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Revert changes from PR #365. These will be re-added in a separate PR.
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andrrizzi committed Sep 17, 2018
1 parent e0afad7 commit bf6e799
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7 changes: 6 additions & 1 deletion devtools/appveyor/install.ps1
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Expand Up @@ -7,7 +7,11 @@ $MINICONDA_URL = "http://repo.continuum.io/miniconda/"

function DownloadMiniconda ($python_version, $platform_suffix) {
$webclient = New-Object System.Net.WebClient
$filename = "Miniconda3-4.5.4-Windows-" + $platform_suffix + ".exe"
if ($python_version -match "3.4") {
$filename = "Miniconda3-3.7.3-Windows-" + $platform_suffix + ".exe"
} else {
$filename = "Miniconda-3.7.3-Windows-" + $platform_suffix + ".exe"
}
$url = $MINICONDA_URL + $filename

$basedir = $pwd.Path + "\"
Expand Down Expand Up @@ -82,6 +86,7 @@ function UpdateConda ($python_home) {
Start-Process -FilePath "$conda_path" -ArgumentList $args -Wait -Passthru
}


function main () {
InstallMiniconda $env:PYTHON_VERSION $env:PYTHON_ARCH $env:PYTHON
UpdateConda $env:PYTHON
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15 changes: 4 additions & 11 deletions devtools/conda-recipe/meta.yaml
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Expand Up @@ -27,26 +27,19 @@ requirements:
- numpy
- scipy
- six
- openmm >=7.2
- openmm
- parmed
- mdtraj
- pyyaml
# NetCDF4 on windows conda has DLL issues, so pin libnetcdf. Remove this later
- netcdf4
# - netcdf4 # [not win]
# - netcdf4 ==1.4.0=py*_0 # [win]
# - libnetcdf ==4.6.1=vc14_2 # [win]
# - hdf5 ==1.10.1=vc14_2 # [win]
# - blosc ==1.14.0=h6538335* # [win]
- pyyaml


test:
requires:
- nose
- pymbar
# Until the NetCDF issues are resolved, actual test runs are subject to run_test.[bat,sh]
# imports:
# - openmmtools
imports:
- openmmtools

about:
home: https://github.com/choderalab/openmmtools
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15 changes: 0 additions & 15 deletions docs/releasehistory.rst
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Expand Up @@ -15,9 +15,6 @@ New features
control global variables (`#363 <https://github.com/choderalab/openmmtools/pull/363>`_).
- Allow restraint force classes to be controlled by a parameter other than ``lambda_restraints``. This will enable
multi-restraints simulations (`#363 <https://github.com/choderalab/openmmtools/pull/363>`_).
- ``RadiallySymmetricRestraintForce`` and all subclasses are now a ``CustomCVForce`` subclass wrapping their
respective ``CustomBondForce`` and ``CustomCentroidBondForce`` objects. This breaks backwards compatibility, but
enables tracking the restraint distances through the new ``SamplerSate`` collective variable features.

Deprecated
----------
Expand All @@ -27,18 +24,6 @@ Deprecated
- Deprecated ``update_alchemical_charges`` in ``AlchemicalState`` in anticipation of the new implementation of the
exact PME that will be based on the ``NonbondedForce`` offsets rather than ``updateParametersInContext()``.

Compatibility Warnings
----------------------
- ``RadiallySymmetricRestraintForce``'s conversion to ``CustomCVForce``'s break the backwards compatibility with older
codes which implement subclasses of it. The largest change is how the Energy Function is implemented, and subclass
hierarchy. E.g. All these classes are now ``CustomCVForce``'s instead of ``CustomBondForce`` and
``CustomCentroidBondForce`` objects.

- This affects ``RadiallySymmetricRestraintForce``,
``RadiallySymmetricCentroidRestraintForce``, ``RadiallySymmetricBondRestraintForce``,
``HarmonicRestraintForceMixIn``, ``HarmonicRestraintForce``, ``HarmonicRestraintBondForce``,
``FlatBottomRestraintForceMixIn``, ``FlatBottomRestraintForce``, and ``FlatBottomRestraintBondForce``.


0.15.0 - Restraint forces
=========================
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