# This file created by conda-build 3.19.1
# meta.yaml template originally from:
# /home/jaime/devel/py/omnia-md/conda-recipes/openmmforcefields, last modified Thu Jun 25 20:13:12 2020
# ------------------------------------------------

package:
    name: openmmforcefields
    version: 0.7.4
source:
    git_rev: 0.7.4
    git_url: https://github.com/openmm/openmmforcefields.git
build:
    noarch: python
    number: '0'
    preserve_egg_dir: true
    string: py_0
requirements:
    build:
        - _libgcc_mutex 0.1 conda_forge
        - _openmp_mutex 4.5 1_llvm
        - ambertools 20.4 py36h8684881_0
        - arpack 3.7.0 hc6cf775_1
        - attrs 19.3.0 py_0
        - backcall 0.2.0 pyh9f0ad1d_0
        - bleach 3.1.5 pyh9f0ad1d_0
        - boost 1.72.0 py36h9de70de_0
        - boost-cpp 1.72.0 h8e57a91_0
        - brotlipy 0.7.0 py36h8c4c3a4_1000
        - bson 0.5.9 py_0
        - bzip2 1.0.8 h516909a_2
        - ca-certificates 2020.6.20 hecda079_0
        - cairo 1.16.0 hcf35c78_1003
        - certifi 2020.6.20 py36h9f0ad1d_0
        - cffi 1.14.0 py36hd463f26_0
        - chardet 3.0.4 py36h9f0ad1d_1006
        - codecov 2.1.7 pyh9f0ad1d_0
        - coverage 5.1 py36h8c4c3a4_0
        - cryptography 2.9.2 py36h45558ae_0
        - curl 7.71.0 he644dc0_0
        - cycler 0.10.0 py_2
        - cython 0.29.20 py36h831f99a_0
        - decorator 4.4.2 py_0
        - defusedxml 0.6.0 py_0
        - entrypoints 0.3 py36h9f0ad1d_1001
        - fftw 3.3.8 nompi_h7f3a6c3_1111
        - fftw3f 3.3.4 2
        - fontconfig 2.13.1 h86ecdb6_1001
        - freetype 2.10.2 he06d7ca_0
        - gettext 0.19.8.1 hc5be6a0_1002
        - glib 2.65.0 h6f030ca_0
        - hdf4 4.2.13 hf30be14_1003
        - hdf5 1.10.6 nompi_h3c11f04_100
        - icu 64.2 he1b5a44_1
        - idna 2.9 py_1
        - importlib-metadata 1.6.1 py36h9f0ad1d_0
        - importlib_metadata 1.6.1 0
        - ipykernel 5.3.0 py36h95af2a2_0
        - ipython 7.15.0 py36h9f0ad1d_0
        - ipython_genutils 0.2.0 py_1
        - ipywidgets 7.5.1 py_0
        - jedi 0.17.1 py36h9f0ad1d_0
        - jinja2 2.11.2 pyh9f0ad1d_0
        - jpeg 9d h516909a_0
        - jsonschema 3.2.0 py36h9f0ad1d_1
        - jupyter_client 6.1.3 py_0
        - jupyter_core 4.6.3 py36h9f0ad1d_1
        - kiwisolver 1.2.0 py36hdb11119_0
        - krb5 1.17.1 hfafb76e_1
        - ld_impl_linux-64 2.34 h53a641e_5
        - libblas 3.8.0 16_openblas
        - libcblas 3.8.0 16_openblas
        - libcurl 7.71.0 hcdd3856_0
        - libedit 3.1.20191231 h46ee950_0
        - libffi 3.2.1 he1b5a44_1007
        - libgcc-ng 9.2.0 h24d8f2e_2
        - libgfortran-ng 7.5.0 hdf63c60_6
        - libgomp 9.2.0 h24d8f2e_2
        - libiconv 1.15 h516909a_1006
        - liblapack 3.8.0 16_openblas
        - libnetcdf 4.7.4 nompi_h84807e1_104
        - libopenblas 0.3.9 h5ec1e0e_0
        - libpng 1.6.37 hed695b0_1
        - libsodium 1.0.17 h516909a_0
        - libssh2 1.9.0 hab1572f_2
        - libstdcxx-ng 9.2.0 hdf63c60_2
        - libtiff 4.1.0 hc7e4089_6
        - libuuid 2.32.1 h14c3975_1000
        - libwebp-base 1.1.0 h516909a_3
        - libxcb 1.13 h14c3975_1002
        - libxml2 2.9.10 hee79883_0
        - libxslt 1.1.33 h31b3aaa_0
        - llvm-openmp 10.0.0 hc9558a2_0
        - lxml 4.5.1 py36h17c4326_0
        - lz4-c 1.9.2 he1b5a44_1
        - markupsafe 1.1.1 py36h8c4c3a4_1
        - matplotlib-base 3.2.2 py36hb8e4980_0
        - mistune 0.8.4 py36h8c4c3a4_1001
        - more-itertools 8.4.0 py_0
        - msgpack-python 1.0.0 py36hdb11119_1
        - nbconvert 5.6.1 py36h9f0ad1d_1
        - nbformat 5.0.6 py_0
        - ncurses 6.1 hf484d3e_1002
        - netcdf-fortran 4.5.3 nompi_hfef6a68_100
        - networkx 2.4 py_1
        - nglview 2.7.7 pyh5ca1d4c_1
        - notebook 6.0.3 py36h9f0ad1d_0
        - numpy 1.18.5 py36h7314795_0
        - olefile 0.46 py_0
        - openforcefield 0.7.0 py36_4
        - openforcefields 1.2.0 py36_0
        - openmm 7.4.2 py36_cuda101_rc_1
        - openssl 1.1.1g h516909a_0
        - packaging 20.4 pyh9f0ad1d_0
        - pandas 1.0.5 py36h830a2c2_0
        - pandoc 2.9.2.1 0
        - pandocfilters 1.4.2 py_1
        - parso 0.7.0 pyh9f0ad1d_0
        - pcre 8.44 he1b5a44_0
        - perl 5.26.2 h516909a_1006
        - pexpect 4.8.0 py36h9f0ad1d_1
        - pickleshare 0.7.5 py36h9f0ad1d_1001
        - pillow 7.1.2 py36h8328e55_0
        - pip 20.1.1 py_1
        - pixman 0.38.0 h516909a_1003
        - pluggy 0.13.1 py36h9f0ad1d_2
        - prometheus_client 0.8.0 pyh9f0ad1d_0
        - prompt-toolkit 3.0.5 py_1
        - pthread-stubs 0.4 h14c3975_1001
        - ptyprocess 0.6.0 py_1001
        - py 1.9.0 pyh9f0ad1d_0
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        - pygments 2.6.1 py_0
        - pyopenssl 19.1.0 py_1
        - pyparsing 2.4.7 pyh9f0ad1d_0
        - pyrsistent 0.16.0 py36h8c4c3a4_0
        - pysocks 1.7.1 py36h9f0ad1d_1
        - pytest 5.4.3 py36h9f0ad1d_0
        - pytest-cov 2.10.0 pyh9f0ad1d_0
        - python 3.6.10 h8356626_1011_cpython
        - python-dateutil 2.8.1 py_0
        - python_abi 3.6 1_cp36m
        - pytz 2020.1 pyh9f0ad1d_0
        - pyyaml 5.3.1 py36h8c4c3a4_0
        - pyzmq 19.0.1 py36h9947dbf_0
        - rdkit 2020.03.3 py36h866857e_0
        - readline 8.0 hf8c457e_0
        - requests 2.24.0 pyh9f0ad1d_0
        - scipy 1.4.1 py36h2d22cac_3
        - send2trash 1.5.0 py_0
        - setuptools 47.3.1 py36h9f0ad1d_0
        - six 1.15.0 pyh9f0ad1d_0
        - smirnoff99frosst 1.1.0 py36_1
        - sqlite 3.30.1 hcee41ef_0
        - terminado 0.8.3 py36h9f0ad1d_1
        - testpath 0.4.4 py_0
        - tinydb 4.1.1 pyh9f0ad1d_0
        - tk 8.6.10 hed695b0_0
        - toml 0.10.1 pyh9f0ad1d_0
        - tornado 6.0.4 py36h8c4c3a4_1
        - traitlets 4.3.3 py36h9f0ad1d_1
        - urllib3 1.25.9 py_0
        - wcwidth 0.2.5 pyh9f0ad1d_0
        - webencodings 0.5.1 py_1
        - wheel 0.34.2 py_1
        - widgetsnbextension 3.5.1 py36_0
        - xmltodict 0.12.0 py_0
        - xorg-kbproto 1.0.7 h14c3975_1002
        - xorg-libice 1.0.10 h516909a_0
        - xorg-libsm 1.2.3 h84519dc_1000
        - xorg-libx11 1.6.9 h516909a_0
        - xorg-libxau 1.0.9 h14c3975_0
        - xorg-libxdmcp 1.1.3 h516909a_0
        - xorg-libxext 1.3.4 h516909a_0
        - xorg-libxrender 0.9.10 h516909a_1002
        - xorg-libxt 1.2.0 h516909a_0
        - xorg-renderproto 0.11.1 h14c3975_1002
        - xorg-xextproto 7.3.0 h14c3975_1002
        - xorg-xproto 7.0.31 h14c3975_1007
        - xz 5.2.5 h516909a_0
        - yaml 0.2.5 h516909a_0
        - zeromq 4.3.2 he1b5a44_2
        - zipp 3.1.0 py_0
        - zlib 1.2.11 h516909a_1006
        - zstd 1.4.4 h6597ccf_3
    run:
        - ambertools >=18.0
        - codecov
        - lxml
        - networkx
        - openforcefield >=0.6.0
        - openforcefields >=1.0.0
        - openmm >=7.4.1
        - pip
        - pytest
        - pytest-cov
        - python
        - pyyaml
        - tinydb
about:
    description: Support for AMBER and CHARMM force fields and small molecule parameterization
        with GAFF and the Open Force Field Toolkit for OpenMM.
    home: https://github.com/openmmforcefields/openmmforcefields
    license: MIT
    license_file: LICENSE
extra:
    copy_test_source_files: true
    final: true
    upload: main
