MIT - summary: 'Guppy-PE -- A Python Programming Environment' - -# See -# http://docs.continuum.io/conda/build.html for -# more information about meta.yaml diff --git a/julia/build.sh b/julia/build.sh deleted file mode 100644 index 9d24efd..0000000 --- a/julia/build.sh +++ /dev/null @@ -1,108 +0,0 @@ -#!/bin/sh - -#make julia directory -mkdir -p ${PREFIX}/share/julia/site -mkdir -p ${PREFIX}/bin -#set JULIA_DEPOT_PATH in conda env -export JULIA_DEPOT_PATH="${PREFIX}/share/julia/site" -ACTIVATE_ENV="${PREFIX}/etc/conda/activate.d/env_vars.sh" -DEACTIVATE_ENV="${PREFIX}/etc/conda/deactivate.d/env_vars.sh" - -if [ -f "$ACTIVATE_ENV" ]; then - echo "export JULIA_DEPOT_PATH=\"${PREFIX}/share/julia/site\"" >> $ACTIVATE_ENV - echo "export JULIA_OLD_LD_LIBRARY_PATH=$LD_LIBRARY_PATH" >> $ACTIVATE_ENV - echo "export LD_LIBRARY_PATH=\"${PREFIX}/lib\"" >> $ACTIVATE_ENV -else - mkdir -p ${PREFIX}/etc/conda/activate.d - touch ${PREFIX}/etc/conda/activate.d/env_vars.sh - echo '#!/bin/sh' >> $ACTIVATE_ENV - echo "export JULIA_DEPOT_PATH=\"${PREFIX}/share/julia/site\"" >> $ACTIVATE_ENV - echo "export JULIA_OLD_LD_LIBRARY_PATH=$LD_LIBRARY_PATH" >> $ACTIVATE_ENV - echo "export LD_LIBRARY_PATH=\"${PREFIX}/lib\"" >> $ACTIVATE_ENV -fi -if [ -f "$DEACTIVATE_ENV" ]; then - echo "unset JULIA_DEPOT_PATH" >> $DEACTIVATE_ENV - echo "export LD_LIBRARY_PATH=$JULIA_OLD_LD_LIBRARY_PATH" >> $DEACTIVATE_ENV - echo "unset JULIA_OLD_LD_LIBRARY_PATH" >> $DEACTIVATE_ENV -else - mkdir -p ${PREFIX}/etc/conda/deactivate.d - touch ${PREFIX}/etc/conda/deactivate.d/env_vars.sh - echo '#!/bin/sh' >> $DEACTIVATE_ENV - echo "unset JULIA_DEPOT_PATH" >> $DEACTIVATE_ENV - echo "export LD_LIBRARY_PATH=$JULIA_OLD_LD_LIBRARY_PATH" >> $DEACTIVATE_ENV - echo "unset JULIA_OLD_LD_LIBRARY_PATH" >> $DEACTIVATE_ENV -fi - -#Modified from the Julia developers' julia-install.sh script -set -e -VERSION="1.6.7" - -case "$VERSION" in - nightly) - BASEURL="https://julialangnightlies-s3.julialang.org/bin" - JULIANAME="julia-latest" - ;; - [0-9]*.[0-9]*.[0-9]*) - BASEURL="https://julialang-s3.julialang.org/bin" - SHORTVERSION="$(echo "$VERSION" | grep -Eo '^[0-9]+\.[0-9]+')" - JULIANAME="$SHORTVERSION/julia-$VERSION" - ;; - [0-9]*.[0-9]) - BASEURL="https://julialang-s3.julialang.org/bin" - SHORTVERSION="$(echo "$VERSION" | grep -Eo '^[0-9]+\.[0-9]+')" - JULIANAME="$SHORTVERSION/julia-$VERSION-latest" - ;; - *) - echo "Unrecognized VERSION=$VERSION, exiting" - exit 1 - ;; -esac - -case $(uname) in - Linux) - case $(uname -m) in - x86_64) - ARCH="x64" - case "$JULIANAME" in - julia-latest) - SUFFIX="linux64" - ;; - *) - SUFFIX="linux-x86_64" - ;; - esac - ;; - i386 | i486 | i586 | i686) - ARCH="x86" - case "$JULIANAME" in - julia-latest) - SUFFIX="linux32" - ;; - *) - SUFFIX="linux-i686" - ;; - esac - ;; - *) - echo "Do not have Julia binaries for this architecture, exiting" - exit 1 - ;; - esac - echo "$BASEURL/linux/$ARCH/$JULIANAME-$SUFFIX.tar.gz" - cd ${PREFIX}/share/julia/site - curl -L "$BASEURL/linux/$ARCH/$JULIANAME-$SUFFIX.tar.gz" | tar -xzs - ln -s $PWD/julia-*/bin/julia ${PREFIX}/bin/julia - cd ${PREFIX} - ;; - Darwin) - curl -Lo julia.dmg "$BASEURL/mac/x64/$JULIANAME-mac64.dmg" - hdiutil mount -mountpoint /Volumes/Julia julia.dmg - cp -Ra /Volumes/Julia/*.app/Contents/Resources/julia ${PREFIX}/share/julia/site - ln -s ${PREFIX}/share/julia/site/julia/bin/julia ${PREFIX}/bin/julia - # TODO: clean up after self? - ;; - *) - echo "Do not have Julia binaries for this platform, exiting" - exit 1 - ;; -esac diff --git a/julia/meta.yaml b/julia/meta.yaml deleted file mode 100644 index 75b5d71..0000000 --- a/julia/meta.yaml +++ /dev/null @@ -1,16 +0,0 @@ -# This file created by conda-build 3.19.2 -# meta.yaml template originally from: -# /Users/runner/runners/2.166.4/work/1/s/recipe, last modified Mon Apr 27 16:06:50 2020 -# ------------------------------------------------ - -package: - name: julia - version: 1.6.7 -build: - number: '1' - string: rmg_1 -about: - summary: julia from julialang -extra: - recipe-maintainers: - - mjohnson541 diff --git a/lpsolve/build.sh b/lpsolve/build.sh deleted file mode 100644 index c095e95..0000000 --- a/lpsolve/build.sh +++ /dev/null @@ -1,41 +0,0 @@ -platform="unknown" -unamestr=$(uname) -if [[ "$unamestr" == "Linux" ]]; then - platform="linux" - platarch="ux${ARCH}" - libname="liblpsolve55.so" - ccc="ccc" -elif [[ "$unamestr" == "Darwin" ]]; then - platform="macos" - platarch="osx64" - libname="liblpsolve55.dylib" - ccc="ccc.osx" -fi - -mkdir -p ${PREFIX}/bin -mkdir -p ${PREFIX}/lib -mkdir -p ${PREFIX}/include/lpsolve - -# build library -cd lpsolve55 -sed 's/-Wno-long-double//' < ${ccc} > ${ccc}.patched -sh -x ${ccc}.patched -cd bin/${platarch} - -if [[ "$platform" == "macos" ]]; then - install_name_tool -id ${PREFIX}/lib/liblpsolve55.dylib liblpsolve55.dylib -fi - -cp ${libname} ${PREFIX}/lib/ -cd ../../../ - -# build executable -cd lp_solve -sed 's/-Wno-long-double//' < ${ccc} > ${ccc}.patched -sh ${ccc}.patched -cp bin/${platarch}/lp_solve ${PREFIX}/bin/ -cd .. - -# install headers -cp *.h ${PREFIX}/include/ -cp *.h ${PREFIX}/include/lpsolve/ diff --git a/lpsolve/demo.c b/lpsolve/demo.c deleted file mode 100644 index 9cddf6e..0000000 --- a/lpsolve/demo.c +++ /dev/null @@ -1,86 +0,0 @@ -/* -A very simple example using lp_solve, with the following problem: - Objective function - min: -9 C1 -10 C2; - Constraints - R1: -0 <= +C1 <= 10; - +C1 -C2 = 0; -To compile using GCC: - $ gcc demo2.c -o demo2 -llpsolve55 -*/ - -#include "lp_lib.h" - -int demo() -{ - lprec *lp; - int j; - int num_cols = 2; - int ret; - - int *colno; - REAL *row; - - colno = (int *)malloc(sizeof(*colno) * num_cols); - row = (REAL *)malloc(sizeof(*row) * num_cols); - - lp = make_lp(0, num_cols); - - set_add_rowmode(lp, TRUE); /* makes building the model faster if it is done rows by row */ - - colno[0] = 1; - colno[1] = 2; - j = 2; - - row[0] = 1; - row[1] = 0; - add_constraintex(lp, j, row, colno, LE, 10); - - set_rh_range(lp, 1, 10); - - row[0] = 1; - row[1] = -1; - add_constraintex(lp, j, row, colno, EQ, 0); - - set_add_rowmode(lp, FALSE); /* rowmode should be turned off again when done building the model */ - - /* set objective function */ - row[0] = -9.0; - row[1] = -10.0; - - set_obj_fnex(lp, 2, row, colno); - - /* object direction is minimise */ - set_minim(lp); - - /* print problem to stdout */ - write_LP(lp, stdout); - - set_verbose(lp, IMPORTANT); - - printf("\n"); - - ret = solve(lp); - printf("Status: %i\n", ret); - - printf("Objective value: %f\n", get_objective(lp)); - - get_variables(lp, row); - for(j = 0; j < num_cols; j++) - { - printf("%s: %f\n", get_col_name(lp, j + 1), row[j]); - } - - - if(lp != NULL) - { - delete_lp(lp); - } - - return 0; -} - -int main() -{ - return demo(); -} diff --git a/lpsolve/meta.yaml b/lpsolve/meta.yaml deleted file mode 100644 index a5b0a88..0000000 --- a/lpsolve/meta.yaml +++ /dev/null @@ -1,23 +0,0 @@ -# This file created by conda-build 2.0.8 -# meta.yaml template originally from: -# /Users/mjliu/Dropbox (MIT)/Research/anaconda/lpsolve, last modified Thu Nov 3 17:02:02 2016 -# ------------------------------------------------ - -package: - name: lpsolve - version: 5.5.2.5 -source: - fn: lp_solve_5.5.2.5_source.tar.gz - md5: 3be57261fc41dd8e210f54017220d5f7 - url: https://sourceforge.net/projects/lpsolve/files/lpsolve/5.5.2.5/lp_solve_5.5.2.5_source.tar.gz -build: - number: '0' -test: - files: - - demo.c -about: - home: http://lpsolve.sourceforge.net/5.5/ - license: LGPL -extra: - recipe-maintainers: - - snorfalorpagus diff --git a/lpsolve/run_test.sh b/lpsolve/run_test.sh deleted file mode 100644 index 35c3be1..0000000 --- a/lpsolve/run_test.sh +++ /dev/null @@ -1,4 +0,0 @@ -lp_solve -h - -cc -I ${PREFIX}/include -L ${PREFIX}/lib -Wl,-rpath,${PREFIX}/lib -o demo demo.c -llpsolve55 -./demo diff --git a/lpsolve55/bld.bat b/lpsolve55/bld.bat deleted file mode 100755 index c9f96b8..0000000 --- a/lpsolve55/bld.bat +++ /dev/null @@ -1,6 +0,0 @@ -copy "%PREFIX%\..\..\libs\libpython27.dll.a" "%PREFIX%\libs\libpython27.a" -copy "%PREFIX%\..\..\Lib\distutils\distutils.cfg" "%PREFIX%\Lib\distutils\distutils.cfg" - -cd extra\Python -"%PYTHON%" setup.py install -if errorlevel 1 exit 1 diff --git a/lpsolve55/build.sh b/lpsolve55/build.sh deleted file mode 100644 index cb637f1..0000000 --- a/lpsolve55/build.sh +++ /dev/null @@ -1,4 +0,0 @@ -#!/bin/bash - -cd ./extra/Python -$PYTHON setup.py install diff --git a/lpsolve55/hash_osx.patch b/lpsolve55/hash_osx.patch deleted file mode 100644 index 11fdc89..0000000 --- a/lpsolve55/hash_osx.patch +++ /dev/null @@ -1,10 +0,0 @@ ---- ./extra/Python/hash.c -+++ ./extra/Python/hash.c -@@ -8,7 +8,6 @@ - - #include - #include --#include - #include - - #include "hash.h" diff --git a/lpsolve55/meta.yaml b/lpsolve55/meta.yaml deleted file mode 100644 index 3e87426..0000000 --- a/lpsolve55/meta.yaml +++ /dev/null @@ -1,37 +0,0 @@ -package: - name: lpsolve55 - version: 5.5 - -source: - fn: lp_solve_5.5.2.5_Python_source.tar.gz - url: https://sourceforge.net/projects/lpsolve/files/lpsolve/5.5.2.5/lp_solve_5.5.2.5_Python_source.tar.gz - md5: 937f97a6e236e6ddc095485673a7a9ce - - patches: - - setup.patch # [unix] - - setup_win.patch # [win] - - hash_osx.patch # [osx] - -build: - number: 1 - -requirements: - build: - - python - - setuptools - - numpy - - lpsolve - - run: - - python - - numpy - - lpsolve - -test: - imports: - - lpsolve55 - -about: - home: http://lpsolve.sourceforge.net/ - license: LGPL - summary: "Linear Program Solver, Python Interface to lpsolve" diff --git a/lpsolve55/setup.patch b/lpsolve55/setup.patch deleted file mode 100644 index 854e1a1..0000000 --- a/lpsolve55/setup.patch +++ /dev/null @@ -1,23 +0,0 @@ ---- ./extra/Python/setup.py -+++ ./extra/Python/setup.py -@@ -6,9 +6,9 @@ - NUMPYPATH = '.' - if os.path.isdir(p + '/include/numpy'): - NUMPY = 'NUMPY' --elif os.path.isdir(p + '/Lib/site-packages/numpy/core/include/numpy'): -+elif os.path.isdir(p + '/lib/python2.7/site-packages/numpy/core/include/numpy'): - NUMPY = 'NUMPY' -- NUMPYPATH = p + '/Lib/site-packages/numpy/core/include' -+ NUMPYPATH = p + '/lib/python2.7/site-packages/numpy/core/include' - else: - NUMPY = 'NONUMPY' - print 'numpy: ' + NUMPY -@@ -29,7 +29,7 @@ - ext_modules = [Extension("lpsolve55", - ["lpsolve.c", "hash.c", "pythonmod.c"], - define_macros=[('PYTHON', '1'), (WIN32, '1'), ('NODEBUG', '1'), ('DINLINE', 'static'), (NUMPY, '1'), ('_CRT_SECURE_NO_WARNINGS', '1')], -- include_dirs=['../..', NUMPYPATH], -+ include_dirs=[p + '/include', NUMPYPATH], - library_dirs=[LPSOLVE55], - libraries = ["lpsolve55"]) - ] diff --git a/lpsolve55/setup_win.patch b/lpsolve55/setup_win.patch deleted file mode 100644 index 2f35afd..0000000 --- a/lpsolve55/setup_win.patch +++ /dev/null @@ -1,11 +0,0 @@ ---- ./extra/Python/setup.py -+++ ./extra/Python/setup.py -@@ -29,7 +29,7 @@ - ext_modules = [Extension("lpsolve55", - ["lpsolve.c", "hash.c", "pythonmod.c"], - define_macros=[('PYTHON', '1'), (WIN32, '1'), ('NODEBUG', '1'), ('DINLINE', 'static'), (NUMPY, '1'), ('_CRT_SECURE_NO_WARNINGS', '1')], -- include_dirs=['../..', NUMPYPATH], -+ include_dirs=[p + '/Library/include/lpsolve', NUMPYPATH], - library_dirs=[LPSOLVE55], - libraries = ["lpsolve55"]) - ] diff --git a/mopac/bld.bat b/mopac/bld.bat deleted file mode 100644 index 7e4c3cb..0000000 --- a/mopac/bld.bat +++ /dev/null @@ -1,8 +0,0 @@ -mkdir -p %PREFIX%\Scripts -xcopy /s %SRC_DIR% %PREFIX%\Scripts - -mkdir %PREFIX%\bin - -(echo set MOPAC_LICENSE=%PREFIX%\Scripts) >> %PREFIX%\Scripts\mopac.bat -(echo %PREFIX%\Scripts\MOPAC2016.exe %%1) >> %PREFIX%\Scripts\mopac.bat -chmod +x %PREFIX%\Scripts\mopac.bat diff --git a/mopac/build.sh b/mopac/build.sh deleted file mode 100644 index 9d9c5cd..0000000 --- a/mopac/build.sh +++ /dev/null @@ -1,17 +0,0 @@ -#!/bin/bash -mkdir -p $PREFIX/opt/mopac - -# uncomment the following line for linux-32 build -# cp $RECIPE_DIR/libiomp5.so $SRC_DIR/ -cp -R $SRC_DIR/* $PREFIX/opt/mopac/ -chmod +x $PREFIX/opt/mopac/MOPAC2016.exe - -mkdir -p $PREFIX/bin -cp $RECIPE_DIR/mopac.sh $PREFIX/bin/mopac -chmod +x $PREFIX/bin/mopac - -# Add more build steps here, if they are necessary. - -# See -# http://docs.continuum.io/conda/build.html -# for a list of environment variables that are set during the build process. diff --git a/mopac/libiomp5.so b/mopac/libiomp5.so deleted file mode 100644 index eebd969..0000000 Binary files a/mopac/libiomp5.so and /dev/null differ diff --git a/mopac/meta.yaml b/mopac/meta.yaml deleted file mode 100644 index bf56442..0000000 --- a/mopac/meta.yaml +++ /dev/null @@ -1,35 +0,0 @@ -package: - name: mopac - version: 2016 - -source: - fn: MOPAC2016_for_Macintosh.zip # [osx] - url: http://openmopac.net/MOPAC2016_for_Macintosh.zip # [osx] - md5: 40adbeaccd02d0980a6dc29a5e0d74f2 # [osx] - - - fn: MOPAC2016_for_Linux_64_bit.zip # [linux64] - url: http://openmopac.net/MOPAC2016_for_Linux_64_bit.zip # [linux64] - md5: 83ddd4a87760bc6f793237923b69e935 # [linux64] - - fn: MOPAC2016_for_Linux_32_bit.zip # [linux32] - url: http://openmopac.net/MOPAC2016_for_Linux_32_bit.zip # [linux32] - md5: ca976f298d5984c2f2b04a8955eadf28 # [linux32] - - fn: MOPAC2016_standalone_for_WINDOWS_64_bit.zip [win64] - url: http://openmopac.net/MOPAC2016_standalone_for_WINDOWS_64_bit.zip [win64] - - fn: MOPAC2016_standalone_for_WINDOWS_32_bit.zip [win32] - url: http://openmopac.net/MOPAC2016_standalone_for_WINDOWS_32_bit.zip [win32] - -build: - number: 1 - binary_relocation: false - -test: - commands: - - mopac - -about: - home: http://openmopac.net - license: executables are available FREE for academic, not-for-profit use \ No newline at end of file diff --git a/mopac/mopac.sh b/mopac/mopac.sh deleted file mode 100644 index 998c102..0000000 --- a/mopac/mopac.sh +++ /dev/null @@ -1,3 +0,0 @@ -#!/bin/bash -# A wrapper to set up the environment and call MOPAC2016.exe -MOPAC_LICENSE=/opt/anaconda1anaconda2anaconda3/opt/mopac/ LD_LIBRARY_PATH=/opt/anaconda1anaconda2anaconda3/opt/mopac/ /opt/anaconda1anaconda2anaconda3/opt/mopac/MOPAC2016.exe "$@" diff --git a/openbabel/Notes.md b/openbabel/Notes.md deleted file mode 100644 index 26dad46..0000000 --- a/openbabel/Notes.md +++ /dev/null @@ -1 +0,0 @@ -You must run conda build openbabel in the command prompt, not git bash \ No newline at end of file diff --git a/openbabel/absence_of_cat_windows.diff b/openbabel/absence_of_cat_windows.diff deleted file mode 100644 index 14c92da..0000000 --- a/openbabel/absence_of_cat_windows.diff +++ /dev/null @@ -1,13 +0,0 @@ -diff --git a/scripts/CMakeLists.txt b/scripts/CMakeLists.txt -index 2563226..e7298ce 100644 ---- scripts/CMakeLists.txt -+++ scripts/CMakeLists.txt -@@ -75,7 +75,7 @@ if (DO_PYTHON_BINDINGS) - COMMAND ${CMAKE_COMMAND} -E echo " except ImportError:" >> ob.py - COMMAND ${CMAKE_COMMAND} -E echo " import DLFCN as dl" >> ob.py - COMMAND ${CMAKE_COMMAND} -E echo " sys.setdlopenflags(sys.getdlopenflags() | dl.RTLD_GLOBAL)" >> ob.py -- COMMAND cat ${openbabel_SOURCE_DIR}/scripts/python/openbabel.py >> ob.py -+ COMMAND type python\openbabel.py >> ob.py - COMMAND ${CMAKE_COMMAND} -E copy ob.py ${openbabel_SOURCE_DIR}/scripts/python/openbabel.py - COMMAND ${CMAKE_COMMAND} -E remove ob.py - MAIN_DEPENDENCY openbabel-python.i diff --git a/openbabel/bld.bat b/openbabel/bld.bat deleted file mode 100644 index a38341f..0000000 --- a/openbabel/bld.bat +++ /dev/null @@ -1,35 +0,0 @@ -set CC=gcc -set CXX=g++ -set F77=gfortran -set F90=gfortran - -copy "%PREFIX%\..\..\libs\libpython27.a" "%PREFIX%\libs\libpython27.a" -copy "%PREFIX%\..\..\Lib\distutils\distutils.cfg" "%PREFIX%\Lib\distutils\distutils.cfg" -pip install -i https://pypi.anaconda.org/rmg/simple pycairo - -cmake -DCMAKE_INSTALL_PREFIX=%PREFIX% ^ - -DPYTHON_LIBRARY=%PREFIX%\libs\libpython27.a ^ - -DPYTHON_EXECUTABLE=%PYTHON% ^ - -DPYTHON_INCLUDE_DIR=%PREFIX%\include ^ - -DPYTHON_BINDINGS=ON ^ - -DRUN_SWIG=ON ^ - -G "MinGW Makefiles" - -mingw32-make -j4 -mingw32-make install - -::The python library and shared object do not install into site-packages so -::we put them there manually after the build. This may be possible from CMake -::using option -DPYTHON_PREFIX from ob wiki, but doesn't seem to work - - -:: Copy the key binary files to the site packages. this is an unfortunate workaround for windows -copy bin\_openbabel.pyd %PREFIX%\Lib\site-packages -xcopy %PREFIX%\bin %PREFIX%\Library\bin /E -rmdir /s %PREFIX%\bin - -:: Install the python site package -cd scripts\python -%PYTHON% setup.py install - - diff --git a/openbabel/build.sh b/openbabel/build.sh deleted file mode 100644 index fd199b4..0000000 --- a/openbabel/build.sh +++ /dev/null @@ -1,34 +0,0 @@ -#!/bin/bash -if [ `uname` == Darwin ]; then - SO_EXT='dylib' -else - SO_EXT='so' -fi - -cmake -DCMAKE_INSTALL_PREFIX=$PREFIX \ - -DPYTHON_LIBRARY=$PREFIX/lib/libpython${PY_VER}.${SO_EXT} \ - -DPYTHON_EXECUTABLE=$PYTHON \ - -DPYTHON_INCLUDE_DIR=$PREFIX/include/python${PY_VER} \ - -DPYTHON_BINDINGS=ON \ - -DRUN_SWIG=ON - -# false # pause here to see what's going on - -#put libxml, eigen, wxwidgets, -make -j${CPU_COUNT} -make install - -#The python library and shared object do not install into site-packages so -#we put them there manually after the build. This may be possible from CMake -#using option -DPYTHON_PREFIX from ob wiki, but doesn't seem to work - -cd scripts/python -python setup.py install - -#cd $SRC_DIR -#make test | true - -#$PREFIX/lib -#mv openbabel.py python${PY_VER}/site-packages/openbabel.py -#mv _openbabel.so python${PY_VER}/site-packages/_openbabel.so -#mv pybel.py python${PY_VER}/site-packages/pybel.py \ No newline at end of file diff --git a/openbabel/dont_create_extension.diff b/openbabel/dont_create_extension.diff deleted file mode 100644 index 5aec69f..0000000 --- a/openbabel/dont_create_extension.diff +++ /dev/null @@ -1,13 +0,0 @@ -diff --git a/a/setup.py b/b/setup.py -index ebdda33..2768b80 100644 ---- scripts/python/setup.py -+++ scripts/python/setup.py -@@ -34,7 +34,7 @@ setup(name='openbabel', - url='http://openbabel.org/', - license='http://www.gnu.org/copyleft/gpl.html', - py_modules=['openbabel','pybel'], -- ext_modules=[obExtension], -+ #ext_modules=[obExtension], - description = 'openbabel: Python interface to the Open Babel chemistry library', - classifiers=[ - 'Development Status :: 5 - Production/Stable', diff --git a/openbabel/fix_babel_test_paths.diff b/openbabel/fix_babel_test_paths.diff deleted file mode 100644 index 57af507..0000000 --- a/openbabel/fix_babel_test_paths.diff +++ /dev/null @@ -1,23 +0,0 @@ -This is to fix up the python scripts that test the various openbabel -executables. They were looking for the executables relative to the -testing folder, under the assumption they were part of the usual -cmake, make, ctest, suite. But we instead want to test the binaries that -we just installed somewhere else (eg. the anaconda _test environment). - -diff --git a/test/testbabel.py b/test/testbabel.py -index 5def841..ccf6bbc 100644 ---- test/testbabel.py -+++ test/testbabel.py -@@ -60,6 +60,12 @@ def executable(name): - if sys.platform == "win32": - suffix = ".exe" - folder = os.path.join(folder, "Release") -+ # For anaconda testing purposes, the correct binary -+ # that we wish to test ought to be on the path, -+ from distutils import spawn -+ path_to_exe = spawn.find_executable(name) -+ return path_to_exe -+ # instead of assuming it's somewhere relative to the testing folder: - return os.path.join("..", folder, name + suffix) - - def log(text): \ No newline at end of file diff --git a/openbabel/fix_data_path.diff b/openbabel/fix_data_path.diff deleted file mode 100644 index a682218..0000000 --- a/openbabel/fix_data_path.diff +++ /dev/null @@ -1,18 +0,0 @@ -diff --git a/src/tokenst.cpp b/src/tokenst.cpp -index 2ab6454..badfade 100644 ---- src/tokenst.cpp -+++ src/tokenst.cpp -@@ -206,7 +206,13 @@ namespace OpenBabel - string file; - const char* datadir = getenv(envvar.c_str()); - if(!datadir) -+ { - datadir = BABEL_DATADIR; -+ } -+ //puts(datadir); -+ std::string tempstring = string(datadir); -+ datadir = tempstring.c_str(); -+ //puts(datadir); - - // check the subdirectory for this version number - file = datadir; \ No newline at end of file diff --git a/openbabel/fix_library_path_search.diff b/openbabel/fix_library_path_search.diff deleted file mode 100644 index c40ab86..0000000 --- a/openbabel/fix_library_path_search.diff +++ /dev/null @@ -1,30 +0,0 @@ -Devised by Richard West in an attempt to fix the way paths -are manipulated when making anaconda packages. See -https://github.com/conda/conda-recipes/pull/310#issuecomment-106533773 - -diff --git a/openbabel-2.3.2/src/dlhandler_unix.cpp b/openbabel-2.3.2/src/dlhandler_unix.cpp -index 5bffac3..bc66235 100644 ---- src/dlhandler_unix.cpp -+++ src/dlhandler_unix.cpp - -@@ -79,7 +79,19 @@ int DLHandler::findFiles (std::vector & file_list, - char buffer[BUFF_SIZE]; - - if (!path.empty()) -- paths.push_back(path); -+ { -+ strncpy(buffer, path.c_str(), BUFF_SIZE - 1); -+ // add a trailing NULL just in case -+ buffer[BUFF_SIZE - 1] = '\0'; -+ OpenBabel::tokenize(vs, buffer, "\r\n:"); -+ if (!vs.empty()) -+ { -+ for (unsigned int i = 0; i < vs.size(); ++i) { -+ paths.push_back(vs[i]); -+ } -+ } -+ } -+ - - if (getenv("BABEL_LIBDIR") != NULL) - { diff --git a/openbabel/fix_pythontest.diff b/openbabel/fix_pythontest.diff deleted file mode 100644 index 28f67f6..0000000 --- a/openbabel/fix_pythontest.diff +++ /dev/null @@ -1,12 +0,0 @@ -diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt -index 59bf5f4..53c329a 100644 ---- test/CMakeLists.txt -+++ test/CMakeLists.txt -@@ -192,6 +192,7 @@ endif(NOT MINGW AND NOT CYGWIN) - ############################### - - if (PYTHON_BINDINGS) -+ include(UsePythonTest) - set(pybindtests - bindings _pybel example) - foreach(pybindtest ${pybindtests}) diff --git a/openbabel/libxml_windows_patch.diff b/openbabel/libxml_windows_patch.diff deleted file mode 100644 index 78d34f4..0000000 --- a/openbabel/libxml_windows_patch.diff +++ /dev/null @@ -1,13 +0,0 @@ -diff --git a/src/formats/xml/xml.cpp b/src/formats/xml/xml.cpp -index b7f915b..3e0459d 100644 ---- src/formats/xml/xml.cpp -+++ src/formats/xml/xml.cpp -@@ -283,7 +283,7 @@ namespace OpenBabel - if(pvalue) - { - AttributeValue = (const char*)pvalue; -- xmlFree(pvalue); -+ free(pvalue); - } - return AttributeValue; - } diff --git a/openbabel/linux.sh b/openbabel/linux.sh deleted file mode 100644 index cc4a2c5..0000000 --- a/openbabel/linux.sh +++ /dev/null @@ -1,14 +0,0 @@ -export CMAKE_C_COMPIILER=gcc -export CMAKE_CXX_COMPILER=g++ - -cmake -DCMAKE_INSTALL_PREFIX=$PREFIX \ - -DPYTHON_LIBRARY=$PREFIX/libs/libpython27.lib \ - -DPYTHON_EXECUTABLE=$PYTHON \ - -DPYTHON_INCLUDE_DIR=$PREFIX/include \ - -DPYTHON_BINDINGS=ON \ - -DRUN_SWIG=ON \ - -DZLIB_INCLUDE_DIR=$PREFIX/include \ - -DZLIB_LIBRARY=$PREFIX/Library/lib/zlib.lib \ - -DLIBXML2_INCLUDE_DIR=$PREFIX/include \ - -DLIBXML2_LIBRARIES=$PREFIX/Library/lib/libxml2.lib \ - -G "MSYS Makefiles" \ No newline at end of file diff --git a/openbabel/meta.yaml b/openbabel/meta.yaml deleted file mode 100644 index 165bc30..0000000 --- a/openbabel/meta.yaml +++ /dev/null @@ -1,65 +0,0 @@ - -package: - name: openbabel - version: 2.3.2 - -source: - fn: openbabel-2.3.2.tar.gz - url: http://sourceforge.net/projects/openbabel/files/openbabel/2.3.2/openbabel-2.3.2.tar.gz - sha1: b8831a308617d1c78a790479523e43524f07d50d - - patches: - - ob-2-3-2-patch.diff # [osx] - - ob-mavericks.patch # [osx] - - pybel-test.patch - - fix_library_path_search.diff - - fix_data_path.diff - - fix_babel_test_paths.diff - - fix_pythontest.diff # [win] - - libxml_windows_patch.diff # [win] - - windows_swig_comment.diff # [win] - - absence_of_cat_windows.diff # [win] - - dont_create_extension.diff # [win] - -build: - number: 4 - detect_binary_files_with_prefix: true - -requirements: - build: - - cmake - - pkg-config # [unix] - - zlib - - swig - - eigen - - bzip2 - - python - - zlib - - libxml2 - - cairo [unix] - run: - - python - - eigen - - zlib - - libxml2 - - cairo [unix] -test: - source_files: - - '*' - imports: - - openbabel - - pybel - commands: - - cd $SRC_DIR/test ; python test_pybel.py [unix] - - cd $SRC_DIR/test ; python testbabel.py [unix] - - cd $SRC_DIR/test ; python testkekule.py [unix] - - cd $SRC_DIR/test ; python testbindings.py [unix] - - cd $SRC_DIR/test ; python testexample.py [unix] - - python run_test.py [win] - - python %SRC_DIR%\test\testbindings.py [win] - - python %SRC_DIR%\test\testexample.py [win] - -about: - home: http://www.openbabel.org/ - license: GPLv2 - summary: "A chemical toolbox designed to speak the many languages of chemical data" diff --git a/openbabel/ob-2-3-2-patch.diff b/openbabel/ob-2-3-2-patch.diff deleted file mode 100644 index 1f81d48..0000000 --- a/openbabel/ob-2-3-2-patch.diff +++ /dev/null @@ -1,24 +0,0 @@ - Patch to fix Molecule.draw() in pybel in accordance with upstream commit df59c4a630cf753723d1318c40479d48b7507e1c - Taken from the homebrew recipe ---- scripts/python/pybel.py 2012-10-03 21:08:52.000000000 +0200 -+++ scripts/python/pybel.py 2013-06-24 22:40:30.024896494 +0200 -@@ -495,7 +495,9 @@ - - Tkinter and Python Imaging Library are required for image display. - """ -- if not "png2" in outformats: -+ obconversion = ob.OBConversion() -+ formatok = obconversion.SetOutFormat("_png2") -+ if not formatok: - errormessage = ("PNG output format not found. You should compile " - "Open Babel with PNG support. See installation " - "instructions for more information.") -@@ -529,7 +531,7 @@ - - filedes, filename = tempfile.mkstemp() - -- workingmol.write("png2", filename=filename, overwrite=True) -+ workingmol.write("_png2", filename=filename, overwrite=True) - - if show: - if sys.platform[:4] == "java": diff --git a/openbabel/ob-mavericks.patch b/openbabel/ob-mavericks.patch deleted file mode 100644 index 10e155e..0000000 --- a/openbabel/ob-mavericks.patch +++ /dev/null @@ -1,90 +0,0 @@ -Backport of the following patch into the 2.3.2 version of Open-Babel -Taken from the homebrew recipe -From c3abbddae78e654df9322ad1020ff79dd6332946 Mon Sep 17 00:00:00 2001 -From: Matt Swain -Date: Thu, 31 Oct 2013 15:25:53 +0000 -Subject: [PATCH] Detect libc++ as this is now the default in OS X Mavericks - ---- - include/openbabel/obmolecformat.h | 7 ++++++- - include/openbabel/shared_ptr.h | 12 ++++++++++-- - src/ops/unique.cpp | 8 ++++++-- - 3 files changed, 22 insertions(+), 5 deletions(-) - -diff --git a/include/openbabel/obmolecformat.h b/include/openbabel/obmolecformat.h -index 46ec724..c004313 100644 ---- include/openbabel/obmolecformat.h -+++ include/openbabel/obmolecformat.h -@@ -23,7 +23,10 @@ - #include - #endif - --#if __GNUC__ == 4 && __GNUC_MINOR__ >= 1 -+#include // detect std::lib -+#ifdef _LIBCPP_VERSION -+ #include -+#elif __GNUC__ == 4 && __GNUC_MINOR__ >= 1 - #include - #elif defined(USE_BOOST) - #include -@@ -141,6 +144,8 @@ class OBCOMMON OBMoleculeFormat : public OBFormat - - #ifdef _MSC_VER - typedef stdext::hash_map NameIndexType; -+#elif defined(_LIBCPP_VERSION) -+ typedef std::unordered_map NameIndexType; - #elif (__GNUC__ == 4 && __GNUC_MINOR__ >= 1 && !defined(__APPLE_CC__)) || defined (USE_BOOST) - typedef std::tr1::unordered_map NameIndexType; - #else -diff --git a/include/openbabel/shared_ptr.h b/include/openbabel/shared_ptr.h -index 5d20254..378856a 100644 ---- include/openbabel/shared_ptr.h -+++ include/openbabel/shared_ptr.h -@@ -22,9 +22,17 @@ GNU General Public License for more details. - #else - #include - #if __GNUC__ == 4 //&& __GNUC_MINOR__ < 3 removed at the suggestion of Konstantin Tokarev -- #include -+ #ifdef _LIBCPP_VERSION -+ #include -+ #else -+ #include -+ #endif -+ #endif -+ #ifdef _LIBCPP_VERSION -+ using std::shared_ptr; -+ #else -+ using std::tr1::shared_ptr; - #endif -- using std::tr1::shared_ptr; - #endif - - #endif // OB_SHARED_PTR_H -diff --git a/src/ops/unique.cpp b/src/ops/unique.cpp -index 5f7714f..8527fba 100644 ---- src/ops/unique.cpp -+++ src/ops/unique.cpp -@@ -21,7 +21,7 @@ - #include - #include - #include --#ifdef _MSC_VER -+#if defined(_MSC_VER) || defined(_LIBCPP_VERSION) - #include - #elif (__GNUC__ == 4 && __GNUC_MINOR__ >= 1 && !defined(__APPLE_CC__)) - #include -@@ -36,7 +36,11 @@ - - using namespace std; - #ifndef NO_UNORDERED_MAP --using std::tr1::unordered_map; -+ #ifdef _LIBCPP_VERSION -+ using std::unordered_map; -+ #else -+ using std::tr1::unordered_map; -+ #endif - #endif - namespace OpenBabel - { --- -1.8.5.1 diff --git a/openbabel/pybel-test.patch b/openbabel/pybel-test.patch deleted file mode 100644 index 30ab54d..0000000 --- a/openbabel/pybel-test.patch +++ /dev/null @@ -1,24 +0,0 @@ -From c19f75c45f48b8f959bbd362eddf192a3ccf2ca9 Mon Sep 17 00:00:00 2001 -From: Noel O'Boyle -Date: Mon, 1 Oct 2012 20:40:36 +0000 -Subject: [PATCH] scripts/python/testpybel.py: Minor fix to enable failing test - to pass. Failures due to the new MOL Chiral Flag data that I stored a while - ago. - ---- - scripts/python/examples/testpybel.py | 2 +- - 1 file changed, 1 insertion(+), 1 deletion(-) - -diff --git a/scripts/python/examples/testpybel.py b/scripts/python/examples/testpybel.py -index aa5fcd4..7951851 100644 ---- scripts/python/examples/testpybel.py -+++ scripts/python/examples/testpybel.py -@@ -336,7 +336,7 @@ class TestPybel(TestToolkit): - tpsaname = "TPSA" - Nbits = 3 - Nfpbits = 32 -- datakeys = ['NSC', 'Comment', 'OpenBabel Symmetry Classes'] -+ datakeys = ['NSC', 'Comment', 'OpenBabel Symmetry Classes', 'MOL Chiral Flag'] - - def testFP_FP3(self): - "Checking the results from FP3" \ No newline at end of file diff --git a/openbabel/run_test.py b/openbabel/run_test.py deleted file mode 100644 index e7d5a37..0000000 --- a/openbabel/run_test.py +++ /dev/null @@ -1,15 +0,0 @@ -# tests for openbabel-2.3.2 - -# A test of some smiple SMILES manipulation -# by Richard West -# Three SMILES, first two obviously the same, third one a resonance isomer. -smis=['[CH2]C=CCO', 'C([CH2])=CCO','C=C[CH]CO'] - -import pybel -canonicals = [pybel.readstring("smi", smile).write("can").strip() for smile in smis] -assert len(canonicals) == 3 -assert len(set(canonicals)) == 2 -# go via InChI to recognize resonance isomer -inchis = [pybel.readstring("smi", smile).write("inchi").strip() for smile in smis] -canonicals = [pybel.readstring("inchi", inchi).write("can").strip() for inchi in inchis] -assert len(set(canonicals)) == 1 diff --git a/openbabel/windows_swig_comment.diff b/openbabel/windows_swig_comment.diff deleted file mode 100644 index 7437a7d..0000000 --- a/openbabel/windows_swig_comment.diff +++ /dev/null @@ -1,94 +0,0 @@ -diff --git a/scripts/openbabel-python.i b/scripts/openbabel-python.i -index 7cb8f24..cd3ee81 100644 ---- scripts/openbabel-python.i -+++ scripts/openbabel-python.i -@@ -227,7 +227,7 @@ CAST_GENERICDATA_TO(SquarePlanarStereo) - %include - %include - --# CloneData should be used instead of the following method -+/* CloneData should be used instead of the following method */ - %ignore OpenBabel::OBBase::SetData; - %include - -@@ -289,7 +289,7 @@ OBMol.BeginResidues = OBMol.EndResidues = OBMol.BeginResidue = OBMol.EndResidue - %ignore OpenBabel::OBDescriptor::LessThan; - %include - --# Ignore shadowed methods -+/* Ignore shadowed methods */ - %ignore OpenBabel::OBForceField::VectorSubtract(const double *const, const double *const, double *); - %ignore OpenBabel::OBForceField::VectorMultiply(const double *const, const double, double *); - %include -@@ -310,7 +310,7 @@ OBMol.BeginResidues = OBMol.EndResidues = OBMol.BeginResidue = OBMol.EndResidue - - %warnfilter(503) OpenBabel::OBBitVec; // Not wrapping any of the overloaded operators - %include --# Ignore shadowed method -+/* Ignore shadowed method */ - %ignore OpenBabel::OBRotor::GetRotAtoms() const; - %include - %ignore OpenBabel::Swab; -@@ -321,13 +321,13 @@ OBMol.BeginResidues = OBMol.EndResidues = OBMol.BeginResidue = OBMol.EndResidue - %include - #endif - --# The following %ignores avoid warning messages due to shadowed classes. --# This does not imply a loss of functionality as (in this case) --# the shadowed class is identical (from the point of view of SWIG) to --# the shadowing class. --# This is because C++ references (&) are transformed by SWIG back into --# pointers, so that OBAtomIter(OBMol &) would be treated the same as --# OBAtomIter(OBMol *). -+/* The following %ignores avoid warning messages due to shadowed classes. */ -+/* This does not imply a loss of functionality as (in this case) */ -+/* the shadowed class is identical (from the point of view of SWIG) to */ -+/* the shadowing class. */ -+/* This is because C++ references (&) are transformed by SWIG back into */ -+/* pointers, so that OBAtomIter(OBMol &) would be treated the same as */ -+/* OBAtomIter(OBMol *). */ - - %ignore OBAtomAtomIter(OBAtom &); - %ignore OBAtomBondIter(OBAtom &); -@@ -346,9 +346,9 @@ OBMol.BeginResidues = OBMol.EndResidues = OBMol.BeginResidue = OBMol.EndResidue - %ignore OBResidueIter(OBMol &); - %ignore OBResidueAtomIter(OBResidue &); - --# These classes are renamed so that they can be replaced by Python --# classes of the same name which provide Pythonic iterators --# (see %pythoncode section below) -+/* These classes are renamed so that they can be replaced by Python */ -+/* classes of the same name which provide Pythonic iterators */ -+/* (see %pythoncode section below) */ - - %rename(_OBAtomAtomIter) OpenBabel::OBAtomAtomIter; - %rename(_OBAtomBondIter) OpenBabel::OBAtomBondIter; -@@ -367,8 +367,8 @@ OBMol.BeginResidues = OBMol.EndResidues = OBMol.BeginResidue = OBMol.EndResidue - - %include - --# The following class, OBiter, is subclassed to provide Python iterators --# equivalent to the C++ iterators in obiter.h and the plugin iterators -+/* The following class, OBiter, is subclassed to provide Python iterators */ -+/* equivalent to the C++ iterators in obiter.h and the plugin iterators */ - - %pythoncode %{ - class OBIter(object): -@@ -459,7 +459,7 @@ def double_array(mylist): - return c - %} - --# Copy some of the global variables in cvar into the openbabel namespace -+/* Copy some of the global variables in cvar into the openbabel namespace */ - - %pythoncode %{ - obErrorLog = cvar.obErrorLog -@@ -470,7 +470,7 @@ atomtyper = cvar.atomtyper - aromtyper = cvar.aromtyper - %} - --# Functions to set the log file to std::cout and std::cerr -+/* Functions to set the log file to std::cout and std::cerr */ - - %ignore OBForceField::SetLogFile(std::ostream *pos); - %extend OpenBabel::OBForceField { diff --git a/pixman/build.sh b/pixman/build.sh deleted file mode 100644 index 06a641d..0000000 --- a/pixman/build.sh +++ /dev/null @@ -1,4 +0,0 @@ -#!/bin/bash -./configure --prefix=$PREFIX -make -j -make install diff --git a/pixman/meta.yaml b/pixman/meta.yaml deleted file mode 100644 index 54a1c5f..0000000 --- a/pixman/meta.yaml +++ /dev/null @@ -1,14 +0,0 @@ -package: - name: pixman - version: "0.32.6" - -source: - fn: pixman-0.32.6.tar.gz - url: http://cairographics.org/releases/pixman-0.32.6.tar.gz - -build: - number: 0 - -about: - home: http://cairographics.org - license: GNU Lesser General Public License (LGPL) version 2.1 or the Mozilla Public License (MPL) version 1.1 at your option. diff --git a/py2cairo/build.sh b/py2cairo/build.sh deleted file mode 100755 index ae216bb..0000000 --- a/py2cairo/build.sh +++ /dev/null @@ -1,12 +0,0 @@ -#!/bin/bash -export LINKFLAGS="-undefined dynamic_lookup" -export CFLAGS="-I$PREFIX/include -L$PREFIX/lib -I${PREFIX}/include/python${PY_VER}" - -./waf configure \ - --prefix=$PREFIX \ - --nopyc \ - --nopyo -./waf install - -mv $SP_DIR/cairo/lib_cairo.dylib $SP_DIR/cairo/_cairo.so -# the above line may need fixing for linux, which may not use .dylib extension diff --git a/py2cairo/fix-waf-extension.patch b/py2cairo/fix-waf-extension.patch deleted file mode 100644 index bd2b20e..0000000 --- a/py2cairo/fix-waf-extension.patch +++ /dev/null @@ -1,18 +0,0 @@ -# disable waf's python extension mode because it explicitly links libpython -# https://code.google.com/p/waf/issues/detail?id=1531 -# from homebrew recipe -# https://github.com/Homebrew/homebrew/blob/master/Library/Formula/py2cairo.rb - -diff --git a/src/wscript b/src/wscript -index 69c6322..955ef49 100644 ---- src/wscript -+++ src/wscript -@@ -19,7 +19,7 @@ def build(ctx): - - # C extension module - ctx( -- features = 'c cshlib pyext', -+ features = 'c cshlib', - source = ['cairomodule.c', - 'context.c', - 'font.c', diff --git a/py2cairo/meta.yaml b/py2cairo/meta.yaml deleted file mode 100644 index ca0ce3f..0000000 --- a/py2cairo/meta.yaml +++ /dev/null @@ -1,28 +0,0 @@ -package: - name: py2cairo - version: 1.10.0 - -source: - fn: py2cairo-1.10.0.tar.bz2 - url: http://cairographics.org/releases/py2cairo-1.10.0.tar.bz2 - md5: 20337132c4ab06c1146ad384d55372c5 - - patches: - - fix-waf-extension.patch - -build: - number: 2 - -requirements: - build: - - pkg-config - - cairo - - python - run: - - pkg-config - - cairo - - python - -about: - home: http://cairographics.org/pycairo/ - license: LGPL 2.1 and MPL 1.1 diff --git a/py3dmol/build.sh b/py3dmol/build.sh deleted file mode 100644 index d8d47f7..0000000 --- a/py3dmol/build.sh +++ /dev/null @@ -1,10 +0,0 @@ -#!/bin/bash - -pip install --no-deps https://files.pythonhosted.org/packages/f8/8a/4cf31928a03b13f30e8b00134565990331087145f6e5248fd1bd7dcc2631/py3Dmol-0.7.2-py2.py3-none-any.whl - - -# Add more build steps here, if they are necessary. - -# See -# http://docs.continuum.io/conda/build.html -# for a list of environment variables that are set during the build process. diff --git a/py3dmol/meta.yaml b/py3dmol/meta.yaml deleted file mode 100644 index 9b9d4f9..0000000 --- a/py3dmol/meta.yaml +++ /dev/null @@ -1,23 +0,0 @@ -# This file created for conda-build 3.10.9 -# -# ------------------------------------------------ - -package: - name: py3dmol - version: '0.7.2' - -requirements: - build: - - python - run: - - python - - IPython -test: - imports: - - py3Dmol -about: - home: https://github.com/3dmol/3Dmol.js/tree/master/py3Dmol - license: MIT - summary: A simple IPython/Jupyter widget to embed an interactive 3Dmol.js viewer in a notebook. - - diff --git a/pydot/bld.bat b/pydot/bld.bat deleted file mode 100644 index 0dcdc1e..0000000 --- a/pydot/bld.bat +++ /dev/null @@ -1,7 +0,0 @@ -"%PYTHON%" setup.py install - -:: Add more build steps here, if they are necessary. - -:: See -:: http://docs.continuum.io/conda/build.html -:: for a list of environment variables that are set during the build process. diff --git a/pydot/build.sh b/pydot/build.sh deleted file mode 100644 index 4d7fc03..0000000 --- a/pydot/build.sh +++ /dev/null @@ -1,9 +0,0 @@ -#!/bin/bash - -$PYTHON setup.py install - -# Add more build steps here, if they are necessary. - -# See -# http://docs.continuum.io/conda/build.html -# for a list of environment variables that are set during the build process. diff --git a/pydot/meta.yaml b/pydot/meta.yaml deleted file mode 100644 index b0bfa17..0000000 --- a/pydot/meta.yaml +++ /dev/null @@ -1,37 +0,0 @@ -package: - name: pydot - version: "2.0.1" - -source: - git_url: https://github.com/connie/pydot.git - -requirements: - build: - - pyparsing - - python - - setuptools - - run: - - graphviz - - pyparsing - - python - -test: - source_files: - - '*' - imports: - - pydot - - commands: - - cd $SRC_DIR/test ; python pydot_unittest.py [unix] - - cd %SRC_DIR%\test [win] - - python %SRC_DIR%\test\pydot_unittest.py [win] - -about: - home: https://github.com/connie/pydot - license: MIT - summary: 'Python interface to the Graphviz Dot language. With support for Python 3-x and compatibility with pyparsing >=2' - -# See -# http://docs.continuum.io/conda/build.html for -# more information about meta.yaml diff --git a/pyjulia/build.sh b/pyjulia/build.sh deleted file mode 100644 index 9d0a9d9..0000000 --- a/pyjulia/build.sh +++ /dev/null @@ -1,31 +0,0 @@ -python -m pip install --no-deps --ignore-installed . - -#mkdir $PREFIX/share/julia/site -#mkdir $PREFIX/share/julia/site/registries -#mkdir $PREFIX/share/julia/site/registries/General -#git clone https://github.com/JuliaRegistries/General.git $PREFIX/share/julia/site/registries/General - -#python -c "import julia; julia.install()" - -#rm -rf $PREFIX/share/julia/site/compiled/* - #var="const ROOTENV = \"${PREFIX}\"" - - unamestr=$(uname) - if [[ "$unamestr" == "Linux" ]]; then - sed -i 's|bin/python|bin/python3|g' $(which python-jl) #use python3 rather than python so python-jl works after linking - #for d in ${PREFIX}/share/julia/site/packages/Conda/*/ ; do - # sed -i "1s/.*/$var/" ${d}/deps/deps.jl - #done - elif [[ "$unamestr" == "Darwin" ]]; then - sed -i ".bak" 's|bin/python|bin/python3|g' $(which python-jl) #use python3 rather than python so python-jl works after linking - #for d in ${PREFIX}/share/julia/site/packages/Conda/*/ ; do - # echo $d - # sed -i ".bak" "1s|.*|$var|" ${d}/deps/deps.jl - #done - fi - -#echo $(which python-jl) -#echo $(which python) -#ln -sfn $(which python-jl) $(which python) -#python-jl -c "from julia import Main" -#python -c "from julia import Main" diff --git a/pyjulia/meta.yaml b/pyjulia/meta.yaml deleted file mode 100644 index 4356d78..0000000 --- a/pyjulia/meta.yaml +++ /dev/null @@ -1,39 +0,0 @@ -{% set version = "0.5.3" %} -{% set name = "julia" %} - -package: - name: pyjulia - version: {{ version }} - -source: - fn: {{ name }}-{{ version }}.tar.gz - url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz - sha256: b13207125709fdba069a25c4e54ff366f0bc308807b2aa0f3b66924101799c58 - -build: - number: '1' - string: rmg_1 - -requirements: - build: - - python=3.7 - - pip - - julia>1 - run: - - python=3.7 - - julia>1 - -test: - imports: - - julia - #commands: - #- python -c "from julia.api import Julia; jl = Julia(compiled_modules=False); from julia import Main" - #- python-jl -c "from julia import Main" - -about: - home: https://github.com/JuliaPy/pyjulia - license: MIT - license_file: 'LICENSE.md' - license_family: MIT - summary: "python interface to julia" - diff --git a/pyrdl/bld.bat b/pyrdl/bld.bat deleted file mode 100644 index ec64bc0..0000000 --- a/pyrdl/bld.bat +++ /dev/null @@ -1,14 +0,0 @@ -:: SET VS90COMNTOOLS=%VS140COMNTOOLS% - -mkdir build -cd build -cmake.exe -G"Visual Studio 14 2015" .. -DBUILD_PYTHON_WRAPPER=ON -if errorlevel 1 exit 1 -MSBuild.exe ALL_BUILD.vcxproj /property:Configuration=Release -if errorlevel 1 exit 1 - -:: Add more build steps here, if they are necessary. - -:: See -:: http://docs.continuum.io/conda/build.html -:: for a list of environment variables that are set during the build process. diff --git a/pyrdl/build.sh b/pyrdl/build.sh deleted file mode 100644 index 3164ef2..0000000 --- a/pyrdl/build.sh +++ /dev/null @@ -1,12 +0,0 @@ -#!/bin/bash - -mkdir build -cd build -cmake .. -DCMAKE_BUILD_TYPE=Release -DBUILD_PYTHON_WRAPPER=ON -make - -# Add more build steps here, if they are necessary. - -# See -# http://docs.continuum.io/conda/build.html -# for a list of environment variables that are set during the build process. diff --git a/pyrdl/meta.yaml b/pyrdl/meta.yaml deleted file mode 100644 index 4a0d95a..0000000 --- a/pyrdl/meta.yaml +++ /dev/null @@ -1,33 +0,0 @@ -package: - name: pyrdl - version: "1.1" - -source: - git_url: https://github.com/rareylab/RingDecomposerLib.git - git_rev: v1.1 - -build: - number: 0 - -requirements: - build: - - python - - cython - run: - - python - -test: - source_files: - - 'build/*' - - imports: - - py_rdl - - commands: - - cd build [unix] - - make test [unix] - -about: - home: https://github.com/rareylab/RingDecomposerLib - license: BSD-3-Clause - summary: RingDecomposerLib for calculation of Unique Ring Families (URFs) and other cycle bases (Relevant Cycles (RC), Smallest Set of Smallest Rings (SSSR)). diff --git a/pyrms/build.sh b/pyrms/build.sh deleted file mode 100644 index a85c71b..0000000 --- a/pyrms/build.sh +++ /dev/null @@ -1 +0,0 @@ -python -m pip install --no-deps --ignore-installed . \ No newline at end of file diff --git a/pyrms/meta.yaml b/pyrms/meta.yaml deleted file mode 100644 index ea75925..0000000 --- a/pyrms/meta.yaml +++ /dev/null @@ -1,45 +0,0 @@ -{% set version = "1.0.2" %} -{% set name = "pyrms" %} - -package: - name: pyrms - version: {{ version }} - -source: - git_rev: v1.0.2 # change to the version on GitHub to build - git_url: https://github.com/ReactionMechanismGenerator/pyrms.git - -build: - number: '1' - string: rmg_1 # change to no_rmg_dep if building for RMG - -requirements: - build: - - python=3.7 - - pip - run: - - python=3.7 - - julia>=1.3 - - diffeqpy - - pyjulia - - rmg>=3.0.0 # remove this if building for RMG - - rdkit - - pydot - - matplotlib - - pyyaml - -test: - imports: - - pyrms - #commands: - # - python -c "from julia.api import Julia; jl = Julia(compiled_modules=False); from pyrms import rms" - # - python-jl -c "from pyrms import rms" - # - nosetests pyrms/pyrms/rmsTest.py - -about: - home: https://github.com/ReactionMechanismGenerator/pyrms - license: MIT - #license_file: 'LICENSE.md' - #license_family: MIT - summary: "python interface to ReactionMechanismSimulator" - diff --git a/quantities/bld.bat b/quantities/bld.bat deleted file mode 100644 index 87b1481..0000000 --- a/quantities/bld.bat +++ /dev/null @@ -1,8 +0,0 @@ -"%PYTHON%" setup.py install -if errorlevel 1 exit 1 - -:: Add more build steps here, if they are necessary. - -:: See -:: http://docs.continuum.io/conda/build.html -:: for a list of environment variables that are set during the build process. diff --git a/quantities/build.sh b/quantities/build.sh deleted file mode 100644 index 4d7fc03..0000000 --- a/quantities/build.sh +++ /dev/null @@ -1,9 +0,0 @@ -#!/bin/bash - -$PYTHON setup.py install - -# Add more build steps here, if they are necessary. - -# See -# http://docs.continuum.io/conda/build.html -# for a list of environment variables that are set during the build process. diff --git a/quantities/meta.yaml b/quantities/meta.yaml deleted file mode 100644 index 833b31a..0000000 --- a/quantities/meta.yaml +++ /dev/null @@ -1,63 +0,0 @@ -package: - name: quantities - version: "0.10.1" - -source: - fn: quantities-0.10.1.tar.gz - url: https://pypi.python.org/packages/source/q/quantities/quantities-0.10.1.tar.gz - md5: e924e21c0a5ddc9ebcdacbbe511b8ec7 -# patches: - # List any patch files here - # - fix.patch - -# build: - # preserve_egg_dir: True - # entry_points: - # Put any entry points (scripts to be generated automatically) here. The - # syntax is module:function. For example - # - # - quantities = quantities:main - # - # Would create an entry point called quantities that calls quantities.main() - - - # If this is a new build for the same version, increment the build - # number. If you do not include this key, it defaults to 0. - # number: 1 - -requirements: - build: - - python - - run: - - python - - numpy - -test: - # Python imports - imports: - - quantities - - quantities.constants - - quantities.tests - - quantities.units - - # commands: - # You can put test commands to be run here. Use this to test that the - # entry points work. - - - # You can also put a file called run_test.py in the recipe that will be run - # at test time. - - # requires: - # Put any additional test requirements here. For example - # - nose - -about: - home: http://packages.python.org/quantities - license: BSD - summary: 'Support for physical quantities with units, based on numpy' - -# See -# http://docs.continuum.io/conda/build.html for -# more information about meta.yaml diff --git a/scoop/bld.bat b/scoop/bld.bat deleted file mode 100644 index 87b1481..0000000 --- a/scoop/bld.bat +++ /dev/null @@ -1,8 +0,0 @@ -"%PYTHON%" setup.py install -if errorlevel 1 exit 1 - -:: Add more build steps here, if they are necessary. - -:: See -:: http://docs.continuum.io/conda/build.html -:: for a list of environment variables that are set during the build process. diff --git a/scoop/build.sh b/scoop/build.sh deleted file mode 100644 index 4d7fc03..0000000 --- a/scoop/build.sh +++ /dev/null @@ -1,9 +0,0 @@ -#!/bin/bash - -$PYTHON setup.py install - -# Add more build steps here, if they are necessary. - -# See -# http://docs.continuum.io/conda/build.html -# for a list of environment variables that are set during the build process. diff --git a/scoop/meta.yaml b/scoop/meta.yaml deleted file mode 100644 index 05daca6..0000000 --- a/scoop/meta.yaml +++ /dev/null @@ -1,38 +0,0 @@ -package: - name: scoop - version: "0.7" - -source: - git_url: https://github.com/soravux/scoop.git - -requirements: - build: - - greenlet - - pyzmq - - python - - setuptools - - run: - - greenlet - - pyzmq - - python - -test: - source_files: - - '*' - imports: - - scoop - - commands: - - cd $SRC_DIR/test ; python -m scoop tests_parser.py - - cd $SRC_DIR/test ; python -m scoop tests_stat.py - - cd $SRC_DIR/test ; python -m scoop tests_stopwatch.py - -about: - home: https://github.com/soravux/scoop.git - license: GNU LESSER GENERAL PUBLIC LICENSE - summary: 'Scalable COncurrent Operations in Python' - -# See -# http://docs.continuum.io/conda/build.html for -# more information about meta.yaml diff --git a/symmetry/bld.bat b/symmetry/bld.bat deleted file mode 100644 index 829fdde..0000000 --- a/symmetry/bld.bat +++ /dev/null @@ -1,7 +0,0 @@ - -::mingw32-make -gcc -o symmetry -O3 -ansi -Wall symmetry.c -lm - -mkdir %PREFIX%\bin - -cp %SRC_DIR%\symmetry.exe %PREFIX%\Scripts\symmetry.exe diff --git a/zmats/build.sh b/zmats/build.sh deleted file mode 100644 index ffe88d3..0000000 --- a/zmats/build.sh +++ /dev/null @@ -1,4 +0,0 @@ -#!/bin/bash - -$PYTHON setup.py build -$PYTHON setup.py install diff --git a/zmats/meta.yaml b/zmats/meta.yaml deleted file mode 100644 index 25b07c2..0000000 --- a/zmats/meta.yaml +++ /dev/null @@ -1,37 +0,0 @@ -# This file created for conda-build 3.10.9 -# -# ------------------------------------------------ - -package: - name: zmats - version: '0.1.0' - -source: - git_url: https://github.com/ReactionMechanismGenerator/zmats.git - -build: - noarch: generic - -requirements: - build: - - python - run: - - numpy - - python - - qcelemental - - rmg>=3.0.0 - -test: - imports: - - zmats - -about: - home: https://github.com/ReactionMechanismGenerator/zmats - license: MIT - license_family: MIT - license_file: LICENSE - summary: 'A Z-matrix module written in Python' - -extra: - recipe-maintainers: - - alongd