diff --git a/.all-contributorsrc b/.all-contributorsrc
index 005022f607..ed984ed15b 100644
--- a/.all-contributorsrc
+++ b/.all-contributorsrc
@@ -692,7 +692,8 @@
"profile": "https://github.com/kratman",
"contributions": [
"doc",
- "infra"
+ "infra",
+ "bug"
]
}
],
diff --git a/.github/release_checklist.md b/.github/release_checklist.md
deleted file mode 100644
index f461d471e0..0000000000
--- a/.github/release_checklist.md
+++ /dev/null
@@ -1,14 +0,0 @@
-- Run `scripts/update_version.py` to
-
- - Increment version number in
- - `pybamm/version.py`
- - `docs/conf.py`
- - `CITATION.cff`
- - `vcpkg.json`
- - `docs/source/_static/versions.json`, and check if any links fail
-
- - Update baseline of registries in `vcpkg-configuration.json` as the latest commit id from [pybamm-team/sundials-vcpkg-registry](https://github.com/pybamm-team/sundials-vcpkg-registry)
- - Update `CHANGELOG.md` with a summary of the release
-
-- Update jax and jaxlib to latest version in `pybamm.util` and fix any bugs that arise
-- If building wheels on Windows gives a `vcpkg` related error - revert the baseline of default-registry to a stable commit in `vcpkg-configuration.json`
diff --git a/.github/release_reminder.md b/.github/release_reminder.md
new file mode 100644
index 0000000000..2515166837
--- /dev/null
+++ b/.github/release_reminder.md
@@ -0,0 +1,9 @@
+---
+title: Create {{ date | date('YY.MM') }} (final or rc0) release
+---
+Quarterly reminder to create a -
+
+1. pre-release if the month has just started.
+2. non-pre-release if the month is about to end (**before the end of the month**).
+
+See [Release Workflow](./release_workflow.md) for more information.
diff --git a/.github/release_workflow.md b/.github/release_workflow.md
new file mode 100644
index 0000000000..04f0667773
--- /dev/null
+++ b/.github/release_workflow.md
@@ -0,0 +1,74 @@
+# Release workflow
+
+This file contains the workflow required to make a `PyBaMM` release on GitHub and PyPI by the maintainers.
+
+## rc0 releases (automated)
+
+1. The `update_version.yml` workflow will run on every 1st of January, May and September, updating incrementing the version to `YY.MMrc0` by running `scripts/update_version.py` in the following files -
+
+ - `pybamm/version.py`
+ - `docs/conf.py`
+ - `CITATION.cff`
+ - `vcpkg.json`
+ - `docs/_static/versions.json`
+ - `CHANGELOG.md`
+
+ These changes will be automatically pushed to a new branch `YY.MM`.
+
+2. Create a new GitHub _pre-release_ with the tag `YY.MMrc0` from the `YY.MM` branch and a description copied from `CHANGELOG.md`.
+
+3. This release will automatically trigger `publish_pypi.yml` and create a _pre-release_ on PyPI.
+
+## rcX releases (manual)
+
+If a new release candidate is required after the release of `rc0` -
+
+1. Fix a bug in `YY.MM` (no new features should be added to `YY.MM` once `rc0` is released) and `develop` individually.
+
+2. Run `update_version.yml` manually while using `append_to_tag` to specify the release candidate version number (`rc1`, `rc2`, ...).
+
+3. This will increment the version to `YY.MMrcX` by running `scripts/update_version.py` in the following files -
+
+ - `pybamm/version.py`
+ - `docs/conf.py`
+ - `CITATION.cff`
+ - `vcpkg.json`
+ - `docs/_static/versions.json`
+ - `CHANGELOG.md`
+
+ These changes will be automatically pushed to the existing branch `YY.MM`.
+
+4. Create a new GitHub _pre-release_ with the same tag (`YY.MMrcX`) from the `YY.MM` branch and a description copied from `CHANGELOG.md`.
+
+5. This release will automatically trigger `publish_pypi.yml` and create a _pre-release_ on PyPI.
+
+## Actual release (manual)
+
+Once satisfied with the release candidates -
+
+1. Run `update_version.yml` manually, leaving the `append_to_tag` field blank ("") for an actual release.
+
+2. This will increment the version to `YY.MMrcX` by running `scripts/update_version.py` in the following files -
+
+ - `pybamm/version.py`
+ - `docs/conf.py`
+ - `CITATION.cff`
+ - `vcpkg.json`
+ - `docs/_static/versions.json`
+ - `CHANGELOG.md`
+
+ These changes will be automatically pushed to the existing branch `YY.MM`.
+
+3. Next, a PR from `YY.MM` to `main` will be generated that should be merged once all the tests pass.
+
+4. Create a new GitHub _release_ with the same tag from the `main` branch and a description copied from `CHANGELOG.md`.
+
+5. This release will automatically trigger `publish_pypi.yml` and create a _release_ on PyPI.
+
+## Other checks
+
+Some other essential things to check throughout the release process -
+
+- If updating our custom vcpkg registory entries [pybamm-team/sundials-vcpkg-registry](https://github.com/pybamm-team/sundials-vcpkg-registry) or [pybamm-team/casadi-vcpkg-registry](https://github.com/pybamm-team/casadi-vcpkg-registry) (used to build Windows wheels), make sure to update the baseline of the registories in vcpkg-configuration.json to the latest commit id.
+- Update jax and jaxlib to the latest version in `pybamm.util` and `setup.py`, fixing any bugs that arise
+- Make sure the URLs in `docs/_static/versions.json` are valid
diff --git a/.github/workflows/create_release.yml b/.github/workflows/create_release.yml
deleted file mode 100644
index 8d029d3bc5..0000000000
--- a/.github/workflows/create_release.yml
+++ /dev/null
@@ -1,50 +0,0 @@
-name: Create GitHub release
-
-on:
- push:
- branches: main
- workflow_dispatch:
-
-jobs:
- create-release:
- # This workflow is only of value to PyBaMM and would always be skipped in forks
- if: github.repository_owner == 'pybamm-team'
- runs-on: ubuntu-latest
- permissions:
- contents: write
- strategy:
- matrix:
- python-version: [3.8]
-
- steps:
- - uses: actions/checkout@v4
-
- - name: Get current date
- run: |
- echo "VERSION=$(date +'v%y.%-m')" >> $GITHUB_ENV
- echo "TODAY=$(date +'%d')" >> $GITHUB_ENV
-
- - name: Fail the job if date < 20
- if: env.TODAY < 20
- uses: actions/github-script@v6
- with:
- script: core.setFailed('This workflow should be triggered only at the end of the month, or else it will create a release for the wrong month.')
-
- - name: Set up Python ${{ matrix.python-version }}
- uses: actions/setup-python@v4
- with:
- python-version: ${{ matrix.python-version }}
-
- - name: Install dependencies
- run: |
- pip install wheel
- pip install --editable .
-
- - name: Get Changelog
- run: python -c "from scripts.update_version import get_changelog; get_changelog()"
-
- - name: Create release
- uses: softprops/action-gh-release@v1
- with:
- tag_name: ${{ env.VERSION }}
- body_path: CHANGELOG.md
diff --git a/.github/workflows/publish_pypi.yml b/.github/workflows/publish_pypi.yml
index 54dd70d5a7..919a00d6ef 100644
--- a/.github/workflows/publish_pypi.yml
+++ b/.github/workflows/publish_pypi.yml
@@ -1,18 +1,18 @@
name: Build and publish package to PyPI
on:
- push:
- branches: main
+ release:
+ types: [published]
workflow_dispatch:
inputs:
target:
description: 'Deployment target. Can be "pypi" or "testpypi"'
default: "pypi"
debug_enabled:
- type: boolean
- description: 'Run the build with tmate debugging enabled (https://github.com/marketplace/actions/debugging-with-tmate)'
- required: false
- default: false
+ type: boolean
+ description: 'Run the build with tmate debugging enabled (https://github.com/marketplace/actions/debugging-with-tmate)'
+ required: false
+ default: false
jobs:
build_windows_wheels:
@@ -130,15 +130,12 @@ jobs:
build_sdist:
name: Build sdist
runs-on: ubuntu-latest
- strategy:
- matrix:
- python-version: [3.8]
steps:
- uses: actions/checkout@v4
- uses: actions/setup-python@v4
with:
- python-version: ${{ matrix.python-version }}
+ python-version: 3.8
- name: Install dependencies
run: pip install wheel
diff --git a/.github/workflows/release_reminder.yml b/.github/workflows/release_reminder.yml
new file mode 100644
index 0000000000..204ace0b68
--- /dev/null
+++ b/.github/workflows/release_reminder.yml
@@ -0,0 +1,21 @@
+name: Create a release reminder
+
+on:
+ schedule:
+ # Run at 10 am UTC on days-of-month 1 and 28 in January, May, and September.
+ - cron: "0 10 1,28 1,5,9 *"
+
+permissions:
+ contents: read
+ issues: write
+
+jobs:
+ remind:
+ runs-on: ubuntu-latest
+ steps:
+ - uses: actions/checkout@v3
+ - uses: JasonEtco/create-an-issue@v2
+ env:
+ GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+ with:
+ filename: .github/release_reminder.md
diff --git a/.github/workflows/update_version.yml b/.github/workflows/update_version.yml
index 7488c40aa2..472de06f0e 100644
--- a/.github/workflows/update_version.yml
+++ b/.github/workflows/update_version.yml
@@ -2,51 +2,73 @@ name: Update version
on:
workflow_dispatch:
+ inputs:
+ append_to_tag:
+ description: 'Leave blank for an actual release or "rc1", "rc2", ..., for release candidates."'
+ default: ""
+ schedule:
+ # Run at 10 am UTC on day-of-month 1 in January, May, and September.
+ - cron: "0 10 1 1,5,9 *"
jobs:
update-version:
# This workflow is only of value to PyBaMM and would always be skipped in forks
if: github.repository_owner == 'pybamm-team'
runs-on: ubuntu-latest
- strategy:
- matrix:
- python-version: [3.8]
steps:
+ - name: Get current date for the first release candidate
+ if: github.event_name == 'schedule'
+ run: |
+ echo "VERSION=$(date +'v%y.%-m')rc0" >> $GITHUB_ENV
+ echo "NON_RC_VERSION=$(date +'v%y.%-m')" >> $GITHUB_ENV
+
+ - name: Get current date for a manual release
+ if: github.event_name == 'workflow_dispatch'
+ run: |
+ echo "VERSION=$(date +'v%y.%-m')${{ github.event.inputs.append_to_tag }}" >> $GITHUB_ENV
+ echo "NON_RC_VERSION=$(date +'v%y.%-m')" >> $GITHUB_ENV
+
+ - uses: actions/checkout@v4
+ if: github.event_name == 'schedule'
+ with:
+ ref: 'develop'
+
- uses: actions/checkout@v4
+ if: github.event_name == 'workflow_dispatch'
+ with:
+ ref: '${{ env.NON_RC_VERSION }}'
- - name: Set up Python ${{ matrix.python-version }}
+ - name: Set up Python
uses: actions/setup-python@v4
with:
- python-version: ${{ matrix.python-version }}
+ python-version: 3.8
- name: Install dependencies
run: |
pip install wheel
- pip install --editable .
-
- - name: Get current date
- run: echo "VERSION=$(date +'v%y.%-m')" >> $GITHUB_ENV
+ pip install --editable ".[all]"
- name: Update version
run: python scripts/update_version.py
- - name: Create Pull Request
- id: version_pr
- uses: peter-evans/create-pull-request@v5
+ - uses: EndBug/add-and-commit@v9
+ if: github.event_name == 'schedule'
with:
- delete-branch: true
- branch-suffix: short-commit-hash
- commit-message: Update version to ${{ env.VERSION }}
- title: Update to ${{ env.VERSION }}
- body: |
- - [x] Update to ${{ env.VERSION }}
- - [ ] Check the [release checklist](https://github.com/pybamm-team/PyBaMM/blob/develop/.github/release_checklist.md)
-
- - name: Make a PR from develop to main
+ message: 'Bump to ${{ env.VERSION }}'
+ new_branch: '${{ env.NON_RC_VERSION }}'
+
+ - uses: EndBug/add-and-commit@v9
+ if: github.event_name == 'workflow_dispatch'
+ with:
+ message: 'Bump to ${{ env.VERSION }}'
+
+ - name: Make a PR from ${{ env.NON_RC_VERSION }} to main
+ if: github.event_name == 'workflow_dispatch' && !startsWith(github.event.inputs.append_to_tag, 'rc')
uses: repo-sync/pull-request@v2
with:
+ source_branch: '${{ env.NON_RC_VERSION }}'
destination_branch: "main"
- pr_title: "Make release ${{ env.VERSION }}"
- pr_body: "**DO NOT MERGE UNTIL #${{ steps.version_pr.outputs.pull-request-number }} IS MERGED.**Tom Maull 💻 ⚠️ ejfdickinson 🤔 🐛 bobonice 🐛 💻 Eric G. Kratz 📖 🚇 Eric G. Kratz 📖 🚇 🐛 "
+ ""
]
},
- "metadata": {
- "needs_background": "light"
- },
+ "metadata": {},
"output_type": "display_data"
}
],
@@ -142,6 +160,7 @@
"plt.grid(True)\n",
"plt.xlabel(r\"Discharge Capacity (Ah)\")\n",
"plt.ylabel(r\"$\\vert V - V_{comsol} \\vert$\")\n",
+ "colors = iter(plt.cycler(color='bgrcmyk'))\n",
"\n",
"# loop over C_rates dict to create plot\n",
"for key, C_rate in C_rates.items():\n",
@@ -175,7 +194,7 @@
" voltage_difference = np.abs(voltage_sol[0:end_index] - comsol_voltage[0:end_index])\n",
"\n",
" # plot discharge curves and absolute voltage_difference\n",
- " color = next(ax._get_lines.prop_cycler)[\"color\"]\n",
+ " color = next(colors)[\"color\"]\n",
" discharge_curve.plot(\n",
" comsol_discharge_capacity, comsol_voltage, color=color, linestyle=\":\"\n",
" )\n",
@@ -209,7 +228,12 @@
{
"cell_type": "code",
"execution_count": 5,
- "metadata": {},
+ "metadata": {
+ "ExecuteTime": {
+ "end_time": "2023-09-16T18:29:54.229743Z",
+ "start_time": "2023-09-16T18:29:54.225157Z"
+ }
+ },
"outputs": [
{
"name": "stdout",
@@ -227,6 +251,13 @@
"source": [
"pybamm.print_citations()"
]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": null,
+ "metadata": {},
+ "outputs": [],
+ "source": []
}
],
"metadata": {
@@ -245,7 +276,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
- "version": "3.9.0"
+ "version": "3.9.18"
},
"toc": {
"base_numbering": 1,
diff --git a/examples/scripts/compare_comsol/discharge_curve.py b/examples/scripts/compare_comsol/discharge_curve.py
index 02a3199b80..b5cc23d946 100644
--- a/examples/scripts/compare_comsol/discharge_curve.py
+++ b/examples/scripts/compare_comsol/discharge_curve.py
@@ -53,6 +53,7 @@
plt.grid(True)
plt.xlabel(r"Discharge Capacity (Ah)", fontsize=20)
plt.ylabel(r"$\vert V - V_{comsol} \vert$", fontsize=20)
+colors = iter(plt.cycler(color='bgrcmyk'))
for key, C_rate in C_rates.items():
current = 24 * C_rate
@@ -85,7 +86,7 @@
voltage_difference = np.abs(voltage_sol[0:end_index] - comsol_voltage[0:end_index])
# plot discharge curves and absolute voltage_difference
- color = next(ax._get_lines.prop_cycler)["color"]
+ color = next(colors)["color"]
discharge_curve.plot(
comsol_discharge_capacity, comsol_voltage, color=color, linestyle=":"
)
diff --git a/pybamm/experiment/experiment.py b/pybamm/experiment/experiment.py
index edcaeb8f58..d1c45015b6 100644
--- a/pybamm/experiment/experiment.py
+++ b/pybamm/experiment/experiment.py
@@ -68,11 +68,6 @@ def __init__(
termination,
)
- self.datetime_formats = [
- "Day %j %H:%M:%S",
- "%Y-%m-%d %H:%M:%S",
- ]
-
operating_conditions_cycles = []
for cycle in operating_conditions:
# Check types and convert to list
@@ -89,21 +84,36 @@ def __init__(
# Convert strings to pybamm.step._Step objects
# We only do this once per unique step, do avoid unnecessary conversions
- unique_steps_unprocessed = set(operating_conditions_steps_unprocessed)
+ # Assign experiment period and temperature if not specified in step
+ self.period = _convert_time_to_seconds(period)
+ self.temperature = _convert_temperature_to_kelvin(temperature)
+
processed_steps = {}
- for step in unique_steps_unprocessed:
- if isinstance(step, str):
- processed_steps[step] = pybamm.step.string(step)
+ for step in operating_conditions_steps_unprocessed:
+ if repr(step) in processed_steps:
+ continue
+ elif isinstance(step, str):
+ processed_step = pybamm.step.string(step)
elif isinstance(step, pybamm.step._Step):
- processed_steps[step] = step
+ processed_step = step
+
+ if processed_step.period is None:
+ processed_step.period = self.period
+ if processed_step.temperature is None:
+ processed_step.temperature = self.temperature
+
+ processed_steps[repr(step)] = processed_step
+
+ self.operating_conditions_steps = [
+ processed_steps[repr(step)]
+ for step in operating_conditions_steps_unprocessed
+ ]
# Save the processed unique steps and the processed operating conditions
# for every step
self.unique_steps = set(processed_steps.values())
- self.operating_conditions_steps = [
- processed_steps[step] for step in operating_conditions_steps_unprocessed
- ]
+ # Allocate experiment global variables
self.initial_start_time = self.operating_conditions_steps[0].start_time
if (
@@ -118,15 +128,6 @@ def __init__(
self.termination_string = termination
self.termination = self.read_termination(termination)
- # Modify steps with period and temperature in place
- self.period = _convert_time_to_seconds(period)
- self.temperature = _convert_temperature_to_kelvin(temperature)
- for step in self.unique_steps:
- if step.period is None:
- step.period = self.period
- if step.temperature is None:
- step.temperature = self.temperature
-
def __str__(self):
return str(self.operating_conditions_cycles)
diff --git a/pybamm/parameters/bpx.py b/pybamm/parameters/bpx.py
index 8f555fa9a8..8efd26cd57 100644
--- a/pybamm/parameters/bpx.py
+++ b/pybamm/parameters/bpx.py
@@ -119,6 +119,9 @@ def _bpx_to_param_dict(bpx: BPX) -> dict:
# reference temperature
T_ref = pybamm_dict["Reference temperature [K]"]
+ def arrhenius(Ea, T):
+ return exp(Ea / constants.R * (1 / T_ref - 1 / T))
+
# lumped parameters
for name in [
"Specific heat capacity [J.K-1.kg-1]",
@@ -258,10 +261,12 @@ def _positive_electrode_entropic_change(sto, c_s_max):
"Maximum concentration in " + negative_electrode.pre_name.lower() + "[mol.m-3]"
]
k_n_norm = pybamm_dict[
- negative_electrode.pre_name + "reaction rate constant [mol.m-2.s-1]"
+ negative_electrode.pre_name
+ + "reaction rate constant [mol.m-2.s-1]"
]
- E_a_n = pybamm_dict.get(
- negative_electrode.pre_name + "reaction rate activation energy [J.mol-1]", 0.0
+ Ea_k_n = pybamm_dict.get(
+ negative_electrode.pre_name
+ + "reaction rate constant activation energy [J.mol-1]", 0.0
)
# Note that in BPX j = 2*F*k_norm*sqrt((ce/ce0)*(c/c_max)*(1-c/c_max))*sinh(...),
# and in PyBaMM j = 2*k*sqrt(ce*c*(c_max - c))*sinh(...)
@@ -270,10 +275,9 @@ def _positive_electrode_entropic_change(sto, c_s_max):
def _negative_electrode_exchange_current_density(c_e, c_s_surf, c_s_max, T):
k_ref = k_n # (A/m2)(m3/mol)**1.5 - includes ref concentrations
- arrhenius = exp(E_a_n / constants.R * (1 / T_ref - 1 / T))
return (
k_ref
- * arrhenius
+ * arrhenius(Ea_k_n, T)
* c_e**0.5
* c_s_surf**0.5
* (c_s_max - c_s_surf) ** 0.5
@@ -288,10 +292,12 @@ def _negative_electrode_exchange_current_density(c_e, c_s_surf, c_s_max, T):
"Maximum concentration in " + positive_electrode.pre_name.lower() + "[mol.m-3]"
]
k_p_norm = pybamm_dict[
- positive_electrode.pre_name + "reaction rate constant [mol.m-2.s-1]"
+ positive_electrode.pre_name
+ + "reaction rate constant [mol.m-2.s-1]"
]
- E_a_p = pybamm_dict.get(
- positive_electrode.pre_name + "reaction rate activation energy [J.mol-1]", 0.0
+ Ea_k_p = pybamm_dict.get(
+ positive_electrode.pre_name
+ + "reaction rate constant activation energy [J.mol-1]", 0.0
)
# Note that in BPX j = 2*F*k_norm*sqrt((ce/ce0)*(c/c_max)*(1-c/c_max))*sinh(...),
# and in PyBaMM j = 2*k*sqrt(ce*c*(c_max - c))*sinh(...)
@@ -300,10 +306,9 @@ def _negative_electrode_exchange_current_density(c_e, c_s_surf, c_s_max, T):
def _positive_electrode_exchange_current_density(c_e, c_s_surf, c_s_max, T):
k_ref = k_p # (A/m2)(m3/mol)**1.5 - includes ref concentrations
- arrhenius = exp(E_a_p / constants.R * (1 / T_ref - 1 / T))
return (
k_ref
- * arrhenius
+ * arrhenius(Ea_k_p, T)
* c_e**0.5
* c_s_surf**0.5
* (c_s_max - c_s_surf) ** 0.5
@@ -316,7 +321,7 @@ def _positive_electrode_exchange_current_density(c_e, c_s_surf, c_s_max, T):
# diffusivity
# negative electrode
- E_a = pybamm_dict.get(
+ Ea_D_n = pybamm_dict.get(
negative_electrode.pre_name + "diffusivity activation energy [J.mol-1]", 0.0
)
D_n_ref = pybamm_dict[negative_electrode.pre_name + "diffusivity [m2.s-1]"]
@@ -324,30 +329,27 @@ def _positive_electrode_exchange_current_density(c_e, c_s_surf, c_s_max, T):
if callable(D_n_ref):
def _negative_electrode_diffusivity(sto, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
- return arrhenius * D_n_ref(sto)
+ return arrhenius(Ea_D_n, T) * D_n_ref(sto)
elif isinstance(D_n_ref, tuple):
def _negative_electrode_diffusivity(sto, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
name, (x, y) = D_n_ref
- return arrhenius * pybamm.Interpolant(
+ return arrhenius(Ea_D_n, T) * pybamm.Interpolant(
x, y, sto, name=name, interpolator="linear"
)
else:
def _negative_electrode_diffusivity(sto, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
- return arrhenius * D_n_ref
+ return arrhenius(Ea_D_n, T) * D_n_ref
pybamm_dict[negative_electrode.pre_name + "diffusivity [m2.s-1]"] = _copy_func(
_negative_electrode_diffusivity
)
# positive electrode
- E_a = pybamm_dict.get(
+ Ea_D_p = pybamm_dict.get(
positive_electrode.pre_name + "diffusivity activation energy [J.mol-1]", 0.0
)
D_p_ref = pybamm_dict[positive_electrode.pre_name + "diffusivity [m2.s-1]"]
@@ -355,30 +357,27 @@ def _negative_electrode_diffusivity(sto, T):
if callable(D_p_ref):
def _positive_electrode_diffusivity(sto, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
- return arrhenius * D_p_ref(sto)
+ return arrhenius(Ea_D_p, T) * D_p_ref(sto)
elif isinstance(D_p_ref, tuple):
def _positive_electrode_diffusivity(sto, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
name, (x, y) = D_p_ref
- return arrhenius * pybamm.Interpolant(
+ return arrhenius(Ea_D_p, T) * pybamm.Interpolant(
x, y, sto, name=name, interpolator="linear"
)
else:
def _positive_electrode_diffusivity(sto, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
- return arrhenius * D_p_ref
+ return arrhenius(Ea_D_p, T) * D_p_ref
pybamm_dict[positive_electrode.pre_name + "diffusivity [m2.s-1]"] = _copy_func(
_positive_electrode_diffusivity
)
# electrolyte
- E_a = pybamm_dict.get(
+ Ea_D_e = pybamm_dict.get(
electrolyte.pre_name + "diffusivity activation energy [J.mol-1]", 0.0
)
D_e_ref = pybamm_dict[electrolyte.pre_name + "diffusivity [m2.s-1]"]
@@ -386,54 +385,48 @@ def _positive_electrode_diffusivity(sto, T):
if callable(D_e_ref):
def _electrolyte_diffusivity(sto, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
- return arrhenius * D_e_ref(sto)
+ return arrhenius(Ea_D_e, T) * D_e_ref(sto)
elif isinstance(D_e_ref, tuple):
def _electrolyte_diffusivity(sto, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
name, (x, y) = D_e_ref
- return arrhenius * pybamm.Interpolant(
+ return arrhenius(Ea_D_e, T) * pybamm.Interpolant(
x, y, sto, name=name, interpolator="linear"
)
else:
def _electrolyte_diffusivity(sto, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
- return arrhenius * D_e_ref
+ return arrhenius(Ea_D_e, T) * D_e_ref
pybamm_dict[electrolyte.pre_name + "diffusivity [m2.s-1]"] = _copy_func(
_electrolyte_diffusivity
)
# conductivity
- E_a = pybamm_dict.get(
+ Ea_sigma_e = pybamm_dict.get(
electrolyte.pre_name + "conductivity activation energy [J.mol-1]", 0.0
)
- C_e_ref = pybamm_dict[electrolyte.pre_name + "conductivity [S.m-1]"]
+ sigma_e_ref = pybamm_dict[electrolyte.pre_name + "conductivity [S.m-1]"]
- if callable(C_e_ref):
+ if callable(sigma_e_ref):
def _conductivity(c_e, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
- return arrhenius * C_e_ref(c_e)
+ return arrhenius(Ea_sigma_e, T) * sigma_e_ref(c_e)
- elif isinstance(C_e_ref, tuple):
+ elif isinstance(sigma_e_ref, tuple):
def _conductivity(c_e, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
- name, (x, y) = C_e_ref
- return arrhenius * pybamm.Interpolant(
+ name, (x, y) = sigma_e_ref
+ return arrhenius(Ea_sigma_e, T) * pybamm.Interpolant(
x, y, c_e, name=name, interpolator="linear"
)
else:
def _conductivity(c_e, T):
- arrhenius = exp(E_a / constants.R * (1 / T_ref - 1 / T))
- return arrhenius * C_e_ref
+ return arrhenius(Ea_sigma_e, T) * sigma_e_ref
pybamm_dict[electrolyte.pre_name + "conductivity [S.m-1]"] = _copy_func(
_conductivity
diff --git a/pybamm/simulation.py b/pybamm/simulation.py
index b25b76f859..4b65b973aa 100644
--- a/pybamm/simulation.py
+++ b/pybamm/simulation.py
@@ -255,7 +255,7 @@ def set_up_and_parameterise_model_for_experiment(self):
parameterised_model = new_parameter_values.process_model(
new_model, inplace=False
)
- self.experiment_unique_steps_to_model[repr(op)] = parameterised_model
+ self.experiment_unique_steps_to_model[op.basic_repr()] = parameterised_model
# Set up rest model if experiment has start times
if self.experiment.initial_start_time:
@@ -778,8 +778,8 @@ def solve(
else:
dt = op_conds.duration
op_conds_str = str(op_conds)
- model = self.op_conds_to_built_models[repr(op_conds)]
- solver = self.op_conds_to_built_solvers[repr(op_conds)]
+ model = self.op_conds_to_built_models[op_conds.basic_repr()]
+ solver = self.op_conds_to_built_solvers[op_conds.basic_repr()]
logs["step number"] = (step_num, cycle_length)
logs["step operating conditions"] = op_conds_str
diff --git a/pybamm/solvers/solution.py b/pybamm/solvers/solution.py
index ecc8f7b702..4c9ccb993d 100644
--- a/pybamm/solvers/solution.py
+++ b/pybamm/solvers/solution.py
@@ -443,7 +443,7 @@ def initial_start_time(self):
@initial_start_time.setter
def initial_start_time(self, value):
- """Updates the reason for termination"""
+ """Updates the initial start time of the experiment"""
self._initial_start_time = value
def set_summary_variables(self, all_summary_variables):
diff --git a/pybamm/step/_steps_util.py b/pybamm/step/_steps_util.py
index 879461b73c..e524bc6064 100644
--- a/pybamm/step/_steps_util.py
+++ b/pybamm/step/_steps_util.py
@@ -71,22 +71,25 @@ def __init__(
):
self.type = typ
- # Record all the args for repr
- self.args = f"{typ}, {value}"
+ # Record all the args for repr and hash
+ self.repr_args = f"{typ}, {value}"
+ self.hash_args = f"{typ}, {value}"
if duration:
- self.args += f", duration={duration}"
+ self.repr_args += f", duration={duration}"
if termination:
- self.args += f", termination={termination}"
+ self.repr_args += f", termination={termination}"
+ self.hash_args += f", termination={termination}"
if period:
- self.args += f", period={period}"
+ self.repr_args += f", period={period}"
if temperature:
- self.args += f", temperature={temperature}"
+ self.repr_args += f", temperature={temperature}"
+ self.hash_args += f", temperature={temperature}"
if tags:
- self.args += f", tags={tags}"
+ self.repr_args += f", tags={tags}"
if start_time:
- self.args += f", start_time={start_time}"
+ self.repr_args += f", start_time={start_time}"
if description:
- self.args += f", description={description}"
+ self.repr_args += f", description={description}"
# Check if drive cycle
self.is_drive_cycle = isinstance(value, np.ndarray)
@@ -158,7 +161,15 @@ def __str__(self):
return repr(self)
def __repr__(self):
- return f"_Step({self.args})"
+ return f"_Step({self.repr_args})"
+
+ def basic_repr(self):
+ """
+ Return a basic representation of the step, only with type, value, termination
+ and temperature, which are the variables involved in processing the model. Also
+ used for hashing.
+ """
+ return f"_Step({self.hash_args})"
def to_dict(self):
"""
@@ -184,13 +195,11 @@ def to_dict(self):
def __eq__(self, other):
return (
isinstance(other, _Step)
- and self.__repr__() == other.__repr__()
- and self.next_start_time == other.next_start_time
- and self.end_time == other.end_time
+ and self.hash_args == other.hash_args
)
def __hash__(self):
- return hash(repr(self))
+ return hash(self.basic_repr())
@property
def unit(self):
diff --git a/scripts/update_version.py b/scripts/update_version.py
index 4a5f60d8d8..fb9b15dd31 100644
--- a/scripts/update_version.py
+++ b/scripts/update_version.py
@@ -5,10 +5,10 @@
import json
import os
import re
-from datetime import date, datetime
-
+from datetime import date
from dateutil.relativedelta import relativedelta
+
import pybamm
@@ -16,12 +16,10 @@ def update_version():
"""
Opens file and updates the version number
"""
- current_year = datetime.now().strftime("%y")
- current_month = datetime.now().month
-
- release_version = f"{current_year}.{current_month}"
+ release_version = os.getenv("VERSION")[1:]
last_day_of_month = date.today() + relativedelta(day=31)
+
# pybamm/version.py
with open(os.path.join(pybamm.root_dir(), "pybamm", "version.py"), "r+") as file:
output = file.read()
@@ -41,23 +39,24 @@ def update_version():
file.write(replace_version)
# docs/source/_static/versions.json for readthedocs build
- with open(
- os.path.join(pybamm.root_dir(), "docs", "source", "_static", "versions.json"),
- "r+",
- ) as file:
- output = file.read()
- json_data = json.loads(output)
- json_data.insert(
- 2,
- {
- "name": f"v{release_version}",
- "version": f"{release_version}",
- "url": f"https://docs.pybamm.org/en/v{release_version}/",
- },
- )
- file.truncate(0)
- file.seek(0)
- file.write(json.dumps(json_data, indent=4))
+ if "rc" not in release_version:
+ with open(
+ os.path.join(pybamm.root_dir(), "docs", "_static", "versions.json"),
+ "r+",
+ ) as file:
+ output = file.read()
+ json_data = json.loads(output)
+ json_data.insert(
+ 2,
+ {
+ "name": f"v{release_version}",
+ "version": f"{release_version}",
+ "url": f"https://docs.pybamm.org/en/v{release_version}/",
+ },
+ )
+ file.truncate(0)
+ file.seek(0)
+ file.write(json.dumps(json_data, indent=4))
# vcpkg.json
with open(os.path.join(pybamm.root_dir(), "vcpkg.json"), "r+") as file:
@@ -90,40 +89,14 @@ def update_version():
with open(os.path.join(pybamm.root_dir(), "CHANGELOG.md"), "r+") as file:
output_list = file.readlines()
output_list[0] = changelog_line1
- output_list.insert(2, changelog_line2)
+ if "rc0" in release_version:
+ output_list.insert(2, changelog_line2)
+ else:
+ output_list[2] = changelog_line2
file.truncate(0)
file.seek(0)
file.writelines(output_list)
-def get_changelog():
- """
- Opens CHANGELOG.md and overrides the changelog with the latest version.
- Used in GitHub workflow to create the changelog for the GitHub release.
- """
- # This month
- now = datetime.now()
- current_year = now.strftime("%y")
- current_month = now.month
-
- # Previous month
- previous_date = datetime.now() + relativedelta(months=-1)
- previous_year = previous_date.strftime("%y")
- previous_month = previous_date.month
-
- current_version = re.escape(f"# [v{current_year}.{current_month}]")
- previous_version = re.escape(f"# [v{previous_year}.{previous_month}]")
-
- # Open CHANGELOG.md and keep the relevant lines
- with open(os.path.join(pybamm.root_dir(), "CHANGELOG.md"), "r+") as file:
- output = file.read()
- re_changelog = f"{current_version}.*?(##.*)(?={previous_version})"
- release_changelog = re.findall(re_changelog, output, re.DOTALL)[0]
- print(release_changelog)
- file.truncate(0)
- file.seek(0)
- file.write(release_changelog)
-
-
if __name__ == "__main__":
update_version()
diff --git a/tests/unit/test_experiments/test_simulation_with_experiment.py b/tests/unit/test_experiments/test_simulation_with_experiment.py
index 13531281de..6688fae5b1 100644
--- a/tests/unit/test_experiments/test_simulation_with_experiment.py
+++ b/tests/unit/test_experiments/test_simulation_with_experiment.py
@@ -38,8 +38,12 @@ def test_set_up(self):
[3600, 3 / Crate * 3600, 24 * 3600, 24 * 3600],
)
- model_I = sim.experiment_unique_steps_to_model[repr(op_conds[1])] # CC charge
- model_V = sim.experiment_unique_steps_to_model[repr(op_conds[2])] # CV hold
+ model_I = sim.experiment_unique_steps_to_model[
+ op_conds[1].basic_repr()
+ ] # CC charge
+ model_V = sim.experiment_unique_steps_to_model[
+ op_conds[2].basic_repr()
+ ] # CV hold
self.assertIn(
"Current cut-off [A] [experiment]",
[event.name for event in model_V.events],
@@ -729,6 +733,38 @@ def test_experiment_start_time_starting_solution(self):
# test that the final time is correct (i.e. starting solution correctly set)
self.assertEqual(new_solution["Time [s]"].entries[-1], 5400)
+ def test_experiment_start_time_identical_steps(self):
+ # Test that if we have the same step twice, with different start times,
+ # they get processed only once
+ model = pybamm.lithium_ion.SPM()
+
+ experiment = pybamm.Experiment(
+ [
+ pybamm.step.string(
+ "Discharge at C/2 for 10 minutes",
+ start_time=datetime(2023, 1, 1, 8, 0, 0),
+ ),
+ pybamm.step.string("Discharge at C/3 for 10 minutes"),
+ pybamm.step.string(
+ "Discharge at C/2 for 10 minutes",
+ start_time=datetime(2023, 1, 1, 10, 0, 0),
+ ),
+ pybamm.step.string("Discharge at C/3 for 10 minutes"),
+ ]
+ )
+
+ sim = pybamm.Simulation(model, experiment=experiment)
+ sim.solve(calc_esoh=False)
+
+ # Check that there are 4 steps
+ self.assertEqual(len(experiment.operating_conditions_steps), 4)
+
+ # Check that there are only 2 unique steps
+ self.assertEqual(len(sim.experiment.unique_steps), 2)
+
+ # Check that there are only 3 built models (unique steps + padding rest)
+ self.assertEqual(len(sim.op_conds_to_built_models), 3)
+
if __name__ == "__main__":
print("Add -v for more debug output")
diff --git a/tests/unit/test_parameters/test_bpx.py b/tests/unit/test_parameters/test_bpx.py
index 8288655b87..2559641d7e 100644
--- a/tests/unit/test_parameters/test_bpx.py
+++ b/tests/unit/test_parameters/test_bpx.py
@@ -9,7 +9,6 @@
import pybamm
import copy
-
class TestBPX(TestCase):
def setUp(self):
self.base = {
@@ -161,7 +160,26 @@ def test_constant_functions(self):
json.dump(bpx_obj, tmp)
tmp.flush()
- pybamm.ParameterValues.create_from_bpx(tmp.name)
+ param = pybamm.ParameterValues.create_from_bpx(tmp.name)
+
+ # Function to check that functional parameters output constants
+ def check_constant_output(func):
+ stos = [0, 1]
+ T = 298.15
+ p_vals = [func(sto, T) for sto in stos]
+ self.assertEqual(p_vals[0], p_vals[1])
+
+ for electrode in ["Negative", "Positive"]:
+ D = param[f"{electrode} electrode diffusivity [m2.s-1]"]
+ dUdT = param[f"{electrode} electrode OCP entropic change [V.K-1]"]
+ check_constant_output(D)
+ check_constant_output(dUdT)
+
+ kappa = param["Electrolyte conductivity [S.m-1]"]
+ De = param["Electrolyte diffusivity [m2.s-1]"]
+ check_constant_output(kappa)
+ check_constant_output(De)
+
def test_table_data(self):
bpx_obj = copy.copy(self.base)
@@ -222,6 +240,66 @@ def test_bpx_soc_error(self):
with self.assertRaisesRegex(ValueError, "Target SOC"):
pybamm.ParameterValues.create_from_bpx("blah.json", target_soc=10)
+ def test_bpx_arrhenius(self):
+ bpx_obj = copy.copy(self.base)
+
+ filename = "tmp.json"
+ with tempfile.NamedTemporaryFile(
+ suffix=filename, delete=False, mode="w"
+ ) as tmp:
+ # write to a tempory file so we can
+ # get the source later on using inspect.getsource
+ # (as long as the file still exists)
+ json.dump(bpx_obj, tmp)
+ tmp.flush()
+
+ pv = pybamm.ParameterValues.create_from_bpx(tmp.name)
+
+
+ def arrhenius_assertion(pv, param_key, Ea_key):
+ sto = 0.5
+ T = 300
+ c_e = 1000
+ c_s_surf = 15000
+ c_s_max = 20000
+ T_ref = pv["Reference temperature [K]"]
+ Ea = pv[Ea_key]
+
+ if "exchange-current" in param_key:
+ eval_ratio = (
+ pv[param_key](c_e, c_s_surf, c_s_max, T).value
+ / pv[param_key](c_e, c_s_surf, c_s_max, T_ref).value
+ )
+ else:
+ eval_ratio = (
+ pv[param_key](sto, T).value
+ / pv[param_key](sto, T_ref).value
+ )
+
+ calc_ratio = pybamm.exp(Ea / pybamm.constants.R * (1 / T_ref - 1 / T)).value
+
+ self.assertAlmostEqual(eval_ratio, calc_ratio)
+
+ param_keys = [
+ "Electrolyte conductivity [S.m-1]",
+ "Electrolyte diffusivity [m2.s-1]",
+ "Negative electrode diffusivity [m2.s-1]",
+ "Positive electrode diffusivity [m2.s-1]",
+ "Positive electrode exchange-current density [A.m-2]",
+ "Negative electrode exchange-current density [A.m-2]",
+ ]
+
+ Ea_keys = [
+ "Electrolyte conductivity activation energy [J.mol-1]",
+ "Electrolyte diffusivity activation energy [J.mol-1]",
+ "Negative electrode diffusivity activation energy [J.mol-1]",
+ "Positive electrode diffusivity activation energy [J.mol-1]",
+ "Positive electrode reaction rate constant activation energy [J.mol-1]",
+ "Negative electrode reaction rate constant activation energy [J.mol-1]",
+ ]
+
+ for param_key, Ea_key in zip(param_keys, Ea_keys):
+ arrhenius_assertion(pv, param_key, Ea_key)
if __name__ == "__main__":
print("Add -v for more debug output")
